smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001492592079 1069316658 /nfs/dbraw/zinc/31/66/58/1069316658.db2.gz VYANBMJHIHYHLP-UHFFFAOYSA-N 1 0 469.033 4.174 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001492592149 1069317356 /nfs/dbraw/zinc/31/73/56/1069317356.db2.gz CGJNIIQQYYLWSS-REWPJTCUSA-N 1 0 498.672 4.014 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300645610 1069319010 /nfs/dbraw/zinc/31/90/10/1069319010.db2.gz AIBGDUCEYMMWHR-RTBURBONSA-N 1 0 463.573 4.079 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492593706 1069335055 /nfs/dbraw/zinc/33/50/55/1069335055.db2.gz WZARKTOPQBTVMF-DEOSSOPVSA-N 1 0 459.642 4.438 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001300652290 1069339547 /nfs/dbraw/zinc/33/95/47/1069339547.db2.gz PONJEVDJDIDDIQ-PXDATVDWSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300658422 1069361280 /nfs/dbraw/zinc/36/12/80/1069361280.db2.gz DRGNGMPZEXEFQR-URXFXBBRSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300659413 1069364304 /nfs/dbraw/zinc/36/43/04/1069364304.db2.gz YFMJTMSUGKPLRH-ZBLYBZFDSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300659672 1069365095 /nfs/dbraw/zinc/36/50/95/1069365095.db2.gz FDXNWHJIDYTKEL-CVDCTZTESA-N 1 0 485.654 4.339 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300660295 1069367842 /nfs/dbraw/zinc/36/78/42/1069367842.db2.gz LMISCAZCQZHUQG-PMACEKPBSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300663079 1069380488 /nfs/dbraw/zinc/38/04/88/1069380488.db2.gz WBGCQOYFGGVVIK-CLLDFNAGSA-N 1 0 471.646 4.164 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)CC2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001300667781 1069392052 /nfs/dbraw/zinc/39/20/52/1069392052.db2.gz SPQOOMINLUIZRF-UHFFFAOYSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H]2CCSC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300668719 1069394812 /nfs/dbraw/zinc/39/48/12/1069394812.db2.gz LBRBJJXOWCDKNU-RTBURBONSA-N 1 0 461.701 4.253 20 0 JIADRO CCn1cnnc1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC001200724620 1069397270 /nfs/dbraw/zinc/39/72/70/1069397270.db2.gz ZSSQCSWQIHDHDD-UHFFFAOYSA-N 1 0 451.372 4.246 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001300670770 1069403947 /nfs/dbraw/zinc/40/39/47/1069403947.db2.gz XFFZSXIAOKNFEF-NJDAHSKKSA-N 1 0 473.687 4.051 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC=C(C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300675291 1069418432 /nfs/dbraw/zinc/41/84/32/1069418432.db2.gz GLWYLXWKKZMZHD-NRFANRHFSA-N 1 0 471.671 4.236 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001359347262 1069419723 /nfs/dbraw/zinc/41/97/23/1069419723.db2.gz HSWXKBDGOXJWBV-QFHABUONSA-N 1 0 466.674 4.058 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001359348317 1069424383 /nfs/dbraw/zinc/42/43/83/1069424383.db2.gz DRRYXTIARYCKKL-VFHYMGCCSA-N 1 0 474.653 4.160 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001359349099 1069425045 /nfs/dbraw/zinc/42/50/45/1069425045.db2.gz QQMDBDAHVYRBAV-QYPNQAIESA-N 1 0 450.631 4.033 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359350038 1069428426 /nfs/dbraw/zinc/42/84/26/1069428426.db2.gz QDZKYAIHQHWIKB-HSZRJFAPSA-N 1 0 484.664 4.364 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359351564 1069433987 /nfs/dbraw/zinc/43/39/87/1069433987.db2.gz QIXGIEQMJJGJJI-OAQYLSRUSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359356046 1069442318 /nfs/dbraw/zinc/44/23/18/1069442318.db2.gz FIVHHYNZJROAAB-HXUWFJFHSA-N 1 0 473.065 4.168 20 0 JIADRO FC(F)(F)c1ccc(C[NH+]2CCC(NC(=S)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC001200736664 1069443731 /nfs/dbraw/zinc/44/37/31/1069443731.db2.gz PXEIMCVKPXNNNC-UHFFFAOYSA-N 1 0 451.514 4.063 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359361637 1069452729 /nfs/dbraw/zinc/45/27/29/1069452729.db2.gz HSSZOXYVVDDJNR-HSZRJFAPSA-N 1 0 494.709 4.124 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359373661 1069478153 /nfs/dbraw/zinc/47/81/53/1069478153.db2.gz DPBNMFBUFRNMQZ-QHCPKHFHSA-N 1 0 496.700 4.358 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359374318 1069479147 /nfs/dbraw/zinc/47/91/47/1069479147.db2.gz YTHGYPYRXOFLGW-FQEVSTJZSA-N 1 0 491.080 4.087 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@@H]2C)CC1 ZINC001359380512 1069485709 /nfs/dbraw/zinc/48/57/09/1069485709.db2.gz NGBHRWQQWBDOIC-WIOPSUGQSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[NH+]2CCCCCC2)CC1 ZINC001359378219 1069482820 /nfs/dbraw/zinc/48/28/20/1069482820.db2.gz GNKIAKAWYDYGHB-UHFFFAOYSA-N 1 0 496.700 4.224 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC001359380367 1069485114 /nfs/dbraw/zinc/48/51/14/1069485114.db2.gz KLGAHRUZSPIGAR-TYBLODHISA-N 1 0 498.691 4.188 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001359383172 1069487599 /nfs/dbraw/zinc/48/75/99/1069487599.db2.gz VBZRCKBGCLKONT-RBUKOAKNSA-N 1 0 489.064 4.003 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001359382879 1069487640 /nfs/dbraw/zinc/48/76/40/1069487640.db2.gz PCUGUVPKMUVBJT-FYYLOGMGSA-N 1 0 496.700 4.356 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC12CCCCC2 ZINC001359391728 1069497526 /nfs/dbraw/zinc/49/75/26/1069497526.db2.gz AWKGELLAXNBWNI-QFIPXVFZSA-N 1 0 458.695 4.113 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)[C@@H](C)C1 ZINC001359396801 1069502016 /nfs/dbraw/zinc/50/20/16/1069502016.db2.gz LZXVCNCOFSFUMU-CVDCTZTESA-N 1 0 498.722 4.300 20 0 JIADRO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001359407914 1069517504 /nfs/dbraw/zinc/51/75/04/1069517504.db2.gz XIMUGBRSANYTET-UHFFFAOYSA-N 1 0 452.647 4.184 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359412290 1069531705 /nfs/dbraw/zinc/53/17/05/1069531705.db2.gz QREVKXGBIRZZRM-BBHUYCHWSA-N 1 0 464.614 4.033 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001359413266 1069533519 /nfs/dbraw/zinc/53/35/19/1069533519.db2.gz UINLOYHJGHHLIK-VHYCJAOWSA-N 1 0 468.690 4.362 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001359423569 1069548072 /nfs/dbraw/zinc/54/80/72/1069548072.db2.gz LUDQLQZXOJPHGR-SONWIMMPSA-N 1 0 496.700 4.029 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359423660 1069548080 /nfs/dbraw/zinc/54/80/80/1069548080.db2.gz NZXNHWUQZJSCFG-WIOPSUGQSA-N 1 0 480.701 4.069 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359426373 1069552102 /nfs/dbraw/zinc/55/21/02/1069552102.db2.gz FOIMLNRGQYWHPN-DEOSSOPVSA-N 1 0 480.701 4.468 20 0 JIADRO CC(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001359429297 1069553966 /nfs/dbraw/zinc/55/39/66/1069553966.db2.gz AWSWUNQIBXFYJP-UHFFFAOYSA-N 1 0 466.674 4.004 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359427507 1069554078 /nfs/dbraw/zinc/55/40/78/1069554078.db2.gz XNZROCWRRQDTKN-PMACEKPBSA-N 1 0 487.092 4.462 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001359435709 1069563474 /nfs/dbraw/zinc/56/34/74/1069563474.db2.gz CCOFVVUJKKWPLE-GGAORHGYSA-N 1 0 458.695 4.016 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359442944 1069574616 /nfs/dbraw/zinc/57/46/16/1069574616.db2.gz KDDWSSWYIGOEBU-UHFFFAOYSA-N 1 0 498.691 4.119 20 0 JIADRO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359455370 1069580722 /nfs/dbraw/zinc/58/07/22/1069580722.db2.gz NWYWAUNQQFBSHC-UHFFFAOYSA-N 1 0 454.663 4.079 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359463318 1069585986 /nfs/dbraw/zinc/58/59/86/1069585986.db2.gz HKRFLPVQTPDDBG-IBGZPJMESA-N 1 0 474.719 4.425 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359463396 1069586282 /nfs/dbraw/zinc/58/62/82/1069586282.db2.gz KAQRREJUVABTCE-QHCPKHFHSA-N 1 0 498.697 4.480 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccccc2)n1CC[NH+]1CCCCCC1 ZINC001359463485 1069586998 /nfs/dbraw/zinc/58/69/98/1069586998.db2.gz NHHMILIQKIXXCN-UHFFFAOYSA-N 1 0 480.682 4.334 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359463560 1069587595 /nfs/dbraw/zinc/58/75/95/1069587595.db2.gz QBYUCYIETZSCQV-SFHVURJKSA-N 1 0 472.703 4.179 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359463559 1069587736 /nfs/dbraw/zinc/58/77/36/1069587736.db2.gz QBYUCYIETZSCQV-GOSISDBHSA-N 1 0 472.703 4.179 20 0 JIADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001359489532 1069684701 /nfs/dbraw/zinc/68/47/01/1069684701.db2.gz CQKFXSRVRXXYPR-XMMPIXPASA-N 1 0 480.701 4.070 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001359505043 1069775237 /nfs/dbraw/zinc/77/52/37/1069775237.db2.gz NPUJVJLKAAMKIE-IBGZPJMESA-N 1 0 480.579 4.272 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359520095 1069807572 /nfs/dbraw/zinc/80/75/72/1069807572.db2.gz ZBFFJAWBVXQJAE-WOJBJXKFSA-N 1 0 461.054 4.103 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359525480 1069815158 /nfs/dbraw/zinc/81/51/58/1069815158.db2.gz DWKDQDSFTUHOHO-UHFFFAOYSA-N 1 0 461.695 4.296 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001359532057 1069824931 /nfs/dbraw/zinc/82/49/31/1069824931.db2.gz HMEMSURARJNBQF-UHFFFAOYSA-N 1 0 475.628 4.469 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCCn1cc(Br)cn1 ZINC001359535709 1069829953 /nfs/dbraw/zinc/82/99/53/1069829953.db2.gz XHSUKPSPOIBJRD-HXUWFJFHSA-N 1 0 492.510 4.371 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001359540848 1069838180 /nfs/dbraw/zinc/83/81/80/1069838180.db2.gz INBPTRAUSBRLPI-UHFFFAOYSA-N 1 0 484.645 4.071 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359541315 1069838520 /nfs/dbraw/zinc/83/85/20/1069838520.db2.gz WSHZAPRHCCZYNR-IPMKNSEASA-N 1 0 457.585 4.319 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001300794515 1069845786 /nfs/dbraw/zinc/84/57/86/1069845786.db2.gz FAYRHJYEOFRPAC-XQBPLPMBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[C@@H]1C ZINC001300794969 1069847196 /nfs/dbraw/zinc/84/71/96/1069847196.db2.gz LUXBTXKAFNAGIG-ABSDTBQOSA-N 1 0 479.467 4.161 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001359547177 1069851990 /nfs/dbraw/zinc/85/19/90/1069851990.db2.gz FFGKOHQPAKKRRS-UHFFFAOYSA-N 1 0 454.569 4.149 20 0 JIADRO CC(C)(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359545908 1069849217 /nfs/dbraw/zinc/84/92/17/1069849217.db2.gz KNWBDWVHZJHVNQ-NRFANRHFSA-N 1 0 473.637 4.371 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001359546245 1069849897 /nfs/dbraw/zinc/84/98/97/1069849897.db2.gz WCDIKQWCLOPXPZ-UHFFFAOYSA-N 1 0 492.590 4.139 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001359546966 1069851678 /nfs/dbraw/zinc/85/16/78/1069851678.db2.gz WEHCXOHRPHBETC-HXUWFJFHSA-N 1 0 458.651 4.412 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001359547452 1069852942 /nfs/dbraw/zinc/85/29/42/1069852942.db2.gz PWGWAFZVYPTPDP-PMACEKPBSA-N 1 0 498.638 4.327 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001359547882 1069853865 /nfs/dbraw/zinc/85/38/65/1069853865.db2.gz FPEMIOSIFVDBSC-JLAWEPINSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359548926 1069856976 /nfs/dbraw/zinc/85/69/76/1069856976.db2.gz WCTQXGJCYCKOLX-UHFFFAOYSA-N 1 0 490.624 4.328 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001359548223 1069854888 /nfs/dbraw/zinc/85/48/88/1069854888.db2.gz RZGAQDVHLDKZJL-SFHVURJKSA-N 1 0 466.552 4.292 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccsc2Br)CC1 ZINC001359548485 1069855088 /nfs/dbraw/zinc/85/50/88/1069855088.db2.gz COSUXSXEZBDKJW-UHFFFAOYSA-N 1 0 489.487 4.447 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccccn2)CC1 ZINC001359549546 1069857564 /nfs/dbraw/zinc/85/75/64/1069857564.db2.gz SRDDYHQLJWANQF-UHFFFAOYSA-N 1 0 469.431 4.266 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001359549416 1069857418 /nfs/dbraw/zinc/85/74/18/1069857418.db2.gz OOCOVCQCCTVEGU-UHFFFAOYSA-N 1 0 466.552 4.241 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001359558051 1069876990 /nfs/dbraw/zinc/87/69/90/1069876990.db2.gz WALNJVQKMYXURE-WOJBJXKFSA-N 1 0 460.667 4.040 20 0 JIADRO CC(C)(C)OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359583255 1070009542 /nfs/dbraw/zinc/00/95/42/1070009542.db2.gz KMNZRYOTZPJUDL-KRWDZBQOSA-N 1 0 479.467 4.163 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359590899 1070029880 /nfs/dbraw/zinc/02/98/80/1070029880.db2.gz MMSBDKFYFRIXPV-YUYWZBKDSA-N 1 0 485.742 4.313 20 0 JIADRO CC(C)(Cn1c(COc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCC1 ZINC001359599010 1070056058 /nfs/dbraw/zinc/05/60/58/1070056058.db2.gz WAIWUKQYNBAAKY-UHFFFAOYSA-N 1 0 461.651 4.450 20 0 JIADRO CC(C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359602771 1070062905 /nfs/dbraw/zinc/06/29/05/1070062905.db2.gz TYBAFICKVPCURZ-UHFFFAOYSA-N 1 0 452.430 4.478 20 0 JIADRO CC(C)=CCCn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359613461 1070079389 /nfs/dbraw/zinc/07/93/89/1070079389.db2.gz XIECNHFLBGYGPL-IGKIAQTJSA-N 1 0 467.658 4.386 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359615015 1070082575 /nfs/dbraw/zinc/08/25/75/1070082575.db2.gz AGLVJAPGUSBGPF-UHFFFAOYSA-N 1 0 498.691 4.357 20 0 JIADRO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001359616688 1070086131 /nfs/dbraw/zinc/08/61/31/1070086131.db2.gz HGSKYOGCIUCOHK-UHFFFAOYSA-N 1 0 491.055 4.164 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359620329 1070092671 /nfs/dbraw/zinc/09/26/71/1070092671.db2.gz OVSUMDBWHAFDOW-DEOSSOPVSA-N 1 0 480.701 4.470 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359621377 1070096356 /nfs/dbraw/zinc/09/63/56/1070096356.db2.gz JTADZSFBSXBROS-DENIHFKCSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001359626608 1070121407 /nfs/dbraw/zinc/12/14/07/1070121407.db2.gz QFIQIWFEUJQSEA-RTWAWAEBSA-N 1 0 486.730 4.463 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359631193 1070149754 /nfs/dbraw/zinc/14/97/54/1070149754.db2.gz SUCSQPQHTMTOSB-IBGZPJMESA-N 1 0 491.055 4.212 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001359655587 1070226709 /nfs/dbraw/zinc/22/67/09/1070226709.db2.gz YTNPHHRZDNWAEN-OAQYLSRUSA-N 1 0 494.728 4.052 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C(C)C)CC1 ZINC001359656332 1070233749 /nfs/dbraw/zinc/23/37/49/1070233749.db2.gz NVJJDHWPIRLOSA-GOSISDBHSA-N 1 0 493.071 4.455 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001359658666 1070257816 /nfs/dbraw/zinc/25/78/16/1070257816.db2.gz GNIVJNSLKVTKNB-LVCYWYKZSA-N 1 0 476.463 4.442 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001359658679 1070258329 /nfs/dbraw/zinc/25/83/29/1070258329.db2.gz GWTJGTXHBOLHDK-HXUWFJFHSA-N 1 0 484.998 4.245 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001359658815 1070260985 /nfs/dbraw/zinc/26/09/85/1070260985.db2.gz JIJUYKNJOJBJRC-HXUWFJFHSA-N 1 0 464.079 4.287 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001359658912 1070261432 /nfs/dbraw/zinc/26/14/32/1070261432.db2.gz LMKZGKAZSRMRNV-LQWHRVPQSA-N 1 0 464.079 4.286 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001359658914 1070262072 /nfs/dbraw/zinc/26/20/72/1070262072.db2.gz LMKZGKAZSRMRNV-UEXGIBASSA-N 1 0 464.079 4.286 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC001359660748 1070273596 /nfs/dbraw/zinc/27/35/96/1070273596.db2.gz WQCVAHAXZGIKKW-NRFANRHFSA-N 1 0 476.547 4.285 20 0 JIADRO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359662272 1070282626 /nfs/dbraw/zinc/28/26/26/1070282626.db2.gz WMIHPNGITHWANB-VXKWHMMOSA-N 1 0 489.064 4.368 20 0 JIADRO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCCC1 ZINC001359661883 1070279622 /nfs/dbraw/zinc/27/96/22/1070279622.db2.gz QDHHFOPVBGHLEQ-GOTSBHOMSA-N 1 0 459.610 4.294 20 0 JIADRO CC(C)[C@@H](Cn1c(C2CC2)nnc1N1CC[NH+](CCc2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001359662207 1070281146 /nfs/dbraw/zinc/28/11/46/1070281146.db2.gz VJUFQMWRAXPODY-OAQYLSRUSA-N 1 0 488.702 4.131 20 0 JIADRO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359664794 1070293119 /nfs/dbraw/zinc/29/31/19/1070293119.db2.gz MGRFKNOUPOUUPL-HSZRJFAPSA-N 1 0 488.721 4.434 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001359665351 1070296581 /nfs/dbraw/zinc/29/65/81/1070296581.db2.gz XTJHWKDFSSXMFV-QFIPXVFZSA-N 1 0 472.559 4.438 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc(Cc4ccncc4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001359669677 1070311452 /nfs/dbraw/zinc/31/14/52/1070311452.db2.gz SEKZOQBUOOKVAS-UYAOXDASSA-N 1 0 453.660 4.178 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001359671296 1070315694 /nfs/dbraw/zinc/31/56/94/1070315694.db2.gz OCYRHCGSRGDFDP-LEWJYISDSA-N 1 0 473.666 4.181 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC001359674938 1070327001 /nfs/dbraw/zinc/32/70/01/1070327001.db2.gz ANRSVIDLTSRGMI-FGZHOGPDSA-N 1 0 467.593 4.121 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001359678268 1070333100 /nfs/dbraw/zinc/33/31/00/1070333100.db2.gz ANEFNBZXYOWUDM-URXFXBBRSA-N 1 0 461.658 4.400 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001492596576 1070337901 /nfs/dbraw/zinc/33/79/01/1070337901.db2.gz SPPBRVUQTSXMIG-LADGPHEKSA-N 1 0 454.663 4.131 20 0 JIADRO CC(C)c1nnc(N(C)CCCc2ccccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001359684535 1070339957 /nfs/dbraw/zinc/33/99/57/1070339957.db2.gz HSXBZQMGFLFCOA-HSZRJFAPSA-N 1 0 461.658 4.076 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC(F)(F)c1ccccc1 ZINC001359685918 1070341600 /nfs/dbraw/zinc/34/16/00/1070341600.db2.gz KZIAQVLQIRFTOO-SIKLNZKXSA-N 1 0 471.600 4.446 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001359691885 1070349628 /nfs/dbraw/zinc/34/96/28/1070349628.db2.gz AYSWJJKFTYNJBF-UXHICEINSA-N 1 0 450.672 4.260 20 0 JIADRO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359692089 1070350119 /nfs/dbraw/zinc/35/01/19/1070350119.db2.gz HDIWOOYAWRAGSR-UGKGYDQZSA-N 1 0 453.553 4.234 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359699794 1070362542 /nfs/dbraw/zinc/36/25/42/1070362542.db2.gz RPYJXPJUXHJEAB-HSZRJFAPSA-N 1 0 470.637 4.060 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359706670 1070372733 /nfs/dbraw/zinc/37/27/33/1070372733.db2.gz FGVIYKXCWCDKDB-REWPJTCUSA-N 1 0 480.682 4.412 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315460201 1064272652 /nfs/dbraw/zinc/27/26/52/1064272652.db2.gz RZHHXXZSIXFDIS-HFMPRLQTSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC001315462577 1064280025 /nfs/dbraw/zinc/28/00/25/1064280025.db2.gz IEJPLVJTBNRKGG-UHFFFAOYSA-N 1 0 466.630 4.090 20 0 JIADRO COc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)cc1OC ZINC001315466820 1064297196 /nfs/dbraw/zinc/29/71/96/1064297196.db2.gz CIVSQNGCWIWHIJ-RCZVLFRGSA-N 1 0 499.700 4.235 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001315472817 1064313566 /nfs/dbraw/zinc/31/35/66/1064313566.db2.gz RLOLAHKKJLZQSF-UHFFFAOYSA-N 1 0 452.603 4.049 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1C ZINC001315474253 1064317345 /nfs/dbraw/zinc/31/73/45/1064317345.db2.gz FMNOOLHBUPHVIL-QFIPXVFZSA-N 1 0 485.673 4.015 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001315473856 1064317521 /nfs/dbraw/zinc/31/75/21/1064317521.db2.gz MPSLQLPBCAQXBF-NRFANRHFSA-N 1 0 476.581 4.198 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001315474134 1064318937 /nfs/dbraw/zinc/31/89/37/1064318937.db2.gz LKXIUGUYHRFLGF-QFIPXVFZSA-N 1 0 454.594 4.188 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)cc1OC ZINC001315474348 1064319702 /nfs/dbraw/zinc/31/97/02/1064319702.db2.gz DEKNJHLZKMKSQV-UHFFFAOYSA-N 1 0 485.673 4.165 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC001315474256 1064319715 /nfs/dbraw/zinc/31/97/15/1064319715.db2.gz FOWKAJHWSCXFSZ-FPOVZHCZSA-N 1 0 459.610 4.221 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC001315476050 1064326349 /nfs/dbraw/zinc/32/63/49/1064326349.db2.gz QQUDMXJFRMFUCZ-SKPFHBQLSA-N 1 0 471.646 4.238 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)cc1O ZINC001315476201 1064326563 /nfs/dbraw/zinc/32/65/63/1064326563.db2.gz SPIPFBDPDVNXFA-FQEVSTJZSA-N 1 0 453.587 4.257 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1O ZINC001315476173 1064326723 /nfs/dbraw/zinc/32/67/23/1064326723.db2.gz UWISDBPXMWXOJP-UHFFFAOYSA-N 1 0 485.032 4.466 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCCC2)c(OC)c1 ZINC001315476293 1064327547 /nfs/dbraw/zinc/32/75/47/1064327547.db2.gz YAQWVYZYVLTHBY-UHFFFAOYSA-N 1 0 464.614 4.178 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001315477152 1064329825 /nfs/dbraw/zinc/32/98/25/1064329825.db2.gz XFJKNWNXIJWPQU-HXUWFJFHSA-N 1 0 464.614 4.116 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)C[NH+]2CCCC2)cc1O ZINC001315480555 1064340051 /nfs/dbraw/zinc/34/00/51/1064340051.db2.gz WLNKHPBRYACZDH-UHFFFAOYSA-N 1 0 469.655 4.403 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC001315486013 1064356279 /nfs/dbraw/zinc/35/62/79/1064356279.db2.gz NNMUZFFBTOZOLG-HXUWFJFHSA-N 1 0 476.463 4.498 20 0 JIADRO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(F)c1 ZINC001315490846 1064374214 /nfs/dbraw/zinc/37/42/14/1064374214.db2.gz DRCNQPDESYBPTM-UHFFFAOYSA-N 1 0 452.578 4.155 20 0 JIADRO COc1ccc(Cn2c(N3CC[NH+](C4CCCCC4)CC3)nnc2C(C)(C)C)c(OC)c1OC ZINC001315505475 1064419859 /nfs/dbraw/zinc/41/98/59/1064419859.db2.gz CWRIKUFKQXTDJQ-UHFFFAOYSA-N 1 0 471.646 4.104 20 0 JIADRO COc1ccc(COCCn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001315508991 1064434298 /nfs/dbraw/zinc/43/42/98/1064434298.db2.gz PJAQCPQXHSZCIU-NRFANRHFSA-N 1 0 455.647 4.293 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315509474 1064437009 /nfs/dbraw/zinc/43/70/09/1064437009.db2.gz CMQCFUBMCKZNKC-LJQANCHMSA-N 1 0 469.033 4.294 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315514937 1064460681 /nfs/dbraw/zinc/46/06/81/1064460681.db2.gz ZNOSKSCDKBYPHC-UHFFFAOYSA-N 1 0 455.006 4.361 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001315519000 1064476230 /nfs/dbraw/zinc/47/62/30/1064476230.db2.gz GDRAQLMKOUZLNW-ZRBLBEILSA-N 1 0 499.700 4.278 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001315520658 1064483891 /nfs/dbraw/zinc/48/38/91/1064483891.db2.gz QPBAHOPJLLXZTR-OAQYLSRUSA-N 1 0 455.647 4.407 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001315526188 1064502054 /nfs/dbraw/zinc/50/20/54/1064502054.db2.gz DLWKYFHAMDVKIZ-UHFFFAOYSA-N 1 0 484.670 4.389 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001315529967 1064512132 /nfs/dbraw/zinc/51/21/32/1064512132.db2.gz RSVISZCOHHTSBV-NHCUHLMSSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001315532349 1064519290 /nfs/dbraw/zinc/51/92/90/1064519290.db2.gz HDXQYIUKDUVXKS-QZTJIDSGSA-N 1 0 467.536 4.129 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001315532432 1064519885 /nfs/dbraw/zinc/51/98/85/1064519885.db2.gz CRQSDDVHESATQK-UHFFFAOYSA-N 1 0 494.640 4.017 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001315532517 1064519974 /nfs/dbraw/zinc/51/99/74/1064519974.db2.gz AKCMOHRGNYXZCA-HSZRJFAPSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001315533062 1064520985 /nfs/dbraw/zinc/52/09/85/1064520985.db2.gz CDAZNZQPKUOXOR-SANMLTNESA-N 1 0 471.646 4.137 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2C[C@H](C)SC)cc1 ZINC001315538246 1064531725 /nfs/dbraw/zinc/53/17/25/1064531725.db2.gz PYZUARQPXOERPE-FQEVSTJZSA-N 1 0 473.687 4.320 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](SC)C2)[NH+](C)C)c1 ZINC001315546363 1064553935 /nfs/dbraw/zinc/55/39/35/1064553935.db2.gz HEKVAMUXNRXGRA-GMAHTHKFSA-N 1 0 466.655 4.374 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](SC)C2)[NH+](C)C)c1 ZINC001315546362 1064554244 /nfs/dbraw/zinc/55/42/44/1064554244.db2.gz HEKVAMUXNRXGRA-GGAORHGYSA-N 1 0 466.655 4.374 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N(C)CCOC(C)(C)C)[NH+](C)C)c1 ZINC001315546776 1064555015 /nfs/dbraw/zinc/55/50/15/1064555015.db2.gz JQDYGJBXRXOXCQ-NRFANRHFSA-N 1 0 455.603 4.409 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2cc(C)on2)[NH+](C)C)c1 ZINC001315547791 1064558705 /nfs/dbraw/zinc/55/87/05/1064558705.db2.gz DQMXWHOJFBNHKP-QFIPXVFZSA-N 1 0 466.611 4.175 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001315549473 1064564407 /nfs/dbraw/zinc/56/44/07/1064564407.db2.gz QLTIMWWLBGREGZ-FQEVSTJZSA-N 1 0 482.698 4.486 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnc(C)s2)[NH+](C)C)c1 ZINC001315549860 1064565702 /nfs/dbraw/zinc/56/57/02/1064565702.db2.gz SREHZIGEFNVWDD-JOCHJYFZSA-N 1 0 497.694 4.347 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315550608 1064567219 /nfs/dbraw/zinc/56/72/19/1064567219.db2.gz YALZBVUFYBDXSN-DENIHFKCSA-N 1 0 453.587 4.101 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315559809 1064584341 /nfs/dbraw/zinc/58/43/41/1064584341.db2.gz WYTHGTUUMZKROU-IFMALSPDSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC2([NH+](C)C)CCC2)c1 ZINC001315560540 1064586191 /nfs/dbraw/zinc/58/61/91/1064586191.db2.gz SKYYUQJFKMEWRR-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC[C@H](SC)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001315562275 1064589125 /nfs/dbraw/zinc/58/91/25/1064589125.db2.gz FYZCYDCLVWZFIH-NZQKXSOJSA-N 1 0 461.701 4.113 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(OC)CCC(C)CC2)c1 ZINC001315562946 1064589957 /nfs/dbraw/zinc/58/99/57/1064589957.db2.gz JYUSXCIKTCWRHU-UHFFFAOYSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001315564642 1064595267 /nfs/dbraw/zinc/59/52/67/1064595267.db2.gz WTGFUISPWZVMHZ-JTHBVZDNSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001315565238 1064596220 /nfs/dbraw/zinc/59/62/20/1064596220.db2.gz WBLACIWSGGLSPU-SFHVURJKSA-N 1 0 481.563 4.091 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315567674 1064600712 /nfs/dbraw/zinc/60/07/12/1064600712.db2.gz RTETVOOUGCCPQP-QTEQDKRBSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315567675 1064600814 /nfs/dbraw/zinc/60/08/14/1064600814.db2.gz RTETVOOUGCCPQP-VIZSFHNOSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001315567874 1064601541 /nfs/dbraw/zinc/60/15/41/1064601541.db2.gz UGQFNIUQOFONGM-IEBWSBKVSA-N 1 0 481.544 4.086 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315569469 1064608127 /nfs/dbraw/zinc/60/81/27/1064608127.db2.gz HPAXGUCNXLSINW-OFNKIYASSA-N 1 0 470.662 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001315569574 1064608825 /nfs/dbraw/zinc/60/88/25/1064608825.db2.gz IWXRUGMZRRIOSY-GOSISDBHSA-N 1 0 481.563 4.233 20 0 JIADRO COc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315573887 1064626363 /nfs/dbraw/zinc/62/63/63/1064626363.db2.gz BCZKQQPUIXATIH-DCFHFQCYSA-N 1 0 491.640 4.081 20 0 JIADRO COc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315573888 1064626406 /nfs/dbraw/zinc/62/64/06/1064626406.db2.gz BCZKQQPUIXATIH-HRFSGMKKSA-N 1 0 491.640 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001315576506 1064633647 /nfs/dbraw/zinc/63/36/47/1064633647.db2.gz ZZNCEWVFVXIWLU-TZIWHRDSSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)c1 ZINC001315577917 1064638422 /nfs/dbraw/zinc/63/84/22/1064638422.db2.gz QEAUQRVSZSAYOX-QHCPKHFHSA-N 1 0 487.714 4.110 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315591274 1064680440 /nfs/dbraw/zinc/68/04/40/1064680440.db2.gz KLAYXIRORHBLRZ-TZIWHRDSSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[NH+]1CCC(C)CC1 ZINC001315591278 1064680582 /nfs/dbraw/zinc/68/05/82/1064680582.db2.gz LDFWGSNVPQRCPR-IBGZPJMESA-N 1 0 454.644 4.382 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315592219 1064684231 /nfs/dbraw/zinc/68/42/31/1064684231.db2.gz UCAJGTADWHIMPU-FPOVZHCZSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315594979 1064693405 /nfs/dbraw/zinc/69/34/05/1064693405.db2.gz WXKCKMMAAKXDQF-FQEVSTJZSA-N 1 0 455.628 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315597248 1064699704 /nfs/dbraw/zinc/69/97/04/1064699704.db2.gz QBUYBUAXVRESBE-DENIHFKCSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315597337 1064700241 /nfs/dbraw/zinc/70/02/41/1064700241.db2.gz CNKHOIJPRUXDTK-HXUWFJFHSA-N 1 0 455.647 4.061 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCNC(=O)C(C)C ZINC001315600065 1064707139 /nfs/dbraw/zinc/70/71/39/1064707139.db2.gz YGUYKLUHUQDTFT-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315601121 1064709748 /nfs/dbraw/zinc/70/97/48/1064709748.db2.gz VEVAGHSDUQNLEI-KMRXNPHXSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315603422 1064715231 /nfs/dbraw/zinc/71/52/31/1064715231.db2.gz DKFYZPXYRLJQET-LVXARBLLSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315605216 1064719041 /nfs/dbraw/zinc/71/90/41/1064719041.db2.gz QHYACPRVNYIHST-OAQYLSRUSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315607974 1064726494 /nfs/dbraw/zinc/72/64/94/1064726494.db2.gz VBFNGVMKNXAMIV-FQEVSTJZSA-N 1 0 494.606 4.150 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001315608290 1064726731 /nfs/dbraw/zinc/72/67/31/1064726731.db2.gz WFNPOUALVUMPFM-GOTSBHOMSA-N 1 0 466.674 4.305 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315612896 1064735069 /nfs/dbraw/zinc/73/50/69/1064735069.db2.gz KWMJEIYJAWFKSH-ZFGGDYGUSA-N 1 0 455.647 4.499 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001315613498 1064737058 /nfs/dbraw/zinc/73/70/58/1064737058.db2.gz PLVVVGCEMBNALQ-VXKWHMMOSA-N 1 0 469.674 4.106 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001315615378 1064740952 /nfs/dbraw/zinc/74/09/52/1064740952.db2.gz YLWNMIBLOCBNEN-OAQYLSRUSA-N 1 0 469.674 4.105 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315615507 1064741129 /nfs/dbraw/zinc/74/11/29/1064741129.db2.gz HWYDEBGJGZQSBU-FYYLOGMGSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(F)(F)F)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001315616083 1064742878 /nfs/dbraw/zinc/74/28/78/1064742878.db2.gz QUSDWYKRESJCEP-GOSISDBHSA-N 1 0 463.504 4.306 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001315616901 1064744939 /nfs/dbraw/zinc/74/49/39/1064744939.db2.gz BUWAUMMBVMIICO-HDICACEKSA-N 1 0 483.579 4.011 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315620167 1064753707 /nfs/dbraw/zinc/75/37/07/1064753707.db2.gz HDMQYDFZLXFHAJ-QDPGVEIFSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315622362 1064758646 /nfs/dbraw/zinc/75/86/46/1064758646.db2.gz YMGXJHFEVSZDHO-NDEPHWFRSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H](C)OC ZINC001315622439 1064759521 /nfs/dbraw/zinc/75/95/21/1064759521.db2.gz NMFWKPMZTMEOCC-OAQYLSRUSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315623759 1064762480 /nfs/dbraw/zinc/76/24/80/1064762480.db2.gz CAASTMWBZLRIPS-NRFANRHFSA-N 1 0 488.474 4.487 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001315623873 1064763242 /nfs/dbraw/zinc/76/32/42/1064763242.db2.gz DROFGPANYANRBW-UHFFFAOYSA-N 1 0 498.716 4.081 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001315631293 1064781956 /nfs/dbraw/zinc/78/19/56/1064781956.db2.gz MVPFTTGIGWLGLM-LEWJYISDSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1CC1([NH+](C)C)CCCCC1 ZINC001315633823 1064789013 /nfs/dbraw/zinc/78/90/13/1064789013.db2.gz AWXXEFQTGVCDGH-UHFFFAOYSA-N 1 0 450.631 4.236 20 0 JIADRO COc1ccccc1CCn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001315636768 1064794559 /nfs/dbraw/zinc/79/45/59/1064794559.db2.gz QJKLOAVRYCIBGE-NDEPHWFRSA-N 1 0 499.700 4.128 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315639687 1064800408 /nfs/dbraw/zinc/80/04/08/1064800408.db2.gz PZMXREYEGXFGAJ-RTBURBONSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315642990 1064808307 /nfs/dbraw/zinc/80/83/07/1064808307.db2.gz KBPSACWUZBAZGK-FCHUYYIVSA-N 1 0 468.690 4.027 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315647578 1064822364 /nfs/dbraw/zinc/82/23/64/1064822364.db2.gz NIENFDNCGTVAFC-WOJBJXKFSA-N 1 0 453.587 4.216 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315649352 1064826855 /nfs/dbraw/zinc/82/68/55/1064826855.db2.gz LTAYNNYORAYZQX-HXUWFJFHSA-N 1 0 466.630 4.308 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315652025 1064834279 /nfs/dbraw/zinc/83/42/79/1064834279.db2.gz JXMVIKACLCCBFR-OALUTQOASA-N 1 0 485.654 4.234 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315652497 1064835446 /nfs/dbraw/zinc/83/54/46/1064835446.db2.gz SXFJTVJDPFAWLK-HSALFYBXSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315654543 1064841543 /nfs/dbraw/zinc/84/15/43/1064841543.db2.gz QVCMMIXOUAGNJC-HSZRJFAPSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315654826 1064843001 /nfs/dbraw/zinc/84/30/01/1064843001.db2.gz SJSZMACAQJMOED-RDGATRHJSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001315656426 1064847367 /nfs/dbraw/zinc/84/73/67/1064847367.db2.gz OMCMOLBPWWOZKG-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCSC(C)C ZINC001315656874 1064847888 /nfs/dbraw/zinc/84/78/88/1064847888.db2.gz QNIQLJMRDPRKRV-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(OC)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315661785 1064862526 /nfs/dbraw/zinc/86/25/26/1064862526.db2.gz JGIBFFOINXVUAN-KBMIEXCESA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001315663834 1064872239 /nfs/dbraw/zinc/87/22/39/1064872239.db2.gz DWQSHVOKTXXLCH-FQRUVTKNSA-N 1 0 487.714 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001315665882 1064880190 /nfs/dbraw/zinc/88/01/90/1064880190.db2.gz KGCSNHMRVGQXBB-BWKNWUBXSA-N 1 0 487.714 4.418 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315665877 1064880212 /nfs/dbraw/zinc/88/02/12/1064880212.db2.gz UBTAZECEHQYJMH-LEWJYISDSA-N 1 0 486.730 4.087 20 0 JIADRO COc1ccccc1SCc1nnc(Nc2ccn(C)n2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315669350 1064896017 /nfs/dbraw/zinc/89/60/17/1064896017.db2.gz HXQHYMXCFKBAHL-SFHVURJKSA-N 1 0 455.632 4.177 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001315669683 1064897421 /nfs/dbraw/zinc/89/74/21/1064897421.db2.gz XTPMZADEONUXCM-HXUWFJFHSA-N 1 0 461.676 4.028 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315669645 1064897460 /nfs/dbraw/zinc/89/74/60/1064897460.db2.gz WHLVWZZHAKSSPO-LJQANCHMSA-N 1 0 461.701 4.397 20 0 JIADRO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001315677163 1064915022 /nfs/dbraw/zinc/91/50/22/1064915022.db2.gz AOAIECNJIGWDJI-JOCHJYFZSA-N 1 0 462.642 4.277 20 0 JIADRO COC1CCC(CCn2c(CC(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC001315680393 1064923145 /nfs/dbraw/zinc/92/31/45/1064923145.db2.gz VEDRGETWPHZBPG-UHFFFAOYSA-N 1 0 459.704 4.498 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001315703792 1064968989 /nfs/dbraw/zinc/96/89/89/1064968989.db2.gz LPIIRMOAENHVPA-YADHBBJMSA-N 1 0 477.694 4.193 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)c2cccc(O)c2)CC1 ZINC001315704427 1064971384 /nfs/dbraw/zinc/97/13/84/1064971384.db2.gz IHDPSEAGJXSPOD-GOSISDBHSA-N 1 0 498.697 4.426 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315704852 1064972496 /nfs/dbraw/zinc/97/24/96/1064972496.db2.gz XNZZMPWMUUIJOK-FQEVSTJZSA-N 1 0 461.601 4.419 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001315705726 1064975639 /nfs/dbraw/zinc/97/56/39/1064975639.db2.gz SPSKGHHDXWMNJH-UHFFFAOYSA-N 1 0 471.049 4.495 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC2CC2)CC1 ZINC001315706176 1064976853 /nfs/dbraw/zinc/97/68/53/1064976853.db2.gz RTBXQAMRWRUPNN-UHFFFAOYSA-N 1 0 455.647 4.210 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001315706205 1064977309 /nfs/dbraw/zinc/97/73/09/1064977309.db2.gz SKOPSBKQLNGMLU-GOSISDBHSA-N 1 0 495.590 4.367 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315706344 1064977367 /nfs/dbraw/zinc/97/73/67/1064977367.db2.gz DHJZRRRSJKLCKH-DNVJHFABSA-N 1 0 461.695 4.468 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315706942 1064979789 /nfs/dbraw/zinc/97/97/89/1064979789.db2.gz GFVCZMCXAQMPJM-NHCUHLMSSA-N 1 0 494.105 4.196 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001315713488 1064999160 /nfs/dbraw/zinc/99/91/60/1064999160.db2.gz MMVUMDKWRTWZIN-NNMXDRDESA-N 1 0 462.038 4.419 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC[C@H]1C ZINC001315718236 1065011173 /nfs/dbraw/zinc/01/11/73/1065011173.db2.gz ZIULSSHHMBXRCX-LSTHTHJFSA-N 1 0 479.467 4.017 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315728688 1065025317 /nfs/dbraw/zinc/02/53/17/1065025317.db2.gz LDIHIOLOVUKHBR-LEWJYISDSA-N 1 0 457.619 4.234 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[C@@H]1C ZINC001315729656 1065026708 /nfs/dbraw/zinc/02/67/08/1065026708.db2.gz GICNMCGEXPEKRM-AGDMDRQQSA-N 1 0 453.675 4.293 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)CC[C@H]1C ZINC001315730340 1065027958 /nfs/dbraw/zinc/02/79/58/1065027958.db2.gz HBXQGFZUIWRSDU-FYYLOGMGSA-N 1 0 471.715 4.142 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001315730676 1065028587 /nfs/dbraw/zinc/02/85/87/1065028587.db2.gz VAFMBZCHOJWQGL-SQJMNOBHSA-N 1 0 462.642 4.014 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001315732482 1065030458 /nfs/dbraw/zinc/03/04/58/1065030458.db2.gz PCAXNSRMXQJDDN-ZEQRLZLVSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC[C@H]1C ZINC001315735737 1065037456 /nfs/dbraw/zinc/03/74/56/1065037456.db2.gz MAUOQKVSNKVPHW-ZFGGDYGUSA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001315736118 1065038319 /nfs/dbraw/zinc/03/83/19/1065038319.db2.gz MTUGBEIOHCUQJO-RXVVDRJESA-N 1 0 462.038 4.104 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1(C)C ZINC001315736568 1065038976 /nfs/dbraw/zinc/03/89/76/1065038976.db2.gz PMKLMYAMNFESBG-GGAORHGYSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC[C@@H]1C ZINC001315738518 1065044798 /nfs/dbraw/zinc/04/47/98/1065044798.db2.gz YQPKYTZRIVSXJP-GMAHTHKFSA-N 1 0 455.647 4.149 20 0 JIADRO COCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001315769138 1065088351 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COCCO[C@@H](C)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001316183065 1065866063 /nfs/dbraw/zinc/86/60/63/1065866063.db2.gz HDWFBQZPNWTNFQ-PGRDOPGGSA-N 1 0 491.080 4.124 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001316187198 1065874336 /nfs/dbraw/zinc/87/43/36/1065874336.db2.gz FBROAUGTJAMBAQ-MSOLQXFVSA-N 1 0 461.573 4.045 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001316195713 1065890052 /nfs/dbraw/zinc/89/00/52/1065890052.db2.gz AKGHKXWVMHVFLW-HXUWFJFHSA-N 1 0 473.637 4.184 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001316196090 1065890541 /nfs/dbraw/zinc/89/05/41/1065890541.db2.gz CUUAZYYGVXVIFF-IBGZPJMESA-N 1 0 492.734 4.309 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001316201235 1065898800 /nfs/dbraw/zinc/89/88/00/1065898800.db2.gz PNXLOKFUHFXBPN-FCHUYYIVSA-N 1 0 455.647 4.077 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001316218361 1065930621 /nfs/dbraw/zinc/93/06/21/1065930621.db2.gz XCUJXEYDEKHUSZ-GOSISDBHSA-N 1 0 498.594 4.022 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316218600 1065931482 /nfs/dbraw/zinc/93/14/82/1065931482.db2.gz RSBLHNFGYPDDQG-XMGTWHOFSA-N 1 0 495.590 4.301 20 0 JIADRO COCCOc1ccccc1Cn1c(C2CCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316225002 1065942722 /nfs/dbraw/zinc/94/27/22/1065942722.db2.gz BVARKCZHTDIRLG-UHFFFAOYSA-N 1 0 455.647 4.177 20 0 JIADRO COCCOc1ccccc1Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001316227661 1065947396 /nfs/dbraw/zinc/94/73/96/1065947396.db2.gz PXEPTUNRYABHBC-OAQYLSRUSA-N 1 0 455.647 4.141 20 0 JIADRO COCCOc1cc(C)ccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316230651 1065954357 /nfs/dbraw/zinc/95/43/57/1065954357.db2.gz ZOHNIMVGPQRDSW-UHFFFAOYSA-N 1 0 499.059 4.342 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001316237737 1065973356 /nfs/dbraw/zinc/97/33/56/1065973356.db2.gz WTDKGWMASVFTTQ-HSZRJFAPSA-N 1 0 476.065 4.352 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001316240914 1065980395 /nfs/dbraw/zinc/98/03/95/1065980395.db2.gz IEHMKLHHTYCQFQ-NQIIRXRSSA-N 1 0 494.036 4.344 20 0 JIADRO COCCOCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001316251376 1065994990 /nfs/dbraw/zinc/99/49/90/1065994990.db2.gz VFFUCHYBGYNVTG-XMMPIXPASA-N 1 0 469.674 4.143 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316269485 1066012671 /nfs/dbraw/zinc/01/26/71/1066012671.db2.gz ISLXBAXSRFJJDP-WAGURGNTSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316271637 1066017081 /nfs/dbraw/zinc/01/70/81/1066017081.db2.gz IPWFAZDTUMLBBC-LRQRDZAKSA-N 1 0 491.061 4.051 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316273815 1066021971 /nfs/dbraw/zinc/02/19/71/1066021971.db2.gz RFOLKDUZGCPHJT-TZYAJKAJSA-N 1 0 473.637 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316274397 1066023940 /nfs/dbraw/zinc/02/39/40/1066023940.db2.gz SNPHSBCMFSAVEX-PMVMPFDFSA-N 1 0 455.647 4.464 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1CC(C)(C)C[NH+](C)C ZINC001316284464 1066040684 /nfs/dbraw/zinc/04/06/84/1066040684.db2.gz XNKIDWRMAKCMIK-OHCFRWENSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001316285390 1066042029 /nfs/dbraw/zinc/04/20/29/1066042029.db2.gz NZHHQGKFFBFPBP-PXNSSMCTSA-N 1 0 474.477 4.410 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001316288591 1066047180 /nfs/dbraw/zinc/04/71/80/1066047180.db2.gz RPSOXPZICSYKAQ-NBKJOAOTSA-N 1 0 491.721 4.154 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001316302421 1066062886 /nfs/dbraw/zinc/06/28/86/1066062886.db2.gz OPQPHZYNJILDLG-WIYBCGNWSA-N 1 0 483.648 4.384 20 0 JIADRO CON(C)c1nnc(-c2ccccc2Br)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316306480 1066066022 /nfs/dbraw/zinc/06/60/22/1066066022.db2.gz MRRXYYLBQAKYQM-UHFFFAOYSA-N 1 0 480.476 4.457 20 0 JIADRO CON(C)c1nnc(COc2cc(C)ccc2C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001316309746 1066067099 /nfs/dbraw/zinc/06/70/99/1066067099.db2.gz LAAQUDGPZOOYHL-UHFFFAOYSA-N 1 0 455.628 4.445 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001316313373 1066069376 /nfs/dbraw/zinc/06/93/76/1066069376.db2.gz CTJLHYNFURFHMK-PZJWPPBQSA-N 1 0 460.022 4.175 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316313314 1066069476 /nfs/dbraw/zinc/06/94/76/1066069476.db2.gz BFMSVXVCYKWDAH-SXSPYAJSSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001316315440 1066071558 /nfs/dbraw/zinc/07/15/58/1066071558.db2.gz LCVMACNKRVYYLQ-RBUKOAKNSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316322586 1066077973 /nfs/dbraw/zinc/07/79/73/1066077973.db2.gz VOPPOMGBDLHIOH-ZFGGDYGUSA-N 1 0 499.700 4.268 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316324775 1066081541 /nfs/dbraw/zinc/08/15/41/1066081541.db2.gz ZMQQFCLPOPZXJE-QHCPKHFHSA-N 1 0 455.647 4.470 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316330151 1066086093 /nfs/dbraw/zinc/08/60/93/1066086093.db2.gz VXNWHZHXJWTIGS-RBBKRZOGSA-N 1 0 467.614 4.410 20 0 JIADRO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCCC(F)(F)F)c1 ZINC001316337363 1066091966 /nfs/dbraw/zinc/09/19/66/1066091966.db2.gz VAKOBFPJBATQDG-GOSISDBHSA-N 1 0 499.603 4.003 20 0 JIADRO CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316380276 1066148005 /nfs/dbraw/zinc/14/80/05/1066148005.db2.gz FNUGBQJHZHVXAW-LJQANCHMSA-N 1 0 454.619 4.251 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316384630 1066153851 /nfs/dbraw/zinc/15/38/51/1066153851.db2.gz WJEQDCZNOOGTKB-UWJYYQICSA-N 1 0 456.685 4.096 20 0 JIADRO CS[C@H](Cn1c(C(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316388424 1066160613 /nfs/dbraw/zinc/16/06/13/1066160613.db2.gz MFSDNDJIUDWUEI-OAQYLSRUSA-N 1 0 450.741 4.174 20 0 JIADRO CS[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316389051 1066161568 /nfs/dbraw/zinc/16/15/68/1066161568.db2.gz YREWYFOGBQEOOU-WOJBJXKFSA-N 1 0 490.743 4.114 20 0 JIADRO CS[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316393579 1066168928 /nfs/dbraw/zinc/16/89/28/1066168928.db2.gz IZJZSKORYIOZGC-SKWRMQMOSA-N 1 0 493.762 4.275 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316397880 1066175594 /nfs/dbraw/zinc/17/55/94/1066175594.db2.gz GOGDTYYBNFDTOL-UHFFFAOYSA-N 1 0 480.723 4.113 20 0 JIADRO CSC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H]2CCCOC2)CC[NH+](C)CC1 ZINC001316398740 1066176546 /nfs/dbraw/zinc/17/65/46/1066176546.db2.gz NBQDSYFLQRPVDN-PMACEKPBSA-N 1 0 491.677 4.247 20 0 JIADRO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316400745 1066178284 /nfs/dbraw/zinc/17/82/84/1066178284.db2.gz WEPALOCIOXTENI-JOCHJYFZSA-N 1 0 474.719 4.380 20 0 JIADRO CS[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316401172 1066178939 /nfs/dbraw/zinc/17/89/39/1066178939.db2.gz YPBZEQXFMPKLDG-HXUWFJFHSA-N 1 0 493.121 4.320 20 0 JIADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC[NH+](C)CC1 ZINC001316402510 1066181162 /nfs/dbraw/zinc/18/11/62/1066181162.db2.gz QWAZUMVPYSWIEO-IAGOWNOFSA-N 1 0 450.052 4.040 20 0 JIADRO CSC1(Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316403680 1066184984 /nfs/dbraw/zinc/18/49/84/1066184984.db2.gz GAICGBKKRXNKEU-TYFQNXAESA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)o2)CC[NH+](C)CC1 ZINC001316404541 1066186143 /nfs/dbraw/zinc/18/61/43/1066186143.db2.gz YFYNJYMCBUCKBC-UHFFFAOYSA-N 1 0 479.448 4.093 20 0 JIADRO CSC1(Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316404729 1066186740 /nfs/dbraw/zinc/18/67/40/1066186740.db2.gz PUXKUDNZBUEIDX-XRSWDHFMSA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316407700 1066191655 /nfs/dbraw/zinc/19/16/55/1066191655.db2.gz QOVKBGFPCCCEOH-UHFFFAOYSA-N 1 0 494.750 4.045 20 0 JIADRO CSC1(Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC001316407925 1066191734 /nfs/dbraw/zinc/19/17/34/1066191734.db2.gz IGKRAGPOOARPGH-UHFFFAOYSA-N 1 0 485.101 4.424 20 0 JIADRO CSC1(Cn2c(COc3ccc(F)cc3)nnc2N(C)CC2CC(F)(F)C2)CC[NH+](C)CC1 ZINC001316409621 1066195255 /nfs/dbraw/zinc/19/52/55/1066195255.db2.gz FLSLPFYEGJCLTI-UHFFFAOYSA-N 1 0 483.604 4.305 20 0 JIADRO CSC1(Cn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC[NH+](C)CC1 ZINC001316409896 1066196458 /nfs/dbraw/zinc/19/64/58/1066196458.db2.gz KNYMUEXNDINMTL-UHFFFAOYSA-N 1 0 483.604 4.305 20 0 JIADRO CSC1(Cn2c(N3CCCN(c4ccccc4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316412199 1066202257 /nfs/dbraw/zinc/20/22/57/1066202257.db2.gz YQNUXLFVFZMFDE-UHFFFAOYSA-N 1 0 456.704 4.120 20 0 JIADRO CNC(=O)Cc1ccccc1NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001324577352 1066223230 /nfs/dbraw/zinc/22/32/30/1066223230.db2.gz JESDMHCMEQTMPO-UHFFFAOYSA-N 1 0 463.409 4.412 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316420526 1066224996 /nfs/dbraw/zinc/22/49/96/1066224996.db2.gz USIZWWIZQMKNRF-FQEVSTJZSA-N 1 0 493.681 4.406 20 0 JIADRO CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001316421025 1066226178 /nfs/dbraw/zinc/22/61/78/1066226178.db2.gz LLJPMBXVZGAYGK-UHFFFAOYSA-N 1 0 454.619 4.478 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC001324750905 1066228505 /nfs/dbraw/zinc/22/85/05/1066228505.db2.gz TYLOVZVDSQXVGT-ATEJDMMGSA-N 1 0 493.648 4.345 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316421913 1066229807 /nfs/dbraw/zinc/22/98/07/1066229807.db2.gz IHMHOSOHICVSDE-IRLDBZIGSA-N 1 0 493.681 4.168 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001316422970 1066233127 /nfs/dbraw/zinc/23/31/27/1066233127.db2.gz KURQSVAKIOBJSF-SJLPKXTDSA-N 1 0 467.481 4.098 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001316426164 1066244689 /nfs/dbraw/zinc/24/46/89/1066244689.db2.gz VXQZUNBNVRYJEX-SFHVURJKSA-N 1 0 484.695 4.112 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427025 1066249987 /nfs/dbraw/zinc/24/99/87/1066249987.db2.gz FEPUNBULTNRAED-PKTZIBPZSA-N 1 0 468.646 4.428 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492499537 1066250432 /nfs/dbraw/zinc/25/04/32/1066250432.db2.gz QVHFJSNPXJZWEH-GPQDTSNOSA-N 1 0 494.709 4.390 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001325500274 1066252972 /nfs/dbraw/zinc/25/29/72/1066252972.db2.gz WDNFGUVXTFJZBK-XLGIIRLISA-N 1 0 462.638 4.269 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316428141 1066254886 /nfs/dbraw/zinc/25/48/86/1066254886.db2.gz NGNKLKBRVYNISJ-NIRIFSCTSA-N 1 0 456.704 4.496 20 0 JIADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC001325686523 1066263414 /nfs/dbraw/zinc/26/34/14/1066263414.db2.gz YNNJZQNUZXQBEL-UHFFFAOYSA-O 1 0 482.607 4.192 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001316430681 1066266614 /nfs/dbraw/zinc/26/66/14/1066266614.db2.gz PTLVUNCFBMGFNM-XZOQPEGZSA-N 1 0 485.677 4.304 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492499702 1066274626 /nfs/dbraw/zinc/27/46/26/1066274626.db2.gz VAOBIVMZPPTWJJ-XSJBNIOMSA-N 1 0 480.682 4.143 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001492500133 1066275337 /nfs/dbraw/zinc/27/53/37/1066275337.db2.gz RGEGMAJCJZBIIN-UHFFFAOYSA-N 1 0 488.558 4.151 20 0 JIADRO O=C(COC(=O)c1csc(-c2ccco2)n1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326025282 1066281755 /nfs/dbraw/zinc/28/17/55/1066281755.db2.gz OHSYDJSICDWAKS-GOSISDBHSA-N 1 0 459.955 4.167 20 0 JIADRO CSCc1cccc(Cn2c(CC(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001316434922 1066283922 /nfs/dbraw/zinc/28/39/22/1066283922.db2.gz SNRVCSNNVFQPLW-UHFFFAOYSA-N 1 0 484.758 4.383 20 0 JIADRO CSCc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001316435531 1066286792 /nfs/dbraw/zinc/28/67/92/1066286792.db2.gz ZMOWEKQMNAKYDO-HSZRJFAPSA-N 1 0 471.715 4.327 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001316437525 1066290634 /nfs/dbraw/zinc/29/06/34/1066290634.db2.gz BRWJJDYNWLQCFY-FCHUYYIVSA-N 1 0 478.106 4.211 20 0 JIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001326469733 1066298172 /nfs/dbraw/zinc/29/81/72/1066298172.db2.gz HKVXZTZQHJWEBN-AREMUKBSSA-N 1 0 476.596 4.369 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492502439 1066303726 /nfs/dbraw/zinc/30/37/26/1066303726.db2.gz WBZRXSPYBBLTCN-OAQYLSRUSA-N 1 0 470.662 4.138 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001316442387 1066304716 /nfs/dbraw/zinc/30/47/16/1066304716.db2.gz KWHOHPQMDPEQEX-HBMCJLEFSA-N 1 0 494.750 4.499 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316443983 1066310102 /nfs/dbraw/zinc/31/01/02/1066310102.db2.gz HARWFHMTUMNZKC-RXVVDRJESA-N 1 0 484.670 4.195 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001327091512 1066310532 /nfs/dbraw/zinc/31/05/32/1066310532.db2.gz VMRPRGGKMGSPFV-ZWKOTPCHSA-N 1 0 460.447 4.407 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001327149882 1066311297 /nfs/dbraw/zinc/31/12/97/1066311297.db2.gz ATADZGATOMQZOY-GNNRUUDYSA-N 1 0 465.682 4.263 20 0 JIADRO CCOC(=O)c1sc2[nH]c([C@H](C)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)nc(=O)c2c1C ZINC001327321631 1066314877 /nfs/dbraw/zinc/31/48/77/1066314877.db2.gz SZCDMZDVYOKWFQ-SFHVURJKSA-N 1 0 468.623 4.047 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001316447002 1066319880 /nfs/dbraw/zinc/31/98/80/1066319880.db2.gz NSHZHYKXKSSDGA-SFHVURJKSA-N 1 0 465.111 4.202 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316447572 1066322023 /nfs/dbraw/zinc/32/20/23/1066322023.db2.gz ZTJKEDNQYYIVBY-SLFFLAALSA-N 1 0 460.692 4.114 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001316448654 1066324175 /nfs/dbraw/zinc/32/41/75/1066324175.db2.gz WWDBTYYGMDLUTH-XDHUDOTRSA-N 1 0 489.686 4.457 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492506457 1066326726 /nfs/dbraw/zinc/32/67/26/1066326726.db2.gz OPOFXVFSTRHDCH-UHFFFAOYSA-N 1 0 495.716 4.386 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492507042 1066329899 /nfs/dbraw/zinc/32/98/99/1066329899.db2.gz XJELHDSPBRKGNE-XUZZJYLKSA-N 1 0 495.716 4.146 20 0 JIADRO CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316453660 1066338730 /nfs/dbraw/zinc/33/87/30/1066338730.db2.gz BUBVOTUCSDGGFF-QFIPXVFZSA-N 1 0 476.735 4.140 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)C2)ccn1 ZINC001329441325 1066338977 /nfs/dbraw/zinc/33/89/77/1066338977.db2.gz HSADBVDRUFVMET-RUZDIDTESA-N 1 0 496.615 4.438 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492510511 1066341266 /nfs/dbraw/zinc/34/12/66/1066341266.db2.gz TUBFXUIYEQXEAS-OAQYLSRUSA-N 1 0 485.677 4.261 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492511495 1066344827 /nfs/dbraw/zinc/34/48/27/1066344827.db2.gz ADWKLHUWLPNIAC-NRFANRHFSA-N 1 0 480.579 4.174 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCCCNC(=O)OC(C)(C)C)n1 ZINC001492511547 1066345529 /nfs/dbraw/zinc/34/55/29/1066345529.db2.gz BOYCHBMUWUKHCS-JOCHJYFZSA-N 1 0 497.688 4.266 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492513323 1066352692 /nfs/dbraw/zinc/35/26/92/1066352692.db2.gz AHMWANSBXYQJNT-PMACEKPBSA-N 1 0 480.579 4.317 20 0 JIADRO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316461077 1066356577 /nfs/dbraw/zinc/35/65/77/1066356577.db2.gz AEPRQFPKIGCAFV-OAQYLSRUSA-N 1 0 461.651 4.167 20 0 JIADRO CSCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001316462571 1066359533 /nfs/dbraw/zinc/35/95/33/1066359533.db2.gz QGIXXZGTGIWVRK-UHFFFAOYSA-N 1 0 453.660 4.195 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492515899 1066362771 /nfs/dbraw/zinc/36/27/71/1066362771.db2.gz ICCRQXAEOINHBV-QHCPKHFHSA-N 1 0 483.611 4.150 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001316465443 1066365374 /nfs/dbraw/zinc/36/53/74/1066365374.db2.gz MVOQKIJTZDWXDA-GOSISDBHSA-N 1 0 481.508 4.252 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001316466195 1066367806 /nfs/dbraw/zinc/36/78/06/1066367806.db2.gz SWLSDJQWYFLEQR-UHFFFAOYSA-N 1 0 477.476 4.335 20 0 JIADRO CSCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316468150 1066372997 /nfs/dbraw/zinc/37/29/97/1066372997.db2.gz ZQEPDSNNAYKSQW-QFIPXVFZSA-N 1 0 487.714 4.307 20 0 JIADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854118 1066379738 /nfs/dbraw/zinc/37/97/38/1066379738.db2.gz VCCOZSSWCXTTAK-NFBKMPQASA-N 1 0 478.662 4.013 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492518640 1066379891 /nfs/dbraw/zinc/37/98/91/1066379891.db2.gz LWYHSIRXVHVKBB-NRYAXDJKSA-N 1 0 493.622 4.232 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492519697 1066383183 /nfs/dbraw/zinc/38/31/83/1066383183.db2.gz TVIHISWKIBCMCS-DHIUTWEWSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492520854 1066388280 /nfs/dbraw/zinc/38/82/80/1066388280.db2.gz WNHGYJYXHPKNTO-LVXARBLLSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001492522366 1066390403 /nfs/dbraw/zinc/39/04/03/1066390403.db2.gz OPOUNEIQBQUYSQ-OXQOHEQNSA-N 1 0 458.532 4.393 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001316480596 1066395188 /nfs/dbraw/zinc/39/51/88/1066395188.db2.gz RSXVLPDRYMRODH-REWPJTCUSA-N 1 0 455.647 4.176 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1O ZINC001316480973 1066396134 /nfs/dbraw/zinc/39/61/34/1066396134.db2.gz XILAGFMSPXBWON-XLIONFOSSA-N 1 0 476.463 4.179 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316487496 1066411093 /nfs/dbraw/zinc/41/10/93/1066411093.db2.gz OMDGDEORXQDAPC-NQIIRXRSSA-N 1 0 497.669 4.150 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489362 1066420508 /nfs/dbraw/zinc/42/05/08/1066420508.db2.gz MWHBWPXWLOOZDO-RARDXLECSA-N 1 0 469.527 4.249 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490304 1066423782 /nfs/dbraw/zinc/42/37/82/1066423782.db2.gz QCKXBQYAOFXGNV-MAODMQOUSA-N 1 0 476.522 4.341 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCCO ZINC001316492650 1066432045 /nfs/dbraw/zinc/43/20/45/1066432045.db2.gz PMZJXNLOLFCAGE-OAQYLSRUSA-N 1 0 469.674 4.095 20 0 JIADRO C[C@H](Cn1c(C2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001316493629 1066435912 /nfs/dbraw/zinc/43/59/12/1066435912.db2.gz BGBJYDKFUVTWAT-LJQANCHMSA-N 1 0 468.646 4.170 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@H](C)C1(F)F ZINC001316495654 1066442277 /nfs/dbraw/zinc/44/22/77/1066442277.db2.gz FPWZVFSFVHSCCQ-XQBPLPMBSA-N 1 0 475.628 4.308 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CC=CCC2)C[C@H](C)C1(F)F ZINC001316501701 1066462585 /nfs/dbraw/zinc/46/25/85/1066462585.db2.gz UIVVEWFWKBLDLR-CALCHBBNSA-N 1 0 451.512 4.137 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)F ZINC001316503678 1066470825 /nfs/dbraw/zinc/47/08/25/1066470825.db2.gz CMARSRCQVRHMFN-KRWDZBQOSA-N 1 0 465.564 4.494 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CC[N@H+](C)C1CCCCC1 ZINC001316508677 1066489005 /nfs/dbraw/zinc/48/90/05/1066489005.db2.gz YBHILFDVJLICMV-IBGZPJMESA-N 1 0 459.610 4.264 20 0 JIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001337535571 1066491383 /nfs/dbraw/zinc/49/13/83/1066491383.db2.gz VKBTTXVTJMXDKI-JOCHJYFZSA-N 1 0 464.953 4.260 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(F)(F)c2ccccc2)CC1 ZINC001316514896 1066508476 /nfs/dbraw/zinc/50/84/76/1066508476.db2.gz MUXYCHVLMHJMNK-UHFFFAOYSA-N 1 0 487.517 4.429 20 0 JIADRO FC(F)C(F)(F)COCCn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316516145 1066512279 /nfs/dbraw/zinc/51/22/79/1066512279.db2.gz HZPITCJEXZGUQX-KRWDZBQOSA-N 1 0 461.548 4.165 20 0 JIADRO FC(F)(F)SCCn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001316517527 1066518263 /nfs/dbraw/zinc/51/82/63/1066518263.db2.gz RNKIEPLSIGLOQP-UHFFFAOYSA-N 1 0 476.572 4.229 20 0 JIADRO FC1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316519100 1066521949 /nfs/dbraw/zinc/52/19/49/1066521949.db2.gz NITKMZUROUKHRQ-UHFFFAOYSA-N 1 0 458.376 4.267 20 0 JIADRO FC1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001316520564 1066525243 /nfs/dbraw/zinc/52/52/43/1066525243.db2.gz ZAYKOWDYRRKXNA-UHFFFAOYSA-N 1 0 454.363 4.429 20 0 JIADRO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)ccc2C)c(C)c1 ZINC001338046200 1066527224 /nfs/dbraw/zinc/52/72/24/1066527224.db2.gz JPUVOIASOQFPMD-JOCHJYFZSA-N 1 0 455.624 4.031 20 0 JIADRO Fc1ccc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001316522890 1066531116 /nfs/dbraw/zinc/53/11/16/1066531116.db2.gz JAOUKSCVFUZEKT-UHFFFAOYSA-N 1 0 451.512 4.439 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CC=CCC1 ZINC001316525689 1066540308 /nfs/dbraw/zinc/54/03/08/1066540308.db2.gz KPBHCNLSLAZRHL-FQEVSTJZSA-N 1 0 495.565 4.455 20 0 JIADRO F[C@@H]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001316526418 1066541773 /nfs/dbraw/zinc/54/17/73/1066541773.db2.gz JMCQVUDONLBWDS-WOJBJXKFSA-N 1 0 475.575 4.240 20 0 JIADRO CCOc1ccc([C@@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C(C)C)cc1OCC ZINC001338574730 1066565155 /nfs/dbraw/zinc/56/51/55/1066565155.db2.gz LUBRVADFQNAEQS-SANMLTNESA-N 1 0 468.642 4.432 20 0 JIADRO COc1cccc([C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)[NH+]2CCCC2)c1 ZINC001339700098 1066578486 /nfs/dbraw/zinc/57/84/86/1066578486.db2.gz AJMZILMRXFGYQB-RTBURBONSA-N 1 0 450.004 4.330 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492535046 1066583261 /nfs/dbraw/zinc/58/32/61/1066583261.db2.gz YLYREGMFLOWBJI-HSZRJFAPSA-N 1 0 482.673 4.432 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492536564 1066588718 /nfs/dbraw/zinc/58/87/18/1066588718.db2.gz BLRQJFIFXRLUKS-YPAWHYETSA-N 1 0 455.647 4.147 20 0 JIADRO Cc1cc(-c2cc(C(=O)OC[C@H]3C[N@H+](CC(C)C)CCO3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001341820945 1066589663 /nfs/dbraw/zinc/58/96/63/1066589663.db2.gz KUSAAJVRUUEAJT-LJQANCHMSA-N 1 0 454.571 4.403 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585906 1066608625 /nfs/dbraw/zinc/60/86/25/1066608625.db2.gz YIPBJYUFMQRKET-FUHWJXTLSA-N 1 0 485.982 4.456 20 0 JIADRO OCCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316589314 1066617948 /nfs/dbraw/zinc/61/79/48/1066617948.db2.gz XODMUUUQRUTLAN-UHFFFAOYSA-N 1 0 450.002 4.355 20 0 JIADRO Cc1nc(CSCC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC001317718458 1066645829 /nfs/dbraw/zinc/64/58/29/1066645829.db2.gz OWBVTQKYXGBBMV-UHFFFAOYSA-N 1 0 452.649 4.123 20 0 JIADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001346274725 1066658912 /nfs/dbraw/zinc/65/89/12/1066658912.db2.gz XWGNHLUHVYMYBI-HZPDHXFCSA-N 1 0 494.027 4.046 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001492543127 1066664038 /nfs/dbraw/zinc/66/40/38/1066664038.db2.gz ATBYFGDTYXZLRG-UHFFFAOYSA-N 1 0 469.674 4.276 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001492543309 1066665710 /nfs/dbraw/zinc/66/57/10/1066665710.db2.gz HOWMORRUBHXMLG-ZEQRLZLVSA-N 1 0 469.674 4.273 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492544082 1066678740 /nfs/dbraw/zinc/67/87/40/1066678740.db2.gz GJQDYCLXFRJLOV-HSZRJFAPSA-N 1 0 467.614 4.455 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3c(Br)cccc3Br)cc2)CC1 ZINC001347694560 1066686135 /nfs/dbraw/zinc/68/61/35/1066686135.db2.gz YVMJXJIYHLBYIJ-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001317787451 1066688476 /nfs/dbraw/zinc/68/84/76/1066688476.db2.gz MVVLRVOKTFWQBA-UHFFFAOYSA-N 1 0 499.036 4.453 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492544689 1066708667 /nfs/dbraw/zinc/70/86/67/1066708667.db2.gz VVSSCQNDPNPLDT-AKFKNWHVSA-N 1 0 455.647 4.147 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC001348046425 1066715270 /nfs/dbraw/zinc/71/52/70/1066715270.db2.gz DLWCCHBJECEJCY-QHCPKHFHSA-N 1 0 452.599 4.026 20 0 JIADRO COc1cccc(NC(=O)COc2ccc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2)c1 ZINC001317853102 1066734195 /nfs/dbraw/zinc/73/41/95/1066734195.db2.gz UCGURIVTAOLGKP-UHFFFAOYSA-N 1 0 477.561 4.042 20 0 JIADRO CCOC(=O)CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC001348303083 1066735065 /nfs/dbraw/zinc/73/50/65/1066735065.db2.gz RXAHFSATRQBGQX-UHFFFAOYSA-N 1 0 452.617 4.392 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2ccc(C3OCCO3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001348303476 1066735597 /nfs/dbraw/zinc/73/55/97/1066735597.db2.gz ZQLFHLMFPRRIPK-UHFFFAOYSA-N 1 0 458.580 4.382 20 0 JIADRO O=C(NCCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1C(F)(F)F ZINC001317871119 1066745071 /nfs/dbraw/zinc/74/50/71/1066745071.db2.gz HGIMBDSYENCWFA-UHFFFAOYSA-N 1 0 484.522 4.116 20 0 JIADRO C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001348475493 1066747728 /nfs/dbraw/zinc/74/77/28/1066747728.db2.gz FVORWMIOOQDKOS-UWJYYQICSA-N 1 0 484.021 4.323 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC(C[NH+]4CCCCCC4)CC3)c2)n1 ZINC001317893079 1066762621 /nfs/dbraw/zinc/76/26/21/1066762621.db2.gz BKKBCIOEJZPYDK-UHFFFAOYSA-N 1 0 453.587 4.169 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546063 1066768028 /nfs/dbraw/zinc/76/80/28/1066768028.db2.gz RBOWCFRAJDUPCX-XZOQPEGZSA-N 1 0 469.674 4.396 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CCOc3cc(Cl)ccc3Cl)cc2)CC1 ZINC001348731474 1066773364 /nfs/dbraw/zinc/77/33/64/1066773364.db2.gz ZUPIXCPZDWMVNH-UHFFFAOYSA-N 1 0 480.392 4.086 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001317915131 1066783563 /nfs/dbraw/zinc/78/35/63/1066783563.db2.gz WKYUFWITFKAWCF-OAQYLSRUSA-N 1 0 488.632 4.279 20 0 JIADRO O=C(COc1ccc(Cl)cc1Br)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001317924911 1066789347 /nfs/dbraw/zinc/78/93/47/1066789347.db2.gz AOYZULNNRLEGJM-UHFFFAOYSA-N 1 0 480.834 4.200 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC001348918578 1066790122 /nfs/dbraw/zinc/79/01/22/1066790122.db2.gz FGORZOXJDYFDBN-VJBMBRPKSA-N 1 0 456.631 4.193 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)CC2)cc1 ZINC001317945698 1066803705 /nfs/dbraw/zinc/80/37/05/1066803705.db2.gz DORJDGXXUSYTAK-UHFFFAOYSA-N 1 0 489.641 4.095 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)NC[C@H]1CCCO1 ZINC001317946822 1066804702 /nfs/dbraw/zinc/80/47/02/1066804702.db2.gz VWQKKLFAEHAJLZ-LJQANCHMSA-O 1 0 472.656 4.197 20 0 JIADRO Cc1cc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1N1CC[NH+](C)CC1 ZINC001317965943 1066817310 /nfs/dbraw/zinc/81/73/10/1066817310.db2.gz DZXOEXMGMGGKIO-UHFFFAOYSA-N 1 0 475.568 4.460 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001317989131 1066835204 /nfs/dbraw/zinc/83/52/04/1066835204.db2.gz FMNFTWQCBTZQKA-HUUCEWRRSA-N 1 0 451.384 4.260 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001318000466 1066842934 /nfs/dbraw/zinc/84/29/34/1066842934.db2.gz GWZUXSIYFOPYJN-UHFFFAOYSA-N 1 0 456.637 4.240 20 0 JIADRO C[C@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001318015749 1066853372 /nfs/dbraw/zinc/85/33/72/1066853372.db2.gz JYUDFUHPFSZALN-KRWDZBQOSA-N 1 0 479.404 4.475 20 0 JIADRO COCCc1nnc(-c2cccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)c2)o1 ZINC001349560548 1066853791 /nfs/dbraw/zinc/85/37/91/1066853791.db2.gz DYXLTYMYQXYIIH-HXUWFJFHSA-N 1 0 454.596 4.190 20 0 JIADRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(F)cc1F ZINC001349622784 1066861173 /nfs/dbraw/zinc/86/11/73/1066861173.db2.gz DXFWANZCNAZAIC-IAGOWNOFSA-N 1 0 457.502 4.062 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001318056119 1066874953 /nfs/dbraw/zinc/87/49/53/1066874953.db2.gz HVZXVEZFIPABKH-UHFFFAOYSA-N 1 0 472.412 4.139 20 0 JIADRO Cc1ccc([C@@H](CNC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)[NH+]2CCCC2)cc1 ZINC001318062173 1066879480 /nfs/dbraw/zinc/87/94/80/1066879480.db2.gz OBLSCWIYQUAVGU-XQBPLPMBSA-N 1 0 457.644 4.019 20 0 JIADRO CN1CCC([NH+]2CCC(NC(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)CC1 ZINC001318073340 1066885576 /nfs/dbraw/zinc/88/55/76/1066885576.db2.gz IEKKVCSSBFYYMX-UHFFFAOYSA-N 1 0 467.466 4.334 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](OC)c1ccccc1Br ZINC001349909493 1066894566 /nfs/dbraw/zinc/89/45/66/1066894566.db2.gz ACIQMKFBOQOTFD-HXUWFJFHSA-N 1 0 459.388 4.467 20 0 JIADRO Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1C ZINC001318109376 1066904286 /nfs/dbraw/zinc/90/42/86/1066904286.db2.gz LEQKZOVBWXCXQU-UHFFFAOYSA-N 1 0 450.608 4.148 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(Br)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC001350102723 1066917920 /nfs/dbraw/zinc/91/79/20/1066917920.db2.gz MHMSAWGNLKRJLP-GOSISDBHSA-N 1 0 452.780 4.463 20 0 JIADRO CCOc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)CC2 ZINC001318157902 1066930210 /nfs/dbraw/zinc/93/02/10/1066930210.db2.gz YOQSHZNFXAZTHQ-IBGZPJMESA-N 1 0 454.590 4.195 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(Br)cc2F)C1 ZINC001318216371 1066965311 /nfs/dbraw/zinc/96/53/11/1066965311.db2.gz NLPJIMCOLHGCHD-MRXNPFEDSA-N 1 0 469.420 4.440 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c2)CC1 ZINC001318232851 1066975025 /nfs/dbraw/zinc/97/50/25/1066975025.db2.gz MILFEMRLIHPSPO-HSZRJFAPSA-N 1 0 477.436 4.024 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249096 1066982760 /nfs/dbraw/zinc/98/27/60/1066982760.db2.gz YJSDHGAGUSAEJF-PKTZIBPZSA-N 1 0 460.647 4.410 20 0 JIADRO CNS(=O)(=O)c1ccc(Br)c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC001350675591 1066987772 /nfs/dbraw/zinc/98/77/72/1066987772.db2.gz ZSSZNSYQEFEFNI-UHFFFAOYSA-N 1 0 491.411 4.060 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318280139 1067000133 /nfs/dbraw/zinc/00/01/33/1067000133.db2.gz CZKWCSYTQLJWAG-NRFANRHFSA-N 1 0 489.616 4.088 20 0 JIADRO COc1c(Br)cc(Cl)cc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318294428 1067005678 /nfs/dbraw/zinc/00/56/78/1067005678.db2.gz BQQWSALIMGDAHT-UHFFFAOYSA-N 1 0 467.795 4.185 20 0 JIADRO C[C@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001318325879 1067018653 /nfs/dbraw/zinc/01/86/53/1067018653.db2.gz JMBRGWMGAVLDHP-NRFANRHFSA-N 1 0 471.605 4.251 20 0 JIADRO CCOc1ccc(Oc2cc(CNC(=O)NCc3ccccc3N3CC[NH+](C)CC3)ccn2)cc1 ZINC001318326038 1067018697 /nfs/dbraw/zinc/01/86/97/1067018697.db2.gz LQDFVAOGRKTATL-UHFFFAOYSA-N 1 0 475.593 4.024 20 0 JIADRO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC([NH+](CC)CC)CC3)c2)cc1 ZINC001318327363 1067019254 /nfs/dbraw/zinc/01/92/54/1067019254.db2.gz LHGJUXUQIFXXLH-UHFFFAOYSA-N 1 0 494.057 4.486 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[NH+]1CCCCC1 ZINC001300683698 1067020602 /nfs/dbraw/zinc/02/06/02/1067020602.db2.gz MYDTWCZFENGTKL-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 ZINC001318337913 1067022855 /nfs/dbraw/zinc/02/28/55/1067022855.db2.gz FNUBIRJJCKWDQI-UHFFFAOYSA-N 1 0 453.612 4.011 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300684316 1067023319 /nfs/dbraw/zinc/02/33/19/1067023319.db2.gz SHVOXSLGSULCSR-RTBURBONSA-N 1 0 485.654 4.479 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001350953924 1067024519 /nfs/dbraw/zinc/02/45/19/1067024519.db2.gz QCQYXMPHFWOSPS-HYBUGGRVSA-N 1 0 457.977 4.301 20 0 JIADRO CCCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cnn1-c1cc(F)c(OC)cc1F ZINC001350985991 1067028038 /nfs/dbraw/zinc/02/80/38/1067028038.db2.gz SPAKWNCFIZBHCV-OAQYLSRUSA-N 1 0 458.509 4.272 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001300686375 1067029214 /nfs/dbraw/zinc/02/92/14/1067029214.db2.gz FQHCPLAUYDPOQJ-BBWFWOEESA-N 1 0 453.603 4.257 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(Br)c3nccn3c2)[NH+]2CCCCC2)cc1 ZINC001354676422 1067037002 /nfs/dbraw/zinc/03/70/02/1067037002.db2.gz HITCZTYGUDYYNY-HXUWFJFHSA-N 1 0 457.372 4.062 20 0 JIADRO COc1ccc2c(c1)c(C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1)c(C)n2C1CC1 ZINC001318402363 1067038142 /nfs/dbraw/zinc/03/81/42/1067038142.db2.gz DACUGETXZBMLDT-UHFFFAOYSA-N 1 0 451.567 4.172 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492548635 1067040611 /nfs/dbraw/zinc/04/06/11/1067040611.db2.gz HCTBHFDIEVSSFM-DNQXCXABSA-N 1 0 487.714 4.100 20 0 JIADRO O=S(=O)(c1ccc(CC[NH2+]Cc2cnc(-c3ccsc3)s2)s1)N1CCCCC1 ZINC001200752122 1067043177 /nfs/dbraw/zinc/04/31/77/1067043177.db2.gz UYMYIDRNOVSJPE-UHFFFAOYSA-N 1 0 453.680 4.440 20 0 JIADRO COc1ccncc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001300696700 1067054547 /nfs/dbraw/zinc/05/45/47/1067054547.db2.gz GVWBDTHYLAUSNA-GUDVDZBRSA-N 1 0 470.618 4.079 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2scc(Br)c2Br)CC1 ZINC001351197292 1067058465 /nfs/dbraw/zinc/05/84/65/1067058465.db2.gz GDTJPOVAFTZPKG-UHFFFAOYSA-N 1 0 459.207 4.277 20 0 JIADRO COc1ncccc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300703901 1067068412 /nfs/dbraw/zinc/06/84/12/1067068412.db2.gz JEBCMPPQOPXPOJ-NRFANRHFSA-N 1 0 478.641 4.454 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)CC(C)(C)NC(=O)OCc3ccccc3)c(C)c2)CC1 ZINC001351390279 1067088320 /nfs/dbraw/zinc/08/83/20/1067088320.db2.gz IOGNZMYTYJDWSJ-UHFFFAOYSA-N 1 0 452.599 4.171 20 0 JIADRO Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1-c1ccccc1 ZINC001320810998 1067094262 /nfs/dbraw/zinc/09/42/62/1067094262.db2.gz NPXLYWRAWLRSCG-HSZRJFAPSA-N 1 0 491.661 4.252 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4cc(C)cc(F)c4)nn3)cc2Cl)CC1 ZINC001351480936 1067102272 /nfs/dbraw/zinc/10/22/72/1067102272.db2.gz AZLVCDFAGWMAEH-UHFFFAOYSA-N 1 0 456.953 4.153 20 0 JIADRO COc1cccc([C@H](CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)[NH+](C)C)c1 ZINC001321429092 1067127488 /nfs/dbraw/zinc/12/74/88/1067127488.db2.gz CMHTULMNPXYPOR-VWLOTQADSA-N 1 0 457.578 4.138 20 0 JIADRO Cc1cc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001321450436 1067132882 /nfs/dbraw/zinc/13/28/82/1067132882.db2.gz NMSJMWIWPBFYOI-XMMPIXPASA-N 1 0 464.610 4.047 20 0 JIADRO COc1cccc(Br)c1[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=S)NC(C)C ZINC001200795915 1067151579 /nfs/dbraw/zinc/15/15/79/1067151579.db2.gz XJCGHDVDVJJVJH-PKOBYXMFSA-N 1 0 462.457 4.298 20 0 JIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC001321539373 1067161183 /nfs/dbraw/zinc/16/11/83/1067161183.db2.gz FJJUOFPOQCAFMY-UHFFFAOYSA-N 1 0 475.433 4.009 20 0 JIADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001321553694 1067164238 /nfs/dbraw/zinc/16/42/38/1067164238.db2.gz QEWSRVVFWHJBLH-UHFFFAOYSA-N 1 0 466.029 4.062 20 0 JIADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)cn2)CC1 ZINC001321558541 1067166685 /nfs/dbraw/zinc/16/66/85/1067166685.db2.gz KDWSBZWAWWWDCT-UHFFFAOYSA-N 1 0 471.536 4.225 20 0 JIADRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(OC)c1 ZINC001351730548 1067182143 /nfs/dbraw/zinc/18/21/43/1067182143.db2.gz PFLPSFUIOYICFG-DHIUTWEWSA-N 1 0 450.604 4.340 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 ZINC001321636239 1067185325 /nfs/dbraw/zinc/18/53/25/1067185325.db2.gz GPMJPIGTZZOUNF-UHFFFAOYSA-N 1 0 450.004 4.087 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(F)(F)c2cnc(Cl)c(C)c2)CC1 ZINC001351782650 1067205233 /nfs/dbraw/zinc/20/52/33/1067205233.db2.gz XBSQKYCLSMOOMW-HNNXBMFYSA-N 1 0 454.924 4.294 20 0 JIADRO C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001351789558 1067207239 /nfs/dbraw/zinc/20/72/39/1067207239.db2.gz SPPVFTTWKCCSTG-MRXNPFEDSA-N 1 0 454.621 4.145 20 0 JIADRO C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001351789556 1067207476 /nfs/dbraw/zinc/20/74/76/1067207476.db2.gz SPPVFTTWKCCSTG-INIZCTEOSA-N 1 0 454.621 4.145 20 0 JIADRO CN(C)C(=O)COc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001354860291 1067210878 /nfs/dbraw/zinc/21/08/78/1067210878.db2.gz WJPNVPWXDLYCSC-GGXMVOPNSA-N 1 0 471.601 4.182 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492549292 1067211953 /nfs/dbraw/zinc/21/19/53/1067211953.db2.gz WQBMCPAWTBFEBP-VXKWHMMOSA-N 1 0 455.647 4.290 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc1 ZINC001351863773 1067227317 /nfs/dbraw/zinc/22/73/17/1067227317.db2.gz VDWWIKNFWCREQW-RCZVLFRGSA-N 1 0 471.667 4.450 20 0 JIADRO Cc1cc(NC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001321957677 1067232431 /nfs/dbraw/zinc/23/24/31/1067232431.db2.gz OCTRQQWWKDTUIN-QGZVFWFLSA-N 1 0 450.505 4.355 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 ZINC001322202410 1067262198 /nfs/dbraw/zinc/26/21/98/1067262198.db2.gz OSDPEENDIRJWEW-UHFFFAOYSA-N 1 0 491.617 4.395 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001300754829 1067281626 /nfs/dbraw/zinc/28/16/26/1067281626.db2.gz NVDATDNEMQJDQL-MIZPHKNDSA-N 1 0 459.610 4.437 20 0 JIADRO CC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001322391117 1067285463 /nfs/dbraw/zinc/28/54/63/1067285463.db2.gz BMSYYUHLUICUIG-UHFFFAOYSA-N 1 0 479.046 4.458 20 0 JIADRO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001352101741 1067287471 /nfs/dbraw/zinc/28/74/71/1067287471.db2.gz CDUKJJAIOMPUAV-UHFFFAOYSA-N 1 0 453.564 4.488 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300758031 1067289984 /nfs/dbraw/zinc/28/99/84/1067289984.db2.gz PATIFJZGIQDJQE-LVCYWYKZSA-N 1 0 463.573 4.282 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC001322469196 1067297383 /nfs/dbraw/zinc/29/73/83/1067297383.db2.gz OHFDRUWKMUNJCO-UHFFFAOYSA-N 1 0 457.603 4.283 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001300761563 1067301106 /nfs/dbraw/zinc/30/11/06/1067301106.db2.gz QGTAAZMYWOGIHA-MJGOQNOKSA-N 1 0 482.456 4.368 20 0 JIADRO CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001300761904 1067301750 /nfs/dbraw/zinc/30/17/50/1067301750.db2.gz XKBIYCXBESRJLI-WOJBJXKFSA-N 1 0 472.655 4.120 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CC2)no1 ZINC000500631347 1067303003 /nfs/dbraw/zinc/30/30/03/1067303003.db2.gz UCKGGLVOCJVWMQ-RTBURBONSA-N 1 0 467.614 4.021 20 0 JIADRO COc1cccc(N2CCC(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC001322590508 1067304607 /nfs/dbraw/zinc/30/46/07/1067304607.db2.gz JNYZAMSVWXYAHA-OAQYLSRUSA-N 1 0 451.611 4.347 20 0 JIADRO Cc1c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001354962241 1067307040 /nfs/dbraw/zinc/30/70/40/1067307040.db2.gz JCUVDQNXWHPXAM-UHFFFAOYSA-N 1 0 453.590 4.489 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)no1 ZINC000500697076 1067307975 /nfs/dbraw/zinc/30/79/75/1067307975.db2.gz HUMGDEOGWWWCTG-RTBURBONSA-N 1 0 467.614 4.021 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001322698218 1067308139 /nfs/dbraw/zinc/30/81/39/1067308139.db2.gz IAAHLKDRPZPQGJ-UHFFFAOYSA-N 1 0 455.605 4.075 20 0 JIADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001354965856 1067308692 /nfs/dbraw/zinc/30/86/92/1067308692.db2.gz OZZAWQMBBOMFPT-UHFFFAOYSA-N 1 0 455.558 4.162 20 0 JIADRO C[C@H]1C(=O)Nc2cc(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)ccc2N1C ZINC001354967167 1067309652 /nfs/dbraw/zinc/30/96/52/1067309652.db2.gz XTDILZHIOFMMTL-NRFANRHFSA-N 1 0 456.590 4.286 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492494603 1067313787 /nfs/dbraw/zinc/31/37/87/1067313787.db2.gz DTDGADFCBKUPLW-FQEVSTJZSA-N 1 0 477.613 4.143 20 0 JIADRO C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)cs2)CC1 ZINC001352239351 1067315648 /nfs/dbraw/zinc/31/56/48/1067315648.db2.gz XITUIGKPRFMEBL-MISYRCLQSA-N 1 0 454.640 4.315 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)N2CCC([NH+](CC)CC)CC2)c1 ZINC001323295616 1067317211 /nfs/dbraw/zinc/31/72/11/1067317211.db2.gz NVMYFHXXDCWZDC-UHFFFAOYSA-N 1 0 493.718 4.046 20 0 JIADRO O=C(c1cc(Br)cnc1Br)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001354985132 1067317733 /nfs/dbraw/zinc/31/77/33/1067317733.db2.gz UQRLDNWGRDXWKS-AWEZNQCLSA-N 1 0 451.162 4.231 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492494791 1067319457 /nfs/dbraw/zinc/31/94/57/1067319457.db2.gz IAAQALWYOCLPBR-NRFANRHFSA-N 1 0 479.648 4.259 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492495015 1067322486 /nfs/dbraw/zinc/32/24/86/1067322486.db2.gz NLDWIVNNQGVJFX-PCCBWWKXSA-N 1 0 478.641 4.439 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001323636434 1067324925 /nfs/dbraw/zinc/32/49/25/1067324925.db2.gz YPJBVSPHKNZZPG-OAQYLSRUSA-N 1 0 488.632 4.136 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300774000 1067326660 /nfs/dbraw/zinc/32/66/60/1067326660.db2.gz WAHAGURNVPDPPQ-DNQXCXABSA-N 1 0 469.674 4.457 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300773999 1067326715 /nfs/dbraw/zinc/32/67/15/1067326715.db2.gz WAHAGURNVPDPPQ-BJKOFHAPSA-N 1 0 469.674 4.457 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001300774551 1067327805 /nfs/dbraw/zinc/32/78/05/1067327805.db2.gz ZBLAJENSEAFRQW-OAQYLSRUSA-N 1 0 462.038 4.248 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cn(C)nc2-c2cc(F)ccc2F)[NH+]2CCCCC2)cc1 ZINC001352318861 1067331486 /nfs/dbraw/zinc/33/14/86/1067331486.db2.gz SQBDIDTZCMYOBD-QHCPKHFHSA-N 1 0 454.521 4.331 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Br)c(NC(=S)Nc2ccccc2)cc1OC ZINC001200839669 1067332661 /nfs/dbraw/zinc/33/26/61/1067332661.db2.gz GYMAENZAZDDGJD-UHFFFAOYSA-N 1 0 479.444 4.338 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300000661 1067337000 /nfs/dbraw/zinc/33/70/00/1067337000.db2.gz IFSBYKOOJUECBR-CYBMUJFWSA-N 1 0 479.448 4.068 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300000722 1067337264 /nfs/dbraw/zinc/33/72/64/1067337264.db2.gz LAALZOXOFIPFNQ-OAHLLOKOSA-N 1 0 476.341 4.055 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001300782005 1067337803 /nfs/dbraw/zinc/33/78/03/1067337803.db2.gz FUPXQPMSBBJHQA-OXJNMPFZSA-N 1 0 499.553 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCOc2ccccc2C)CC1 ZINC001300782218 1067338886 /nfs/dbraw/zinc/33/88/86/1067338886.db2.gz JIEXGVCUAIFKGN-UHFFFAOYSA-N 1 0 478.641 4.053 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)CC1 ZINC001300782559 1067339563 /nfs/dbraw/zinc/33/95/63/1067339563.db2.gz NXPKEWLNGWWCAW-INIZCTEOSA-N 1 0 482.456 4.366 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001300782817 1067340092 /nfs/dbraw/zinc/34/00/92/1067340092.db2.gz PZQFMAYWEOZFCM-UHFFFAOYSA-N 1 0 461.651 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001300782639 1067340126 /nfs/dbraw/zinc/34/01/26/1067340126.db2.gz PCAJAGUGUAPKNN-UHFFFAOYSA-N 1 0 472.584 4.088 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492552957 1067340560 /nfs/dbraw/zinc/34/05/60/1067340560.db2.gz FUUMHOIUZALVDO-GMAHTHKFSA-N 1 0 452.647 4.247 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001300783267 1067340712 /nfs/dbraw/zinc/34/07/12/1067340712.db2.gz AIRMXCIWIPMKRM-GSPCLOLRSA-N 1 0 455.647 4.115 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300001760 1067341073 /nfs/dbraw/zinc/34/10/73/1067341073.db2.gz GYNPQJYXDJVSPU-SFHVURJKSA-N 1 0 455.628 4.392 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001492553072 1067342254 /nfs/dbraw/zinc/34/22/54/1067342254.db2.gz FOMANPXKYOICDM-OAQYLSRUSA-N 1 0 480.701 4.306 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300002352 1067343246 /nfs/dbraw/zinc/34/32/46/1067343246.db2.gz JIVUYZBOMQUTSS-RTBURBONSA-N 1 0 497.640 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001300784388 1067343998 /nfs/dbraw/zinc/34/39/98/1067343998.db2.gz AXKDNOCSKPVQPR-UHFFFAOYSA-N 1 0 475.678 4.229 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1C ZINC001200004529 1067345873 /nfs/dbraw/zinc/34/58/73/1067345873.db2.gz XKURKFOGKKHQQE-QHCPKHFHSA-N 1 0 458.628 4.131 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300003220 1067346550 /nfs/dbraw/zinc/34/65/50/1067346550.db2.gz RAKWPUVKVPSAIW-UHFFFAOYSA-N 1 0 467.614 4.381 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001300786000 1067347985 /nfs/dbraw/zinc/34/79/85/1067347985.db2.gz HUGVDTUAIJCBQA-UHFFFAOYSA-N 1 0 465.642 4.491 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(C)CCOc3ccc(F)cc3)nnc2C(C)(C)C)CC1 ZINC001300787474 1067351087 /nfs/dbraw/zinc/35/10/87/1067351087.db2.gz UOEYRXZTYQKFHT-UHFFFAOYSA-N 1 0 461.626 4.119 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)CC1 ZINC001300787580 1067351476 /nfs/dbraw/zinc/35/14/76/1067351476.db2.gz XLUBFJRMSJTEJL-GOSISDBHSA-N 1 0 465.593 4.276 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[NH+]2CCCC2)cc1OC ZINC001300005325 1067352521 /nfs/dbraw/zinc/35/25/21/1067352521.db2.gz DFWBAMIDTHUFDR-UHFFFAOYSA-N 1 0 496.559 4.170 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(C(C)C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001492554216 1067354143 /nfs/dbraw/zinc/35/41/43/1067354143.db2.gz RZXNZQVDINLZHX-UHFFFAOYSA-N 1 0 466.674 4.375 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300007448 1067357550 /nfs/dbraw/zinc/35/75/50/1067357550.db2.gz SQUADDIPVCAOKW-OALUTQOASA-N 1 0 452.603 4.335 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300008399 1067359037 /nfs/dbraw/zinc/35/90/37/1067359037.db2.gz FYAHHRQPCRFYRG-NHCUHLMSSA-N 1 0 453.631 4.487 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001300009650 1067360702 /nfs/dbraw/zinc/36/07/02/1067360702.db2.gz SOECIZVKGGNCPJ-UHFFFAOYSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300009767 1067361042 /nfs/dbraw/zinc/36/10/42/1067361042.db2.gz WEEQTMQVAMJSKE-NRFANRHFSA-N 1 0 455.647 4.471 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200854911 1067362933 /nfs/dbraw/zinc/36/29/33/1067362933.db2.gz WIQFKYGEDCKGTC-LJQANCHMSA-N 1 0 452.064 4.266 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC001300793114 1067364854 /nfs/dbraw/zinc/36/48/54/1067364854.db2.gz DFPSFUSXSIOMJS-KXBFYZLASA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(C(=S)Nc3ccccc3Cl)CC2)CC1 ZINC001200860607 1067368124 /nfs/dbraw/zinc/36/81/24/1067368124.db2.gz LTHVIINWYLVXDP-UHFFFAOYSA-N 1 0 453.052 4.490 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492580584 1067369810 /nfs/dbraw/zinc/36/98/10/1067369810.db2.gz IBLFDSNIGNCISK-UHFFFAOYSA-N 1 0 465.564 4.113 20 0 JIADRO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001355107545 1067373849 /nfs/dbraw/zinc/37/38/49/1067373849.db2.gz OCMTYUXPJMYOSO-RTBURBONSA-N 1 0 476.524 4.011 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300015808 1067374469 /nfs/dbraw/zinc/37/44/69/1067374469.db2.gz YPCDFWIQLVQIRI-NRFANRHFSA-N 1 0 461.676 4.272 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492581279 1067382832 /nfs/dbraw/zinc/38/28/32/1067382832.db2.gz BRIHQVABQPMNPD-DEOSSOPVSA-N 1 0 463.674 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300021768 1067386082 /nfs/dbraw/zinc/38/60/82/1067386082.db2.gz JVOGASNKASDDSB-HXUWFJFHSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC001300022932 1067390393 /nfs/dbraw/zinc/39/03/93/1067390393.db2.gz HHTYXQTYKMHUMF-DBXWQHBBSA-N 1 0 453.587 4.483 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300022895 1067390575 /nfs/dbraw/zinc/39/05/75/1067390575.db2.gz GWSIMASRBVHVIU-PMACEKPBSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC(C)(C)[NH+]2CCCCC2)c(OC)c1 ZINC001300022901 1067390583 /nfs/dbraw/zinc/39/05/83/1067390583.db2.gz GXOUDFZBRWMVFM-IBGZPJMESA-N 1 0 471.646 4.231 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2csc(Cc3cccc(F)c3)n2)c1 ZINC001355235710 1067393584 /nfs/dbraw/zinc/39/35/84/1067393584.db2.gz LQGLHULQUBITCL-UHFFFAOYSA-N 1 0 454.571 4.197 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001300031319 1067421881 /nfs/dbraw/zinc/42/18/81/1067421881.db2.gz YUKYSHMLTUUPQY-FQEVSTJZSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001300031788 1067423812 /nfs/dbraw/zinc/42/38/12/1067423812.db2.gz BFKQSQAOUYRQSX-FQEVSTJZSA-N 1 0 455.647 4.061 20 0 JIADRO CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccn1 ZINC001352474430 1067425693 /nfs/dbraw/zinc/42/56/93/1067425693.db2.gz OFHNHHBLTIBOLA-UHFFFAOYSA-N 1 0 451.571 4.133 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2([NH+](C)C)CCC2)c(OC)c1 ZINC001300033173 1067430529 /nfs/dbraw/zinc/43/05/29/1067430529.db2.gz IAKHDGKVFBKQMS-UHFFFAOYSA-N 1 0 467.536 4.225 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001492582132 1067438666 /nfs/dbraw/zinc/43/86/66/1067438666.db2.gz YDZVMXYUAUPKHY-JOCHJYFZSA-N 1 0 498.716 4.458 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC001355427342 1067462093 /nfs/dbraw/zinc/46/20/93/1067462093.db2.gz VLCKSGYUHCLVQG-LADGPHEKSA-N 1 0 455.002 4.029 20 0 JIADRO CCOc1ccc(NC(=O)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001355479078 1067482785 /nfs/dbraw/zinc/48/27/85/1067482785.db2.gz GQWUZMBRGYFQCL-RRPNLBNLSA-N 1 0 471.601 4.364 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCSC(F)(F)F)cc1 ZINC001300044906 1067490576 /nfs/dbraw/zinc/49/05/76/1067490576.db2.gz XKZIPTKSRSFWNH-QGZVFWFLSA-N 1 0 455.550 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300045313 1067492061 /nfs/dbraw/zinc/49/20/61/1067492061.db2.gz BJQUKJLXZMXGQE-QFIPXVFZSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)c(OC)c1 ZINC001300045571 1067493657 /nfs/dbraw/zinc/49/36/57/1067493657.db2.gz KSIJHXJYNURBDQ-SFHVURJKSA-N 1 0 471.646 4.229 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300049924 1067506643 /nfs/dbraw/zinc/50/66/43/1067506643.db2.gz LWYAITNKLQEXEJ-PKOBYXMFSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300051578 1067516878 /nfs/dbraw/zinc/51/68/78/1067516878.db2.gz KNSVLMPWCPCYFG-BVAGGSTKSA-N 1 0 455.647 4.470 20 0 JIADRO COCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1 ZINC001355592972 1067520084 /nfs/dbraw/zinc/52/00/84/1067520084.db2.gz HJTHKYHYOWCDQZ-UHFFFAOYSA-N 1 0 451.489 4.125 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492582875 1067522828 /nfs/dbraw/zinc/52/28/28/1067522828.db2.gz WJWVXMIFHZSGID-GOTSBHOMSA-N 1 0 496.700 4.401 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300053856 1067528132 /nfs/dbraw/zinc/52/81/32/1067528132.db2.gz LNSGMISTGIMBIQ-JOCHJYFZSA-N 1 0 496.700 4.208 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492582771 1067532324 /nfs/dbraw/zinc/53/23/24/1067532324.db2.gz SNQGYKSCDQEXHQ-BGYRXZFFSA-N 1 0 493.618 4.439 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300055007 1067534211 /nfs/dbraw/zinc/53/42/11/1067534211.db2.gz APVVQVYHFFNHJS-SJLPKXTDSA-N 1 0 494.478 4.450 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300056408 1067541639 /nfs/dbraw/zinc/54/16/39/1067541639.db2.gz NUFBFOLFRGTISC-IRLDBZIGSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC2([NH+](C)C)CCOCC2)cc1Br ZINC001300056671 1067542140 /nfs/dbraw/zinc/54/21/40/1067542140.db2.gz MMKTWCHYXQMCGA-UHFFFAOYSA-N 1 0 492.462 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300057335 1067545025 /nfs/dbraw/zinc/54/50/25/1067545025.db2.gz SOUXUCFRPNIWRW-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300057663 1067547393 /nfs/dbraw/zinc/54/73/93/1067547393.db2.gz XTAZHSRSALKZHI-KDURUIRLSA-N 1 0 471.646 4.229 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1OC ZINC001200078046 1067548803 /nfs/dbraw/zinc/54/88/03/1067548803.db2.gz HZAIFQKONWPRQM-UHFFFAOYSA-N 1 0 497.705 4.266 20 0 JIADRO COc1ccc(CCNC(=S)N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC001200078459 1067549136 /nfs/dbraw/zinc/54/91/36/1067549136.db2.gz IVNJZXRUJIWJLX-AUSIDOKSSA-N 1 0 453.652 4.278 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)cc2Cl)CC1 ZINC001355717153 1067561765 /nfs/dbraw/zinc/56/17/65/1067561765.db2.gz WAYJCMVPNYTUAA-UHFFFAOYSA-N 1 0 459.019 4.290 20 0 JIADRO COc1ccc(CCNC(=S)Nc2ccc(OCC3CC[NH+](C)CC3)c(F)c2)cc1OC ZINC001200081393 1067563439 /nfs/dbraw/zinc/56/34/39/1067563439.db2.gz IBBYGPIANYWLOK-UHFFFAOYSA-N 1 0 461.603 4.093 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001300061662 1067565131 /nfs/dbraw/zinc/56/51/31/1067565131.db2.gz MIAMHWSAKXTQMN-GGAORHGYSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOCC(C)C)cc1OC ZINC001300062081 1067568117 /nfs/dbraw/zinc/56/81/17/1067568117.db2.gz UQZACSAZWSPNOR-UHFFFAOYSA-N 1 0 473.662 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2cccc(C)n2)c(OC)c1 ZINC001300062090 1067568397 /nfs/dbraw/zinc/56/83/97/1067568397.db2.gz UWVKWQYEAXXMKV-UHFFFAOYSA-N 1 0 478.641 4.219 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300067512 1067583426 /nfs/dbraw/zinc/58/34/26/1067583426.db2.gz PISFTUZBOCNHPK-ACDBMABISA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@](C)(O)c2cc(C)oc2C)cc1OC ZINC001300068028 1067585254 /nfs/dbraw/zinc/58/52/54/1067585254.db2.gz XGQKTBVKXCOYAK-MHZLTWQESA-N 1 0 497.640 4.000 20 0 JIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nn(-c3ccccc3F)cc2Br)c1 ZINC001352624357 1067587663 /nfs/dbraw/zinc/58/76/63/1067587663.db2.gz FKTLPZJSBCYDRQ-UHFFFAOYSA-N 1 0 459.363 4.286 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001300069009 1067588315 /nfs/dbraw/zinc/58/83/15/1067588315.db2.gz HWHJBEYGUQFJNA-UHFFFAOYSA-N 1 0 484.048 4.059 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842362 1067590766 /nfs/dbraw/zinc/59/07/66/1067590766.db2.gz JUOPDTOZMBFOIE-TZMCWYRMSA-N 1 0 453.178 4.172 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(C)CCCO2)c(OC)c1 ZINC001300074400 1067597695 /nfs/dbraw/zinc/59/76/95/1067597695.db2.gz FJWVZXFHHORMFS-SANMLTNESA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CSCCS2)cc1 ZINC001300076521 1067603817 /nfs/dbraw/zinc/60/38/17/1067603817.db2.gz UEUNMTFUYPVRPA-OAQYLSRUSA-N 1 0 475.728 4.361 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300076540 1067604360 /nfs/dbraw/zinc/60/43/60/1067604360.db2.gz UKLPZYGIYKYQKW-DENIHFKCSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300077799 1067608757 /nfs/dbraw/zinc/60/87/57/1067608757.db2.gz BEWMMDNSJIKVDJ-HXUWFJFHSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300078189 1067611756 /nfs/dbraw/zinc/61/17/56/1067611756.db2.gz GOZOWQCPASTRBI-RXVVDRJESA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300078486 1067612256 /nfs/dbraw/zinc/61/22/56/1067612256.db2.gz IPXFOAMCZVPRAO-SANMLTNESA-N 1 0 473.662 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001300078679 1067612968 /nfs/dbraw/zinc/61/29/68/1067612968.db2.gz KHDVOCZBGGXSAC-SIBVEZHUSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)cc1OC ZINC001300079399 1067614648 /nfs/dbraw/zinc/61/46/48/1067614648.db2.gz QOTGBXQZGRRLGE-RUZDIDTESA-N 1 0 485.673 4.336 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2c(F)ccc(F)c2OC)cc1Cl ZINC001355951905 1067616891 /nfs/dbraw/zinc/61/68/91/1067616891.db2.gz OZJAAGHCKIIEDS-UHFFFAOYSA-N 1 0 453.917 4.341 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300080622 1067616634 /nfs/dbraw/zinc/61/66/34/1067616634.db2.gz WCULZHFZPKJWRK-VWLOTQADSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300085179 1067626639 /nfs/dbraw/zinc/62/66/39/1067626639.db2.gz OATKOWJQFVVTLV-UHFFFAOYSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300085215 1067626827 /nfs/dbraw/zinc/62/68/27/1067626827.db2.gz OVHFBUMFRHMMCC-MOPGFXCFSA-N 1 0 459.660 4.026 20 0 JIADRO Cn1cc(C[N@@H+]2CCCC23CCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)CC3)cn1 ZINC001200107820 1067636800 /nfs/dbraw/zinc/63/68/00/1067636800.db2.gz HRMLEHVBWCLSRJ-UHFFFAOYSA-N 1 0 459.015 4.046 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC001300088700 1067637681 /nfs/dbraw/zinc/63/76/81/1067637681.db2.gz IPKTVABBTKLTEW-PKOBYXMFSA-N 1 0 492.462 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300090907 1067648025 /nfs/dbraw/zinc/64/80/25/1067648025.db2.gz ZOMHOTCEDBRXCU-IAGOWNOFSA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(C2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001300095606 1067658939 /nfs/dbraw/zinc/65/89/39/1067658939.db2.gz CRAQOCMMCQYKIC-INIZCTEOSA-N 1 0 487.446 4.378 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001300102648 1067679798 /nfs/dbraw/zinc/67/97/98/1067679798.db2.gz IFCJSKKFSPBASO-OAQYLSRUSA-N 1 0 477.657 4.181 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300102804 1067681188 /nfs/dbraw/zinc/68/11/88/1067681188.db2.gz KHXNYCBGTVXTTJ-OAQYLSRUSA-N 1 0 464.658 4.482 20 0 JIADRO C[C@@H](c1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC001200121682 1067682431 /nfs/dbraw/zinc/68/24/31/1067682431.db2.gz LMXGLUNYHLFNEY-QFIPXVFZSA-N 1 0 450.627 4.456 20 0 JIADRO CN(c1ccc(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC001200127754 1067707718 /nfs/dbraw/zinc/70/77/18/1067707718.db2.gz ZYHPFBLNDWKHQH-UHFFFAOYSA-N 1 0 451.308 4.154 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)s3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001300110685 1067710648 /nfs/dbraw/zinc/71/06/48/1067710648.db2.gz HJRMRCUMNBZCBR-UHFFFAOYSA-N 1 0 483.682 4.189 20 0 JIADRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc(OC)c1OC(F)F ZINC001356283079 1067716228 /nfs/dbraw/zinc/71/62/28/1067716228.db2.gz NCOMTCGYXDENCK-UHFFFAOYSA-N 1 0 452.523 4.415 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(OC)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300113333 1067717997 /nfs/dbraw/zinc/71/79/97/1067717997.db2.gz DUDYICADIGDKGO-SFTDATJTSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300113855 1067719940 /nfs/dbraw/zinc/71/99/40/1067719940.db2.gz ICZLUNJISIWCSO-UKILVPOCSA-N 1 0 469.674 4.198 20 0 JIADRO O=C(CCC[NH2+]Cc1c(Br)cncc1Br)N1CCc2ccccc21 ZINC001200135807 1067726676 /nfs/dbraw/zinc/72/66/76/1067726676.db2.gz RFVUXLFMBQATQN-UHFFFAOYSA-N 1 0 453.178 4.066 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2CCC(OC)CC2)cc1 ZINC001300120142 1067736413 /nfs/dbraw/zinc/73/64/13/1067736413.db2.gz NSDZRRAUPMZRBU-UHFFFAOYSA-N 1 0 469.674 4.244 20 0 JIADRO CN(c1ccc(NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)cc1)C1CC[NH+](C)CC1 ZINC001356379955 1067740769 /nfs/dbraw/zinc/74/07/69/1067740769.db2.gz OQVZHLVGTKCOQU-UHFFFAOYSA-N 1 0 459.381 4.357 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300122755 1067742239 /nfs/dbraw/zinc/74/22/39/1067742239.db2.gz JBUABMKJOKGXDD-FGZHOGPDSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300126238 1067752681 /nfs/dbraw/zinc/75/26/81/1067752681.db2.gz QLGWVSOQGAPDDW-DQEYMECFSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCCSC2)cc1 ZINC001300127151 1067757729 /nfs/dbraw/zinc/75/77/29/1067757729.db2.gz VPJISWFHMIJBQK-OAQYLSRUSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300128900 1067763140 /nfs/dbraw/zinc/76/31/40/1067763140.db2.gz XOKAGBGJZQPDER-FQEVSTJZSA-N 1 0 457.688 4.278 20 0 JIADRO CCn1c(SCC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493818 1067764094 /nfs/dbraw/zinc/76/40/94/1067764094.db2.gz COELTFMKVWEDAN-UYAOXDASSA-N 1 0 453.612 4.067 20 0 JIADRO O=C(Nc1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC001300129789 1067764863 /nfs/dbraw/zinc/76/48/63/1067764863.db2.gz PLIRVTSPDSFBHM-LEWJYISDSA-N 1 0 456.384 4.448 20 0 JIADRO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001352860525 1067771432 /nfs/dbraw/zinc/77/14/32/1067771432.db2.gz DPQHDJNDCGKZHD-SFHVURJKSA-N 1 0 452.426 4.209 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC001352861038 1067771585 /nfs/dbraw/zinc/77/15/85/1067771585.db2.gz FQXAHMLTUNWNJI-UHFFFAOYSA-N 1 0 457.789 4.125 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Oc3cccc(I)c3)cc2)CC1 ZINC001356542226 1067774561 /nfs/dbraw/zinc/77/45/61/1067774561.db2.gz GINMJNWRWXYYSN-UHFFFAOYSA-N 1 0 450.320 4.041 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001352868615 1067775913 /nfs/dbraw/zinc/77/59/13/1067775913.db2.gz KDUBJQSGOCHOJS-UHFFFAOYSA-N 1 0 454.399 4.238 20 0 JIADRO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001356551989 1067776397 /nfs/dbraw/zinc/77/63/97/1067776397.db2.gz ZFPCGGBZPYMKLG-CTUHWIOQSA-N 1 0 476.646 4.203 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849066923 1067794410 /nfs/dbraw/zinc/79/44/10/1067794410.db2.gz PWJJJHBUPKJPHS-MRXNPFEDSA-N 1 0 451.398 4.080 20 0 JIADRO COc1ccc(CNC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC ZINC000849066610 1067794883 /nfs/dbraw/zinc/79/48/83/1067794883.db2.gz JMLYGKBJBRIBHD-UHFFFAOYSA-N 1 0 451.489 4.085 20 0 JIADRO COc1ccc(C)cc1C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000849066298 1067795399 /nfs/dbraw/zinc/79/53/99/1067795399.db2.gz PLUHGOLGSYBABZ-UHFFFAOYSA-N 1 0 457.018 4.052 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(OC)c1 ZINC001300148363 1067802399 /nfs/dbraw/zinc/80/23/99/1067802399.db2.gz CBHPUHGXKPZZRZ-HXUWFJFHSA-N 1 0 469.674 4.437 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCC3)CC2)cc1OC(F)F ZINC001300149139 1067804024 /nfs/dbraw/zinc/80/40/24/1067804024.db2.gz MADXCWVWCJPAOQ-UHFFFAOYSA-N 1 0 477.600 4.394 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001352939506 1067811333 /nfs/dbraw/zinc/81/13/33/1067811333.db2.gz BVNPEVIYDFMCOU-OAQYLSRUSA-N 1 0 451.489 4.194 20 0 JIADRO CCCC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001357183968 1067815478 /nfs/dbraw/zinc/81/54/78/1067815478.db2.gz FQYWQWNPASLANI-IZZNHLLZSA-N 1 0 456.590 4.352 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)cc1OC(F)F ZINC001300159297 1067815523 /nfs/dbraw/zinc/81/55/23/1067815523.db2.gz XGHAYXQAROODSY-MRXNPFEDSA-N 1 0 451.562 4.306 20 0 JIADRO CC(=O)N(CCC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001357189202 1067816156 /nfs/dbraw/zinc/81/61/56/1067816156.db2.gz KQDPRQKMHIXBIH-RUZDIDTESA-N 1 0 459.594 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001300164044 1067821304 /nfs/dbraw/zinc/82/13/04/1067821304.db2.gz IAGBBMYTJOTLGQ-QFIPXVFZSA-N 1 0 478.641 4.362 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300164543 1067822089 /nfs/dbraw/zinc/82/20/89/1067822089.db2.gz TXVOJJMXLCXIPC-WNCULLNHSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC001300164850 1067822557 /nfs/dbraw/zinc/82/25/57/1067822557.db2.gz XFSUKWIOGATRNO-SFHVURJKSA-N 1 0 485.032 4.466 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492584908 1067823351 /nfs/dbraw/zinc/82/33/51/1067823351.db2.gz VBIPWLQURGIEOX-AREMUKBSSA-N 1 0 494.728 4.430 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300170366 1067829015 /nfs/dbraw/zinc/82/90/15/1067829015.db2.gz QXMXWMFBFRPRBI-JOCHJYFZSA-N 1 0 471.646 4.295 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC001300178120 1067839109 /nfs/dbraw/zinc/83/91/09/1067839109.db2.gz ZPNBRMDEOZTGRD-DWXRJYCRSA-N 1 0 498.697 4.495 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300180275 1067843269 /nfs/dbraw/zinc/84/32/69/1067843269.db2.gz KUTAACPCYDAUDH-XMMPIXPASA-N 1 0 455.647 4.013 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC001300182064 1067844851 /nfs/dbraw/zinc/84/48/51/1067844851.db2.gz MWOJJDVQQMCDBA-FQEVSTJZSA-N 1 0 455.647 4.254 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC001300185568 1067849838 /nfs/dbraw/zinc/84/98/38/1067849838.db2.gz ZJNNJUODIJTOFC-UHFFFAOYSA-N 1 0 450.425 4.188 20 0 JIADRO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001357493399 1067858636 /nfs/dbraw/zinc/85/86/36/1067858636.db2.gz CXZRBLSBZGSBIT-QWFCFKBJSA-N 1 0 457.416 4.393 20 0 JIADRO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001357493385 1067858700 /nfs/dbraw/zinc/85/87/00/1067858700.db2.gz CXZRBLSBZGSBIT-CMKODMSKSA-N 1 0 457.416 4.393 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001200222229 1067864665 /nfs/dbraw/zinc/86/46/65/1067864665.db2.gz KCVXXIJKKBNUJL-QFIPXVFZSA-N 1 0 456.587 4.405 20 0 JIADRO COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1Br ZINC001300199300 1067869741 /nfs/dbraw/zinc/86/97/41/1067869741.db2.gz BKHUBPGZDMCYSN-UHFFFAOYSA-N 1 0 487.446 4.403 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001492557721 1067872407 /nfs/dbraw/zinc/87/24/07/1067872407.db2.gz ULQOZPQBZBCFGA-QFIPXVFZSA-N 1 0 464.614 4.035 20 0 JIADRO C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578825 1067873648 /nfs/dbraw/zinc/87/36/48/1067873648.db2.gz MYQCQKAQSAFATJ-GFCCVEGCSA-N 1 0 456.306 4.109 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2cscn2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492558328 1067875547 /nfs/dbraw/zinc/87/55/47/1067875547.db2.gz QTYRNFSYXBDGMG-OALUTQOASA-N 1 0 454.644 4.234 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC001300211696 1067881752 /nfs/dbraw/zinc/88/17/52/1067881752.db2.gz YYTVALUZAGILAR-GOSISDBHSA-N 1 0 481.563 4.168 20 0 JIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC001200244599 1067885459 /nfs/dbraw/zinc/88/54/59/1067885459.db2.gz VTXJHGVLHZEBHH-UHFFFAOYSA-N 1 0 451.839 4.282 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(-c4cccc(F)c4)s3)c2)C1 ZINC001353165164 1067885829 /nfs/dbraw/zinc/88/58/29/1067885829.db2.gz UOXFWIJXCYLDHA-HXUWFJFHSA-N 1 0 451.567 4.182 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC001300215723 1067885878 /nfs/dbraw/zinc/88/58/78/1067885878.db2.gz FMDJYHJLERYQPE-QFIPXVFZSA-N 1 0 469.674 4.490 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](CC(C)C)CC2)cc1Br ZINC001300216551 1067887176 /nfs/dbraw/zinc/88/71/76/1067887176.db2.gz XOQMHUJVCCZMPU-UHFFFAOYSA-N 1 0 464.452 4.074 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300238076 1067937412 /nfs/dbraw/zinc/93/74/12/1067937412.db2.gz YFFBDFWBPWZLRR-UXHICEINSA-N 1 0 476.065 4.448 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)C[C@H]1C ZINC001357906668 1067937655 /nfs/dbraw/zinc/93/76/55/1067937655.db2.gz PYQRSPYEIGOJQH-RTBURBONSA-N 1 0 451.542 4.420 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4ccccc4)CCOCC3)cc2)C[C@H]1C ZINC001357906890 1067938905 /nfs/dbraw/zinc/93/89/05/1067938905.db2.gz REAPVGZHFOADJU-DHIUTWEWSA-N 1 0 450.623 4.060 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492561319 1067964412 /nfs/dbraw/zinc/96/44/12/1067964412.db2.gz CLGKNZUBEGETKY-NRFANRHFSA-N 1 0 451.562 4.390 20 0 JIADRO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003604 1067981386 /nfs/dbraw/zinc/98/13/86/1067981386.db2.gz FZDJLHJYKHAWSE-ABQONYIQSA-N 1 0 458.046 4.459 20 0 JIADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358035455 1067997906 /nfs/dbraw/zinc/99/79/06/1067997906.db2.gz MNVLSOOKMRVDLE-VPHKFGTKSA-N 1 0 457.977 4.124 20 0 JIADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358035448 1067998022 /nfs/dbraw/zinc/99/80/22/1067998022.db2.gz MNVLSOOKMRVDLE-HFRGRHLUSA-N 1 0 457.977 4.124 20 0 JIADRO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC001473346117 1068004770 /nfs/dbraw/zinc/00/47/70/1068004770.db2.gz TYVXVTNEBLVCGH-UHFFFAOYSA-N 1 0 459.034 4.337 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300252940 1068006791 /nfs/dbraw/zinc/00/67/91/1068006791.db2.gz FZLZSKYNDMWOCJ-OAQYLSRUSA-N 1 0 479.572 4.099 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492562133 1068013089 /nfs/dbraw/zinc/01/30/89/1068013089.db2.gz FZXBASJVZOEEJP-VSKRKVRLSA-N 1 0 482.673 4.477 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@]2(C)CCc3ccccc32)cc1OC ZINC001358085369 1068015804 /nfs/dbraw/zinc/01/58/04/1068015804.db2.gz DSHSIXBEXLBQJG-VWLOTQADSA-N 1 0 458.002 4.263 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001300260769 1068024135 /nfs/dbraw/zinc/02/41/35/1068024135.db2.gz JSMRAUCFPDNKAQ-LJQANCHMSA-N 1 0 485.654 4.235 20 0 JIADRO COc1ccc(OC2CCN(c3nnc([C@@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001300261567 1068025770 /nfs/dbraw/zinc/02/57/70/1068025770.db2.gz USKGHOGATHMCCW-JOCHJYFZSA-N 1 0 485.673 4.347 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)C1 ZINC001353323694 1068027281 /nfs/dbraw/zinc/02/72/81/1068027281.db2.gz CJMHXULIMVURNB-VFNWGFHPSA-N 1 0 457.368 4.401 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300263749 1068030662 /nfs/dbraw/zinc/03/06/62/1068030662.db2.gz OFROCNFNMNJCEM-PMACEKPBSA-N 1 0 482.629 4.247 20 0 JIADRO CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358147716 1068030983 /nfs/dbraw/zinc/03/09/83/1068030983.db2.gz AQBFVDCWYNGDMK-UTKZUKDTSA-N 1 0 455.921 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300264451 1068033357 /nfs/dbraw/zinc/03/33/57/1068033357.db2.gz FXFFCJYBDFLJNC-HXUWFJFHSA-N 1 0 495.672 4.055 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCOC(C)C ZINC001492563990 1068047975 /nfs/dbraw/zinc/04/79/75/1068047975.db2.gz SKROMIUEDJEYLN-UHFFFAOYSA-N 1 0 455.647 4.007 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300271851 1068053299 /nfs/dbraw/zinc/05/32/99/1068053299.db2.gz MUIYVFQUOWCWAG-URXFXBBRSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300278310 1068065207 /nfs/dbraw/zinc/06/52/07/1068065207.db2.gz QQZUBPXBFYLPSK-QFIPXVFZSA-N 1 0 451.571 4.308 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC(F)(F)F)cc1 ZINC001300284890 1068081876 /nfs/dbraw/zinc/08/18/76/1068081876.db2.gz YPKTYBAPICUENV-UHFFFAOYSA-N 1 0 455.525 4.175 20 0 JIADRO COc1cc(NC(=O)c2ccc3c[nH+]cn3c2C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001353400403 1068088498 /nfs/dbraw/zinc/08/84/98/1068088498.db2.gz KOYNFUUFRVEGMR-HOTGVXAUSA-N 1 0 450.539 4.315 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300290171 1068093389 /nfs/dbraw/zinc/09/33/89/1068093389.db2.gz IPJAXOJNDFZXCB-NRFANRHFSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300295948 1068117261 /nfs/dbraw/zinc/11/72/61/1068117261.db2.gz HFMVROYUMKXUAS-DEOSSOPVSA-N 1 0 485.673 4.239 20 0 JIADRO Cc1ccc(NC(=S)N2CCC[C@@H]([NH+]3CC(CNC(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001200336244 1068117598 /nfs/dbraw/zinc/11/75/98/1068117598.db2.gz POSKGXKYKLFNHN-QGZVFWFLSA-N 1 0 453.052 4.266 20 0 JIADRO CCc1nc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)nn1-c1ccccc1F ZINC001353442964 1068138114 /nfs/dbraw/zinc/13/81/14/1068138114.db2.gz LMRYKVJADNJGQY-UHFFFAOYSA-N 1 0 453.587 4.432 20 0 JIADRO O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000510162862 1068154859 /nfs/dbraw/zinc/15/48/59/1068154859.db2.gz ZJUMNZGTJJQECQ-UHFFFAOYSA-N 1 0 452.628 4.187 20 0 JIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001473433378 1068175981 /nfs/dbraw/zinc/17/59/81/1068175981.db2.gz VCLMSSKYVLMRBS-IBGZPJMESA-N 1 0 458.002 4.498 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001353483536 1068192795 /nfs/dbraw/zinc/19/27/95/1068192795.db2.gz XSHNIEXJXJDBAC-UHFFFAOYSA-N 1 0 453.583 4.309 20 0 JIADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000499371366 1068228754 /nfs/dbraw/zinc/22/87/54/1068228754.db2.gz XPDKGVPXCVJACX-MRXNPFEDSA-N 1 0 499.464 4.475 20 0 JIADRO O=C(C[NH+]1CCC(Cc2c(F)cccc2F)CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC001473543893 1068230680 /nfs/dbraw/zinc/23/06/80/1068230680.db2.gz GWCKZZFCVIFCMP-UHFFFAOYSA-N 1 0 456.455 4.477 20 0 JIADRO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001473544106 1068232408 /nfs/dbraw/zinc/23/24/08/1068232408.db2.gz WXWGJKBDZKDYHY-HNNXBMFYSA-N 1 0 451.633 4.068 20 0 JIADRO CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001473544694 1068233367 /nfs/dbraw/zinc/23/33/67/1068233367.db2.gz IQVVGTRLTDSEMH-UHFFFAOYSA-N 1 0 455.521 4.405 20 0 JIADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001473551928 1068245466 /nfs/dbraw/zinc/24/54/66/1068245466.db2.gz SGVBXNOPPRUVAV-ZHHKINOHSA-N 1 0 481.678 4.274 20 0 JIADRO CC1(C)CC[N@H+](CCNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200365259 1068255533 /nfs/dbraw/zinc/25/55/33/1068255533.db2.gz ZVGGYEZVCRFSGY-UHFFFAOYSA-N 1 0 450.370 4.494 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2s1 ZINC000612173721 1068272782 /nfs/dbraw/zinc/27/27/82/1068272782.db2.gz CUAAUDZYCUHNOD-UHFFFAOYSA-N 1 0 494.646 4.187 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2nnc(NCCc3ccccc3)s2)CC1 ZINC000614000222 1068305509 /nfs/dbraw/zinc/30/55/09/1068305509.db2.gz RCYPFIDUYJEZAR-UHFFFAOYSA-N 1 0 481.691 4.374 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccco2)[NH+](C)C)c1 ZINC001300335638 1068308529 /nfs/dbraw/zinc/30/85/29/1068308529.db2.gz UXHIWCCBHUOMQB-NQIIRXRSSA-N 1 0 489.580 4.027 20 0 JIADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001353545682 1068312246 /nfs/dbraw/zinc/31/22/46/1068312246.db2.gz ALAAYQZEGUVDEE-WOJBJXKFSA-N 1 0 457.640 4.068 20 0 JIADRO C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165593 1068321633 /nfs/dbraw/zinc/32/16/33/1068321633.db2.gz OYKANGMVVQOKPE-RXVVDRJESA-N 1 0 467.664 4.064 20 0 JIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1nn(-c2ccccc2)cc1Br ZINC001353557753 1068322201 /nfs/dbraw/zinc/32/22/01/1068322201.db2.gz AGXZVHPKOXRKLI-UHFFFAOYSA-N 1 0 453.384 4.072 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300340849 1068325451 /nfs/dbraw/zinc/32/54/51/1068325451.db2.gz PVMMBFCDJGLBNT-YKSBVNFPSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300341088 1068326140 /nfs/dbraw/zinc/32/61/40/1068326140.db2.gz QGMIKEQNDXUULE-HXUWFJFHSA-N 1 0 481.563 4.141 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC(C)(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300341104 1068326743 /nfs/dbraw/zinc/32/67/43/1068326743.db2.gz QJAZUAYORARLFY-KCWPFWIISA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)[NH+]2CCCC2)c1 ZINC001300341190 1068327370 /nfs/dbraw/zinc/32/73/70/1068327370.db2.gz QYWQDZRJJLRJDU-NOZRDPDXSA-N 1 0 496.700 4.063 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)cc2)C[C@@H](C)O1 ZINC000521747941 1068334454 /nfs/dbraw/zinc/33/44/54/1068334454.db2.gz DYQTZRKOKFMHPV-IAGOWNOFSA-N 1 0 469.586 4.199 20 0 JIADRO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000522269942 1068338837 /nfs/dbraw/zinc/33/88/37/1068338837.db2.gz OGOFZDYLVHGKGP-HNNXBMFYSA-N 1 0 482.635 4.082 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)n1 ZINC000522270197 1068339114 /nfs/dbraw/zinc/33/91/14/1068339114.db2.gz OKWWBMCJHFBRHH-UHFFFAOYSA-N 1 0 460.401 4.147 20 0 JIADRO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522313911 1068339561 /nfs/dbraw/zinc/33/95/61/1068339561.db2.gz UWARCJGDIBPUFO-HNNXBMFYSA-N 1 0 458.335 4.224 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cccc(CNc3ccnc(C)n3)c2)[NH+]2CCCCC2)cc1 ZINC000622280322 1068360723 /nfs/dbraw/zinc/36/07/23/1068360723.db2.gz SRDMGRMYZZYTIQ-VWLOTQADSA-N 1 0 459.594 4.363 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300350866 1068361560 /nfs/dbraw/zinc/36/15/60/1068361560.db2.gz ONEJPFPDNUNXGE-OALUTQOASA-N 1 0 452.603 4.255 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300351482 1068363100 /nfs/dbraw/zinc/36/31/00/1068363100.db2.gz KVVTWHONNJRKQS-NHCUHLMSSA-N 1 0 485.673 4.157 20 0 JIADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001474154587 1068364408 /nfs/dbraw/zinc/36/44/08/1068364408.db2.gz IOBXANBUYSLTQZ-GJZGRUSLSA-N 1 0 456.484 4.281 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001474154589 1068364419 /nfs/dbraw/zinc/36/44/19/1068364419.db2.gz IOBXANBUYSLTQZ-LSDHHAIUSA-N 1 0 456.484 4.281 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300359545 1068383545 /nfs/dbraw/zinc/38/35/45/1068383545.db2.gz DQXPMRYQOADIML-LMVRJCEZSA-N 1 0 495.590 4.478 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001300360255 1068386075 /nfs/dbraw/zinc/38/60/75/1068386075.db2.gz IZZVDJGEFTXIGL-NHCUHLMSSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300377787 1068457658 /nfs/dbraw/zinc/45/76/58/1068457658.db2.gz LMDSKBRPEJJVOV-LVXARBLLSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300378232 1068459780 /nfs/dbraw/zinc/45/97/80/1068459780.db2.gz ZZGKGUAPDQAAOC-NSHGMRRFSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCOC(C)C)c1 ZINC001300379768 1068465690 /nfs/dbraw/zinc/46/56/90/1068465690.db2.gz VAQDFENICYRJCH-VXKWHMMOSA-N 1 0 455.647 4.470 20 0 JIADRO Fc1cccc(-c2ccc3nc(C4CCN(C(=S)NCC[NH+]5CCCCC5)CC4)nn3c2)c1 ZINC001200421600 1068475297 /nfs/dbraw/zinc/47/52/97/1068475297.db2.gz MBDSWSHKZMADNE-UHFFFAOYSA-N 1 0 466.630 4.075 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CCN(C(=S)NCC[NH+]3CCCCC3)[C@@H]2C(F)(F)F)CC1 ZINC001200422925 1068483213 /nfs/dbraw/zinc/48/32/13/1068483213.db2.gz JXBJIYUEESNQJS-KRWDZBQOSA-N 1 0 478.625 4.001 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCN(C)CC(F)(F)F)c1 ZINC001300389099 1068499549 /nfs/dbraw/zinc/49/95/49/1068499549.db2.gz MTXYFWCCRKTIAA-UHFFFAOYSA-N 1 0 494.606 4.293 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200427621 1068503164 /nfs/dbraw/zinc/50/31/64/1068503164.db2.gz HRDXGXNVXWQDRZ-JOCHJYFZSA-N 1 0 460.688 4.249 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CSCCS2)c1 ZINC001300390669 1068506844 /nfs/dbraw/zinc/50/68/44/1068506844.db2.gz YXABJQBLZHJLQH-NRFANRHFSA-N 1 0 475.728 4.361 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(Cc2ccccn2)C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200431590 1068517470 /nfs/dbraw/zinc/51/74/70/1068517470.db2.gz HPFDBRGIXLNYTI-AQYVVDRMSA-N 1 0 475.703 4.080 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)c(Br)s1 ZINC001353735696 1068526862 /nfs/dbraw/zinc/52/68/62/1068526862.db2.gz QSRFFYSKNNYYLK-INIZCTEOSA-N 1 0 450.402 4.238 20 0 JIADRO COc1cccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001300395586 1068531326 /nfs/dbraw/zinc/53/13/26/1068531326.db2.gz QLDFXGHAQWIHPG-DYESRHJHSA-N 1 0 455.628 4.322 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CCO2)c1 ZINC001300406133 1068568961 /nfs/dbraw/zinc/56/89/61/1068568961.db2.gz AAJJNQNFGQSHBB-QHCPKHFHSA-N 1 0 455.647 4.427 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001300406365 1068571583 /nfs/dbraw/zinc/57/15/83/1068571583.db2.gz CWNSTMTYFJWQPR-XMMPIXPASA-N 1 0 466.630 4.369 20 0 JIADRO CN(C)c1cc[nH+]c(CNC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001200447363 1068584535 /nfs/dbraw/zinc/58/45/35/1068584535.db2.gz MZOXHOUVINVWGT-UHFFFAOYSA-N 1 0 457.534 4.488 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 ZINC001353790420 1068588411 /nfs/dbraw/zinc/58/84/11/1068588411.db2.gz UYWAFXPXWFYKKC-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO Brc1cc(Br)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC001200460114 1068642050 /nfs/dbraw/zinc/64/20/50/1068642050.db2.gz SFFZMORVFJMBGU-UHFFFAOYSA-N 1 0 456.178 4.454 20 0 JIADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001353844542 1068654314 /nfs/dbraw/zinc/65/43/14/1068654314.db2.gz GJPSQGIHSKWBIW-PTUXOGIPSA-N 1 0 453.583 4.373 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)c1 ZINC001300448564 1068746980 /nfs/dbraw/zinc/74/69/80/1068746980.db2.gz GMBSZQZROXIMNP-RJGXRXQPSA-N 1 0 498.716 4.047 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001300453042 1068764223 /nfs/dbraw/zinc/76/42/23/1068764223.db2.gz ZPDQTYDDWMENNB-SIBVEZHUSA-N 1 0 471.646 4.162 20 0 JIADRO COc1ccccc1[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC(C)C ZINC001300455915 1068774792 /nfs/dbraw/zinc/77/47/92/1068774792.db2.gz DLZVFWZGDWXSPK-DEOSSOPVSA-N 1 0 495.672 4.164 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001300456375 1068775539 /nfs/dbraw/zinc/77/55/39/1068775539.db2.gz FEKWBZDGPWEHNE-UNMCSNQZSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCC(C)C)[NH+]1CCCC1 ZINC001300460076 1068790523 /nfs/dbraw/zinc/79/05/23/1068790523.db2.gz RJXPDUFSZOGDRA-JOCHJYFZSA-N 1 0 451.619 4.007 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300462981 1068800778 /nfs/dbraw/zinc/80/07/78/1068800778.db2.gz BFAXSFPCRZIYSO-FYYLOGMGSA-N 1 0 468.690 4.242 20 0 JIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC001200517134 1068806619 /nfs/dbraw/zinc/80/66/19/1068806619.db2.gz XODGOFIPAKWNQQ-YTTGMZPUSA-N 1 0 451.592 4.257 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300469349 1068809912 /nfs/dbraw/zinc/80/99/12/1068809912.db2.gz HYEIWQWQQBUXOF-NRFANRHFSA-N 1 0 454.644 4.475 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300470565 1068811397 /nfs/dbraw/zinc/81/13/97/1068811397.db2.gz RITWPKXWWKBSQH-SFHVURJKSA-N 1 0 472.037 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300470828 1068811626 /nfs/dbraw/zinc/81/16/26/1068811626.db2.gz OSZLXBLVSWIHGY-FYYLOGMGSA-N 1 0 453.631 4.103 20 0 JIADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=S)NCc2cccc(OC)c2OC)cc1 ZINC001200521117 1068811648 /nfs/dbraw/zinc/81/16/48/1068811648.db2.gz NJFBSFWUPOIRIU-OAQYLSRUSA-N 1 0 457.640 4.073 20 0 JIADRO C[C@@H]1CCCN(C(=O)CCNC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001353977138 1068812422 /nfs/dbraw/zinc/81/24/22/1068812422.db2.gz VQIDGJCVWZKOOT-JOCHJYFZSA-N 1 0 462.638 4.397 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001492565985 1068821235 /nfs/dbraw/zinc/82/12/35/1068821235.db2.gz KXVOSKKBNOAANK-HSZRJFAPSA-N 1 0 466.674 4.261 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300475332 1068823462 /nfs/dbraw/zinc/82/34/62/1068823462.db2.gz SYOQFIUBULWJNR-FQEVSTJZSA-N 1 0 454.644 4.210 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCCSC)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300475810 1068824526 /nfs/dbraw/zinc/82/45/26/1068824526.db2.gz VQKCKVHGWZNYDH-UHFFFAOYSA-N 1 0 473.687 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001300481303 1068835504 /nfs/dbraw/zinc/83/55/04/1068835504.db2.gz OFQHSJXXJDNQKU-MOPGFXCFSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300481958 1068837041 /nfs/dbraw/zinc/83/70/41/1068837041.db2.gz STMGNXCKHHVVTJ-HBMCJLEFSA-N 1 0 455.647 4.324 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300483531 1068839518 /nfs/dbraw/zinc/83/95/18/1068839518.db2.gz PHCDFLYUQQUHKZ-QFIPXVFZSA-N 1 0 468.690 4.100 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492568051 1068840565 /nfs/dbraw/zinc/84/05/65/1068840565.db2.gz QCTGFXFGPHOOIH-OAQYLSRUSA-N 1 0 470.662 4.429 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492568360 1068844200 /nfs/dbraw/zinc/84/42/00/1068844200.db2.gz NKZPCFGYTOLXFU-LEWJYISDSA-N 1 0 478.607 4.447 20 0 JIADRO COc1cc(NC(=S)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(OC)cc1Cl ZINC001200534773 1068844543 /nfs/dbraw/zinc/84/45/43/1068844543.db2.gz CGLQZVFYRIVVHL-UHFFFAOYSA-N 1 0 461.031 4.437 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535051 1068845387 /nfs/dbraw/zinc/84/53/87/1068845387.db2.gz FMJPDVNCVZNKMF-DOTOQJQBSA-N 1 0 465.978 4.031 20 0 JIADRO COc1cc(NC(=S)N2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200539705 1068853825 /nfs/dbraw/zinc/85/38/25/1068853825.db2.gz HRBBKVQHJBNBND-OAHLLOKOSA-N 1 0 499.077 4.117 20 0 JIADRO COc1cc(NC(=S)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200540956 1068856580 /nfs/dbraw/zinc/85/65/80/1068856580.db2.gz ZKPOZLNHODBCJO-INIZCTEOSA-N 1 0 499.077 4.117 20 0 JIADRO COCC[S@@](=O)Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001200543211 1068860797 /nfs/dbraw/zinc/86/07/97/1068860797.db2.gz RYOQKVKYENUXAT-GPNASLBKSA-N 1 0 457.640 4.100 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300499687 1068867614 /nfs/dbraw/zinc/86/76/14/1068867614.db2.gz TVGMSXXHKNCLLD-PMACEKPBSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513745 1068894861 /nfs/dbraw/zinc/89/48/61/1068894861.db2.gz PIYQARBJJHEPPS-IRLDBZIGSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300520148 1068910063 /nfs/dbraw/zinc/91/00/63/1068910063.db2.gz XXOWKFIGGAZIPV-PKOBYXMFSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001354133502 1068920026 /nfs/dbraw/zinc/92/00/26/1068920026.db2.gz FCGPMUWWWHKZPC-JTHBVZDNSA-N 1 0 451.567 4.261 20 0 JIADRO Cc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c(I)cc1Cl ZINC001354143337 1068929549 /nfs/dbraw/zinc/92/95/49/1068929549.db2.gz JYFUZHGAJJIOMI-UHFFFAOYSA-N 1 0 458.727 4.446 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492569061 1068964538 /nfs/dbraw/zinc/96/45/38/1068964538.db2.gz KLWZJQZUGBMLCX-UHFFFAOYSA-N 1 0 468.646 4.185 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300539439 1068966735 /nfs/dbraw/zinc/96/67/35/1068966735.db2.gz GDLQQKCULPEATB-VXKWHMMOSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cscn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300539697 1068967818 /nfs/dbraw/zinc/96/78/18/1068967818.db2.gz KXONWWOFBIVUJF-IBGZPJMESA-N 1 0 454.644 4.091 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492568737 1068978346 /nfs/dbraw/zinc/97/83/46/1068978346.db2.gz XQJVUQZOBAEHLA-QHCPKHFHSA-N 1 0 482.673 4.433 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001474626341 1068979352 /nfs/dbraw/zinc/97/93/52/1068979352.db2.gz VKWHDXFXYGYRHP-UTJXIGIESA-N 1 0 464.242 4.071 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300546580 1068985071 /nfs/dbraw/zinc/98/50/71/1068985071.db2.gz CPHSKJMPCBBQAU-XQBPLPMBSA-N 1 0 495.590 4.154 20 0 JIADRO 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COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300562325 1069036658 /nfs/dbraw/zinc/03/66/58/1069036658.db2.gz JKBUZFBDHMONBN-BKMJKUGQSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300564509 1069046769 /nfs/dbraw/zinc/04/67/69/1069046769.db2.gz QXUGNBRVDWBFLA-SFTDATJTSA-N 1 0 469.674 4.392 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479964 1069048853 /nfs/dbraw/zinc/04/88/53/1069048853.db2.gz ZJSAQIOJKIORIK-MHZLTWQESA-N 1 0 465.686 4.423 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486019 1069052795 /nfs/dbraw/zinc/05/27/95/1069052795.db2.gz DODYKALAXFAKDJ-GOTSBHOMSA-N 1 0 451.640 4.025 20 0 JIADRO COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849491099 1069057632 /nfs/dbraw/zinc/05/76/32/1069057632.db2.gz QZGFVIRJDGFSJC-AZUAARDMSA-N 1 0 453.612 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849491538 1069060321 /nfs/dbraw/zinc/06/03/21/1069060321.db2.gz YXFBKLFNQVMCKY-RPBOFIJWSA-N 1 0 450.558 4.482 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001300567289 1069060540 /nfs/dbraw/zinc/06/05/40/1069060540.db2.gz KWAALORWSVUSQW-LJQANCHMSA-N 1 0 466.630 4.207 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(C)C ZINC001300567347 1069061327 /nfs/dbraw/zinc/06/13/27/1069061327.db2.gz FOFAWJJGEISWIC-JOCHJYFZSA-N 1 0 469.674 4.108 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1(c2cccc(Br)c2)CCCC1 ZINC001300567490 1069061341 /nfs/dbraw/zinc/06/13/41/1069061341.db2.gz SPIGGXBPOFINMR-QFIPXVFZSA-N 1 0 457.412 4.144 20 0 JIADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849492727 1069062853 /nfs/dbraw/zinc/06/28/53/1069062853.db2.gz XTQNHAUWFRWGHN-VWNXMTODSA-N 1 0 476.577 4.101 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493853 1069063740 /nfs/dbraw/zinc/06/37/40/1069063740.db2.gz MODFMJKODUNMOL-UXHICEINSA-N 1 0 481.622 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849493641 1069064642 /nfs/dbraw/zinc/06/46/42/1069064642.db2.gz YIDMRYDXVKCRPE-VSGBNLITSA-N 1 0 496.659 4.462 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494615 1069066958 /nfs/dbraw/zinc/06/69/58/1069066958.db2.gz WQXDYJRTUWUDOO-RTBURBONSA-N 1 0 486.498 4.104 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@H](c2cnn(C)c2)C1 ZINC000849496493 1069068569 /nfs/dbraw/zinc/06/85/69/1069068569.db2.gz KPTQDKZVZIUVFG-MOPGFXCFSA-N 1 0 469.973 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499024 1069070455 /nfs/dbraw/zinc/07/04/55/1069070455.db2.gz CIIKLEMLFOKOCT-KYPHJKQUSA-N 1 0 488.611 4.281 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499626 1069071358 /nfs/dbraw/zinc/07/13/58/1069071358.db2.gz XGAKKWMAIOBLCR-FTJBHMTQSA-N 1 0 464.585 4.269 20 0 JIADRO CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc2s1 ZINC000849500200 1069072244 /nfs/dbraw/zinc/07/22/44/1069072244.db2.gz XGNLXYZETGGVII-WOJBJXKFSA-N 1 0 454.596 4.264 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)[NH+]2CCCC2)cc1 ZINC000504150188 1069074185 /nfs/dbraw/zinc/07/41/85/1069074185.db2.gz BJSZQZWPAHKZCY-NRFANRHFSA-N 1 0 467.595 4.105 20 0 JIADRO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502177 1069074737 /nfs/dbraw/zinc/07/47/37/1069074737.db2.gz ZCRRYFOJUDGIJH-DHLKQENFSA-N 1 0 461.610 4.040 20 0 JIADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ncc(I)s1 ZINC001200620552 1069075743 /nfs/dbraw/zinc/07/57/43/1069075743.db2.gz DERIOUAHMYXMKT-UHFFFAOYSA-N 1 0 453.349 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849505576 1069087054 /nfs/dbraw/zinc/08/70/54/1069087054.db2.gz IGBUFYKRLIQZMO-VQTJNVASSA-N 1 0 460.504 4.077 20 0 JIADRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849507223 1069087283 /nfs/dbraw/zinc/08/72/83/1069087283.db2.gz PPUBVQMDQYZYNS-ILBGXUMGSA-N 1 0 462.642 4.004 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507414 1069088038 /nfs/dbraw/zinc/08/80/38/1069088038.db2.gz ZGPOMRSSFTWRTM-GOTSBHOMSA-N 1 0 462.560 4.346 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001300574376 1069093069 /nfs/dbraw/zinc/09/30/69/1069093069.db2.gz WOOIJAZNKKJOBR-PSWAGMNNSA-N 1 0 480.701 4.229 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300574607 1069094328 /nfs/dbraw/zinc/09/43/28/1069094328.db2.gz ZQJHIXFRHDSTIE-XZOQPEGZSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300574604 1069094447 /nfs/dbraw/zinc/09/44/47/1069094447.db2.gz ZQJHIXFRHDSTIE-DHIUTWEWSA-N 1 0 469.674 4.249 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849510836 1069095447 /nfs/dbraw/zinc/09/54/47/1069095447.db2.gz VEXNSRQRQUMUQB-XPWALMASSA-N 1 0 473.459 4.230 20 0 JIADRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849512214 1069095671 /nfs/dbraw/zinc/09/56/71/1069095671.db2.gz BIJFNJDFTNQVGG-OUIFVKKZSA-N 1 0 460.622 4.124 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849511574 1069096344 /nfs/dbraw/zinc/09/63/44/1069096344.db2.gz ZVYNJUJLDKTRDA-FXSPECFOSA-N 1 0 470.621 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849513856 1069098314 /nfs/dbraw/zinc/09/83/14/1069098314.db2.gz FGSZVNDOWJKEDO-RPWUZVMVSA-N 1 0 467.589 4.119 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515366 1069099133 /nfs/dbraw/zinc/09/91/33/1069099133.db2.gz GEQRPXUTQCILPC-DLBZAZTESA-N 1 0 480.922 4.260 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514895 1069099555 /nfs/dbraw/zinc/09/95/55/1069099555.db2.gz JPFFKGMSTGSDLK-LEWJYISDSA-N 1 0 461.448 4.091 20 0 JIADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc(CC[NH+](C)C)c2)cc1 ZINC001300576337 1069100327 /nfs/dbraw/zinc/10/03/27/1069100327.db2.gz XAZALWFVGMCRBQ-DQEYMECFSA-N 1 0 481.637 4.322 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514571 1069101003 /nfs/dbraw/zinc/10/10/03/1069101003.db2.gz IEFYNEZUUFHYRO-RTWAWAEBSA-N 1 0 485.430 4.129 20 0 JIADRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)C1 ZINC001300576502 1069101709 /nfs/dbraw/zinc/10/17/09/1069101709.db2.gz ZXCNVFOOFRLJLX-PMVMPFDFSA-N 1 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462.598 4.038 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518619 1069110023 /nfs/dbraw/zinc/11/00/23/1069110023.db2.gz SBVGNCRSBXCBML-URLMMPGGSA-N 1 0 496.659 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520490 1069113469 /nfs/dbraw/zinc/11/34/69/1069113469.db2.gz NHKUYKBXJGDPRR-XZOQPEGZSA-N 1 0 477.584 4.193 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849521753 1069115205 /nfs/dbraw/zinc/11/52/05/1069115205.db2.gz GRIJUNUKMCMAOM-RPBOFIJWSA-N 1 0 460.578 4.230 20 0 JIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849524313 1069117469 /nfs/dbraw/zinc/11/74/69/1069117469.db2.gz ZULUTIADWVZCRI-LOSJGSFVSA-N 1 0 454.659 4.363 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849525313 1069118142 /nfs/dbraw/zinc/11/81/42/1069118142.db2.gz MQCGZPNHJWJVHI-SJORKVTESA-N 1 0 481.544 4.424 20 0 JIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849525965 1069123430 /nfs/dbraw/zinc/12/34/30/1069123430.db2.gz PVMDIEKPEPKSNG-UXHICEINSA-N 1 0 460.022 4.007 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849527142 1069125037 /nfs/dbraw/zinc/12/50/37/1069125037.db2.gz VDMFHEMCDKCLBQ-LEWJYISDSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849529794 1069133315 /nfs/dbraw/zinc/13/33/15/1069133315.db2.gz KBSWCAGNNWTEJG-LEWJYISDSA-N 1 0 457.688 4.394 20 0 JIADRO COc1ccccc1CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300589693 1069147045 /nfs/dbraw/zinc/14/70/45/1069147045.db2.gz OSEKWDSYBZXZHJ-UHFFFAOYSA-N 1 0 462.642 4.456 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC23CCOCC3)cn1 ZINC000849536006 1069154340 /nfs/dbraw/zinc/15/43/40/1069154340.db2.gz TXTTWAVHWUBQMC-RUZDIDTESA-N 1 0 450.627 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849546410 1069181164 /nfs/dbraw/zinc/18/11/64/1069181164.db2.gz ANKNWJJTAHWNLJ-DVIHYUSWSA-N 1 0 470.683 4.454 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2ccsc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300598947 1069181540 /nfs/dbraw/zinc/18/15/40/1069181540.db2.gz WJNRBGIZUAPDGM-UHFFFAOYSA-N 1 0 471.696 4.403 20 0 JIADRO CCCCOCCN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548566 1069188146 /nfs/dbraw/zinc/18/81/46/1069188146.db2.gz NAJPFBJSLZGHMM-FCHUYYIVSA-N 1 0 477.447 4.068 20 0 JIADRO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552376 1069191705 /nfs/dbraw/zinc/19/17/05/1069191705.db2.gz FBNRWLWOUPOLPU-RBBKRZOGSA-N 1 0 482.968 4.326 20 0 JIADRO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849552312 1069193473 /nfs/dbraw/zinc/19/34/73/1069193473.db2.gz NSWMSORHUFOWLA-WDJPJFJCSA-N 1 0 473.061 4.377 20 0 JIADRO COc1ccccc1[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551955 1069193537 /nfs/dbraw/zinc/19/35/37/1069193537.db2.gz LRJHEWIZJROEDX-NSXLHWASSA-N 1 0 452.986 4.023 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551919 1069193995 /nfs/dbraw/zinc/19/39/95/1069193995.db2.gz GXFMCKTXPDIQCF-NHCUHLMSSA-N 1 0 481.000 4.069 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552155 1069194037 /nfs/dbraw/zinc/19/40/37/1069194037.db2.gz HFEXGUSVKNYOKE-NHCUHLMSSA-N 1 0 459.432 4.194 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553364 1069195133 /nfs/dbraw/zinc/19/51/33/1069195133.db2.gz JDNAUUMYGYIQCO-IMSXRSKXSA-N 1 0 470.589 4.361 20 0 JIADRO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849552808 1069195829 /nfs/dbraw/zinc/19/58/29/1069195829.db2.gz GTQJALFMKYCECR-VXKWHMMOSA-N 1 0 450.549 4.176 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849553226 1069196327 /nfs/dbraw/zinc/19/63/27/1069196327.db2.gz QJEVOAHAIIAFCQ-FCHUYYIVSA-N 1 0 473.459 4.187 20 0 JIADRO COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1F ZINC000849554159 1069197349 /nfs/dbraw/zinc/19/73/49/1069197349.db2.gz UYLBDLJIHAVNQH-YADHBBJMSA-N 1 0 454.546 4.208 20 0 JIADRO Cc1sc(CCNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555461 1069198592 /nfs/dbraw/zinc/19/85/92/1069198592.db2.gz YZHXMIDRGDDABG-FGZHOGPDSA-N 1 0 451.640 4.025 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000849554852 1069200690 /nfs/dbraw/zinc/20/06/90/1069200690.db2.gz WMTKWQSQDXKCSQ-GJZGRUSLSA-N 1 0 462.488 4.470 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555129 1069200903 /nfs/dbraw/zinc/20/09/03/1069200903.db2.gz XHZJEMUPAUHGTF-YADHBBJMSA-N 1 0 465.425 4.080 20 0 JIADRO COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849562180 1069210547 /nfs/dbraw/zinc/21/05/47/1069210547.db2.gz JTJSRUDDOJDYNS-MJGOQNOKSA-N 1 0 457.575 4.144 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300610307 1069213490 /nfs/dbraw/zinc/21/34/90/1069213490.db2.gz MTCXJNAPHKVKNX-PSWAGMNNSA-N 1 0 482.717 4.490 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(I)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849563689 1069213343 /nfs/dbraw/zinc/21/33/43/1069213343.db2.gz RUJMQEWGXRGUJV-HOTGVXAUSA-N 1 0 486.785 4.131 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568413 1069219981 /nfs/dbraw/zinc/21/99/81/1069219981.db2.gz NYNKAVNSVIVIPJ-VJGNERBWSA-N 1 0 492.067 4.043 20 0 JIADRO Cc1cc(CN(CC(C)C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc(N2CCCCC2)n1 ZINC000849569057 1069220226 /nfs/dbraw/zinc/22/02/26/1069220226.db2.gz RFZNIDQYHWMZAK-FTJBHMTQSA-N 1 0 495.716 4.008 20 0 JIADRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)CC1 ZINC001200666303 1069221627 /nfs/dbraw/zinc/22/16/27/1069221627.db2.gz FHJIMQVBMIDORZ-UHFFFAOYSA-N 1 0 454.587 4.115 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cn1 ZINC000849571393 1069221942 /nfs/dbraw/zinc/22/19/42/1069221942.db2.gz IKTXUVLVPUHLDS-ZWOKBUDYSA-N 1 0 454.924 4.395 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000849570790 1069222177 /nfs/dbraw/zinc/22/21/77/1069222177.db2.gz DHPMBNYCPLSUIC-CDIGIKMISA-N 1 0 468.642 4.080 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571547 1069223781 /nfs/dbraw/zinc/22/37/81/1069223781.db2.gz JGPJPQFAKDSGOA-RPWUZVMVSA-N 1 0 481.438 4.447 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849575075 1069227208 /nfs/dbraw/zinc/22/72/08/1069227208.db2.gz BLFYGCCPCZRMPC-BHIFYINESA-N 1 0 475.033 4.474 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849578004 1069229602 /nfs/dbraw/zinc/22/96/02/1069229602.db2.gz KEALODCZRVUFRM-RPBOFIJWSA-N 1 0 464.585 4.269 20 0 JIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849577730 1069229973 /nfs/dbraw/zinc/22/99/73/1069229973.db2.gz SKIVLSVHIIKOHB-KAYWLYCHSA-N 1 0 460.622 4.473 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577582 1069230122 /nfs/dbraw/zinc/23/01/22/1069230122.db2.gz OAZBACBQIRSZPD-FKBYEOEOSA-N 1 0 477.422 4.403 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581598 1069233227 /nfs/dbraw/zinc/23/32/27/1069233227.db2.gz IAQQMOWKJNKTAE-MOPGFXCFSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582032 1069233347 /nfs/dbraw/zinc/23/33/47/1069233347.db2.gz KDURYRVXCHZBGA-UONOGXRCSA-N 1 0 480.407 4.384 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849583343 1069233802 /nfs/dbraw/zinc/23/38/02/1069233802.db2.gz SUSIWWWZBZKNCB-OALUTQOASA-N 1 0 467.839 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849587285 1069237865 /nfs/dbraw/zinc/23/78/65/1069237865.db2.gz SIJVECUAGHOXLI-NNMXDRDESA-N 1 0 477.422 4.499 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586747 1069238457 /nfs/dbraw/zinc/23/84/57/1069238457.db2.gz FTBOXUGEVMFMHR-SJORKVTESA-N 1 0 461.994 4.242 20 0 JIADRO COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588081 1069240025 /nfs/dbraw/zinc/24/00/25/1069240025.db2.gz PIOAOEUVIPNJBA-JWQCQUIFSA-N 1 0 468.642 4.080 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849588568 1069241399 /nfs/dbraw/zinc/24/13/99/1069241399.db2.gz ROTINXWKLPHDHB-ROUUACIJSA-N 1 0 456.484 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590945 1069243059 /nfs/dbraw/zinc/24/30/59/1069243059.db2.gz FPPWRORWWVXOMP-FDFHNCONSA-N 1 0 464.532 4.400 20 0 JIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccn(-c2ccc(Br)cc2)n1 ZINC001354472305 1069244348 /nfs/dbraw/zinc/24/43/48/1069244348.db2.gz AKPQEUGSOJVMOB-UHFFFAOYSA-N 1 0 453.384 4.072 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849595497 1069246109 /nfs/dbraw/zinc/24/61/09/1069246109.db2.gz XXWXXSLPOJVUBJ-LEWJYISDSA-N 1 0 467.614 4.022 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300622532 1069246931 /nfs/dbraw/zinc/24/69/31/1069246931.db2.gz KQUXOTXNRLICNH-LJQANCHMSA-N 1 0 485.032 4.248 20 0 JIADRO Cc1sc(C2(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596371 1069248688 /nfs/dbraw/zinc/24/86/88/1069248688.db2.gz MTZQFDBTXLUHKL-QUCCMNQESA-N 1 0 467.614 4.222 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000849597711 1069253986 /nfs/dbraw/zinc/25/39/86/1069253986.db2.gz VKFFHTSQNRROEZ-GJZGRUSLSA-N 1 0 464.410 4.054 20 0 JIADRO COc1cccc(Sc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc2)c1 ZINC000849608019 1069264765 /nfs/dbraw/zinc/26/47/65/1069264765.db2.gz MDCYTBHWNFTISC-PKTZIBPZSA-N 1 0 465.623 4.428 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000849610499 1069266321 /nfs/dbraw/zinc/26/63/21/1069266321.db2.gz JSRQLYAPNFZGGD-RRPUWOKSSA-N 1 0 455.027 4.345 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300628177 1069267216 /nfs/dbraw/zinc/26/72/16/1069267216.db2.gz UAQFZSQFDWFIFP-GOSISDBHSA-N 1 0 471.005 4.035 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611277 1069269821 /nfs/dbraw/zinc/26/98/21/1069269821.db2.gz VXXLOHLBTHVZOK-STQMWFEESA-N 1 0 466.430 4.042 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849610727 1069271987 /nfs/dbraw/zinc/27/19/87/1069271987.db2.gz NHUDQGJDEGZPHE-RTBURBONSA-N 1 0 459.432 4.321 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849613039 1069274542 /nfs/dbraw/zinc/27/45/42/1069274542.db2.gz PFJFBRYHANAZGJ-DLBZAZTESA-N 1 0 489.443 4.154 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300631808 1069281229 /nfs/dbraw/zinc/28/12/29/1069281229.db2.gz SKNKLZMMMMPGGW-MOPGFXCFSA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300637669 1069294100 /nfs/dbraw/zinc/29/41/00/1069294100.db2.gz RWACHWJPCKJFSP-SFHVURJKSA-N 1 0 481.563 4.376 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492591704 1069306027 /nfs/dbraw/zinc/30/60/27/1069306027.db2.gz LWMHSTFPYQARPC-HOFKKMOUSA-N 1 0 469.674 4.384 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009120589 562955575 /nfs/dbraw/zinc/95/55/75/562955575.db2.gz SAELUZHUVGEPDC-UHFFFAOYSA-N 1 0 477.630 4.296 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164428028 718952193 /nfs/dbraw/zinc/95/21/93/718952193.db2.gz HTAANTJSZSGRBQ-RDGATRHJSA-N 1 0 477.653 4.118 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619335 719010621 /nfs/dbraw/zinc/01/06/21/719010621.db2.gz VSUXAWLOHBIMFO-CCLHPLFOSA-N 1 0 499.725 4.299 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164614527 719011037 /nfs/dbraw/zinc/01/10/37/719011037.db2.gz FVXHKHDYOHSJHS-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164617867 719011667 /nfs/dbraw/zinc/01/16/67/719011667.db2.gz QGJDYGAQJUPBAV-UWJYYQICSA-N 1 0 453.961 4.004 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CN(CC)CC)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164617167 719032157 /nfs/dbraw/zinc/03/21/57/719032157.db2.gz IQCDQRYYDCJQAE-UHFFFAOYSA-N 1 0 487.714 4.394 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(C)c3)CC2)CC1 ZINC001164617473 719034876 /nfs/dbraw/zinc/03/48/76/719034876.db2.gz KTSNYUKPEQUIJA-UHFFFAOYSA-N 1 0 458.990 4.475 20 0 JIADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2n1C1CCCC1 ZINC001164621094 719078711 /nfs/dbraw/zinc/07/87/11/719078711.db2.gz HAVJNTRHCLAAOZ-OFVILXPXSA-N 1 0 472.637 4.349 20 0 JIADRO O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628975 719087425 /nfs/dbraw/zinc/08/74/25/719087425.db2.gz PHHHQGBGBFBLEC-XRKRLSELSA-N 1 0 495.671 4.140 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@H]54)ccc-3c2=O)cc1 ZINC001164629032 719095275 /nfs/dbraw/zinc/09/52/75/719095275.db2.gz QBAMQMROZKCRQZ-YIXXDRMTSA-N 1 0 468.601 4.347 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164683645 719620190 /nfs/dbraw/zinc/62/01/90/719620190.db2.gz UHJJOPMBDLUPSA-UHFFFAOYSA-N 1 0 471.339 4.205 20 0 JIADRO CC(C)N(C)Cc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679560 719638642 /nfs/dbraw/zinc/63/86/42/719638642.db2.gz GRNAPMILIXXORV-UHFFFAOYSA-N 1 0 493.725 4.228 20 0 JIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684279 719661158 /nfs/dbraw/zinc/66/11/58/719661158.db2.gz WTJIBHOEVWVSGM-SFHVURJKSA-N 1 0 492.014 4.077 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c(Cl)ccnc3Cl)CC2)c2ccccc21 ZINC001164680082 719666729 /nfs/dbraw/zinc/66/67/29/719666729.db2.gz BONNIZMOUVBNHN-QGZVFWFLSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4sc5c(c43)CCC5)CC2)c2ccccc21 ZINC001164681896 719677651 /nfs/dbraw/zinc/67/76/51/719677651.db2.gz OCTAZZMYQFKRIZ-IBGZPJMESA-N 1 0 489.689 4.273 20 0 JIADRO Cc1cc2cccnc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682910 719679936 /nfs/dbraw/zinc/67/99/36/719679936.db2.gz DNHVBSHMMMTUKM-QFIPXVFZSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccsc4)nn3)CC2)c2ccccc21 ZINC001164683175 719681443 /nfs/dbraw/zinc/68/14/43/719681443.db2.gz FILQMXAYOAGFMY-NRFANRHFSA-N 1 0 475.662 4.299 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N4CCN(c5ccccc5)CC4)nn2)CC3)cs1 ZINC001164692129 719813911 /nfs/dbraw/zinc/81/39/11/719813911.db2.gz MELFWPQORFDZGZ-UHFFFAOYSA-N 1 0 489.693 4.203 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2c1C ZINC001164711483 720094474 /nfs/dbraw/zinc/09/44/74/720094474.db2.gz PUCTZDQXNUREMB-HXUWFJFHSA-N 1 0 495.649 4.079 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164710985 720098932 /nfs/dbraw/zinc/09/89/32/720098932.db2.gz MNWBTCZIZBWUBI-IBGZPJMESA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164712083 720101483 /nfs/dbraw/zinc/10/14/83/720101483.db2.gz VERNIUIQGFNDPO-OAQYLSRUSA-N 1 0 465.001 4.095 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164716058 720114981 /nfs/dbraw/zinc/11/49/81/720114981.db2.gz ISSCULJPGJCPNR-SFHVURJKSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164719120 720123675 /nfs/dbraw/zinc/12/36/75/720123675.db2.gz WMQPDWNEWLKFOC-HSZRJFAPSA-N 1 0 470.061 4.233 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164713023 720138365 /nfs/dbraw/zinc/13/83/65/720138365.db2.gz OYDQFCZIFQCZRA-HSZRJFAPSA-N 1 0 472.637 4.133 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164713042 720150242 /nfs/dbraw/zinc/15/02/42/720150242.db2.gz PGIOGZWSWAYFPQ-LJQANCHMSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164713041 720150691 /nfs/dbraw/zinc/15/06/91/720150691.db2.gz PGIOGZWSWAYFPQ-IBGZPJMESA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164711764 720154922 /nfs/dbraw/zinc/15/49/22/720154922.db2.gz JXUBLRIHZQEMHH-NRFANRHFSA-N 1 0 450.558 4.285 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817535 720168364 /nfs/dbraw/zinc/16/83/64/720168364.db2.gz PSTYKUPICKJPLQ-RLWLMLJZSA-N 1 0 469.699 4.089 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816808 720185932 /nfs/dbraw/zinc/18/59/32/720185932.db2.gz MUVCDFUXIKSSFW-WINIVTDRSA-N 1 0 490.677 4.212 20 0 JIADRO Cn1nnc2c1CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716540 720186719 /nfs/dbraw/zinc/18/67/19/720186719.db2.gz GUCNNQNBZPMESW-HHHXNRCGSA-N 1 0 498.631 4.159 20 0 JIADRO Cn1nnc2c1CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716541 720187495 /nfs/dbraw/zinc/18/74/95/720187495.db2.gz GUCNNQNBZPMESW-MHZLTWQESA-N 1 0 498.631 4.159 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816635 720188722 /nfs/dbraw/zinc/18/87/22/720188722.db2.gz LXLJXYVFESXHNS-RBJSKKJNSA-N 1 0 461.654 4.319 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812841 720196948 /nfs/dbraw/zinc/19/69/48/720196948.db2.gz MMIQGBAUENNHRB-NEKDWFFYSA-N 1 0 458.606 4.394 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(OCc3ccccc3)cc1Cl)CCC2 ZINC001164814518 720232528 /nfs/dbraw/zinc/23/25/28/720232528.db2.gz WUYCZBHJUMGPNA-UHFFFAOYSA-N 1 0 468.001 4.121 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164823833 720313413 /nfs/dbraw/zinc/31/34/13/720313413.db2.gz QCPCBQIQVTWDPN-LEWJYISDSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164831950 720321498 /nfs/dbraw/zinc/32/14/98/720321498.db2.gz SJGFFFWHPMCEGZ-RTBURBONSA-N 1 0 498.405 4.393 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825979 720339204 /nfs/dbraw/zinc/33/92/04/720339204.db2.gz KASCDWYCCCGUII-RPBOFIJWSA-N 1 0 486.664 4.008 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164840603 720519967 /nfs/dbraw/zinc/51/99/67/720519967.db2.gz WWHPQRQVNKVUCJ-SGNDLWITSA-N 1 0 493.055 4.239 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1Cl ZINC001164841317 720521755 /nfs/dbraw/zinc/52/17/55/720521755.db2.gz YHHRERDSIAWJJX-LZLYRXPVSA-N 1 0 466.413 4.139 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164842031 720532133 /nfs/dbraw/zinc/53/21/33/720532133.db2.gz WEHZURIXKKLNAS-FSSWDIPSSA-N 1 0 451.018 4.295 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835016 720555717 /nfs/dbraw/zinc/55/57/17/720555717.db2.gz GSGWPNUDICWYEK-RSEQLOHWSA-N 1 0 473.600 4.193 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]21 ZINC001164840842 720590628 /nfs/dbraw/zinc/59/06/28/720590628.db2.gz QYJTUOCOEQBAKY-SDHOMARFSA-N 1 0 468.605 4.299 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839700 720597684 /nfs/dbraw/zinc/59/76/84/720597684.db2.gz OCABFABCNUJAQO-QKNQBKEWSA-N 1 0 450.656 4.453 20 0 JIADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737302 720680195 /nfs/dbraw/zinc/68/01/95/720680195.db2.gz FITPJVLRIDKNDO-CABCVRRESA-N 1 0 466.319 4.218 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844567 720682457 /nfs/dbraw/zinc/68/24/57/720682457.db2.gz UKPLPELVWWXFMA-SFHVURJKSA-N 1 0 479.955 4.326 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839623 720687427 /nfs/dbraw/zinc/68/74/27/720687427.db2.gz APUPRNNWEYKPRV-GOSISDBHSA-N 1 0 479.955 4.326 20 0 JIADRO COc1cc2nc(C)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164844814 720691380 /nfs/dbraw/zinc/69/13/80/720691380.db2.gz UZCMTRVXHHZQKF-NRFANRHFSA-N 1 0 462.594 4.215 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164840500 720699831 /nfs/dbraw/zinc/69/98/31/720699831.db2.gz FPILNTNLEOEJEM-VWLOTQADSA-N 1 0 499.663 4.184 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838313 720703029 /nfs/dbraw/zinc/70/30/29/720703029.db2.gz HZDRFYGTDOQKIQ-IBGZPJMESA-N 1 0 455.006 4.321 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164836925 720706582 /nfs/dbraw/zinc/70/65/82/720706582.db2.gz BXRHWIFQNCFEFU-IBGZPJMESA-N 1 0 473.955 4.483 20 0 JIADRO 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Cc1sc2nc(CN3CCOCC3)nc(N(c3cccc(C)c3)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164777316 721329402 /nfs/dbraw/zinc/32/94/02/721329402.db2.gz LZARVVREFIHHHV-AJTFRIOCSA-N 1 0 493.677 4.108 20 0 JIADRO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c(C)cc2c1 ZINC001164778426 721331834 /nfs/dbraw/zinc/33/18/34/721331834.db2.gz WGGWMPVBNSGEPW-AREMUKBSSA-N 1 0 450.583 4.276 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779743 721353283 /nfs/dbraw/zinc/35/32/83/721353283.db2.gz VJCNCCJKHGNVDZ-MUUNZHRXSA-N 1 0 486.620 4.203 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c21 ZINC001164777788 721353502 /nfs/dbraw/zinc/35/35/02/721353502.db2.gz HWILUQFNTOFJHJ-XMMPIXPASA-N 1 0 471.989 4.016 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164881296 721362170 /nfs/dbraw/zinc/36/21/70/721362170.db2.gz BBAVXXYSQIASJT-VWLOTQADSA-N 1 0 489.668 4.282 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C2)C1 ZINC001164782211 721364464 /nfs/dbraw/zinc/36/44/64/721364464.db2.gz LCGBMUZJGSFXGE-VWLOTQADSA-N 1 0 481.000 4.488 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889421 721404623 /nfs/dbraw/zinc/40/46/23/721404623.db2.gz QGRPFOQZHYPNNZ-NZQKXSOJSA-N 1 0 464.988 4.199 20 0 JIADRO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1 ZINC001164894268 721432426 /nfs/dbraw/zinc/43/24/26/721432426.db2.gz LHBKLHHQSSBNGE-PWUYWRBVSA-N 1 0 471.649 4.371 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(F)cc6)c54)C3)O2)CC1 ZINC001164890283 721432834 /nfs/dbraw/zinc/43/28/34/721432834.db2.gz CYXNHSOSTLZKHC-RLWLMLJZSA-N 1 0 481.641 4.263 20 0 JIADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164899951 721434539 /nfs/dbraw/zinc/43/45/39/721434539.db2.gz ZPHPHCVNGMDOCB-DFBJGRDBSA-N 1 0 483.707 4.494 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893798 721442932 /nfs/dbraw/zinc/44/29/32/721442932.db2.gz KMESDQMRYXDBMX-NEKDWFFYSA-N 1 0 496.099 4.441 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164786723 721450822 /nfs/dbraw/zinc/45/08/22/721450822.db2.gz NJQMNHWWVJUKNF-HXUWFJFHSA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164790030 721458406 /nfs/dbraw/zinc/45/84/06/721458406.db2.gz ZBNOTTPSMLWETR-GOSISDBHSA-N 1 0 461.956 4.153 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164784821 721462631 /nfs/dbraw/zinc/46/26/31/721462631.db2.gz KKXCEEWNJKQXCF-QFIPXVFZSA-N 1 0 453.627 4.286 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164788622 721463962 /nfs/dbraw/zinc/46/39/62/721463962.db2.gz UVBHCUGWJZTXIV-XMMPIXPASA-N 1 0 485.072 4.455 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164787776 721464486 /nfs/dbraw/zinc/46/44/86/721464486.db2.gz SFQMJQDBOZRICD-IBGZPJMESA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164788719 721466971 /nfs/dbraw/zinc/46/69/71/721466971.db2.gz JENKENJBTISGSK-HXUWFJFHSA-N 1 0 465.082 4.470 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164786746 721469116 /nfs/dbraw/zinc/46/91/16/721469116.db2.gz CBNYFXGETDMIRB-HXUWFJFHSA-N 1 0 472.580 4.156 20 0 JIADRO CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)C1=O ZINC001164897071 721474199 /nfs/dbraw/zinc/47/41/99/721474199.db2.gz ZXZATAUHVJHFIS-UHFFFAOYSA-N 1 0 486.994 4.458 20 0 JIADRO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164896650 721475015 /nfs/dbraw/zinc/47/50/15/721475015.db2.gz XEXAXTKVCIOYQT-LJAQVGFWSA-N 1 0 467.617 4.197 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793028 721495980 /nfs/dbraw/zinc/49/59/80/721495980.db2.gz ZVZQUNLSCOJPRB-UHFFFAOYSA-N 1 0 465.985 4.346 20 0 JIADRO Cc1sc2nc(-c3cccs3)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164797693 721518437 /nfs/dbraw/zinc/51/84/37/721518437.db2.gz LAJWICROLJVGJR-UHFFFAOYSA-N 1 0 479.679 4.001 20 0 JIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164900690 721521444 /nfs/dbraw/zinc/52/14/44/721521444.db2.gz TXKYCZCUTOTJNT-HIFRSBDPSA-N 1 0 454.905 4.371 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164904308 721551401 /nfs/dbraw/zinc/55/14/01/721551401.db2.gz DVLRZCQKJAGLFX-PKOBYXMFSA-N 1 0 475.902 4.218 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164805418 721576741 /nfs/dbraw/zinc/57/67/41/721576741.db2.gz NTGOIHNLBRYSSY-FPGHNAPASA-N 1 0 469.948 4.325 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164805419 721577171 /nfs/dbraw/zinc/57/71/71/721577171.db2.gz NTGOIHNLBRYSSY-MFSJNOQSSA-N 1 0 469.948 4.325 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906866 721705293 /nfs/dbraw/zinc/70/52/93/721705293.db2.gz OUEKESGPDSCMNK-QHCPKHFHSA-N 1 0 487.938 4.203 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906005 721709316 /nfs/dbraw/zinc/70/93/16/721709316.db2.gz JFOXIMDHSMUCBD-QFIPXVFZSA-N 1 0 459.928 4.425 20 0 JIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905511 721718304 /nfs/dbraw/zinc/71/83/04/721718304.db2.gz HANSSWZTPUCHHX-FQEVSTJZSA-N 1 0 480.897 4.356 20 0 JIADRO CC1CCN(C(=O)c2cccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907055 721724418 /nfs/dbraw/zinc/72/44/18/721724418.db2.gz PXZXEIVUNYGRJK-RUZDIDTESA-N 1 0 469.580 4.086 20 0 JIADRO O=C(c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1)N1CCCCC1 ZINC001164909718 721725833 /nfs/dbraw/zinc/72/58/33/721725833.db2.gz DEPSUSSKHYMDTJ-DEOSSOPVSA-N 1 0 489.998 4.494 20 0 JIADRO COc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)c(OC)c1 ZINC001164913071 721730010 /nfs/dbraw/zinc/73/00/10/721730010.db2.gz RYXMBKPMSHWPPH-VWLOTQADSA-N 1 0 481.547 4.294 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010967 721741354 /nfs/dbraw/zinc/74/13/54/721741354.db2.gz RHGNKINVKJSULB-UHFFFAOYSA-N 1 0 451.398 4.073 20 0 JIADRO O=C1N(c2cccnc2)CC[C@]12CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H]2c1ccccc1 ZINC001164913128 721742606 /nfs/dbraw/zinc/74/26/06/721742606.db2.gz UCPJORIVJXHDCM-LEAFIULHSA-N 1 0 453.590 4.100 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001165009469 721747089 /nfs/dbraw/zinc/74/70/89/721747089.db2.gz FKKVYHLGKNIEHX-UHFFFAOYSA-N 1 0 461.635 4.395 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803821 /nfs/dbraw/zinc/80/38/21/721803821.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 1 0 468.649 4.167 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165020386 721806274 /nfs/dbraw/zinc/80/62/74/721806274.db2.gz FLYAWYHCFGIKGT-SNRMKQJTSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165027208 721810700 /nfs/dbraw/zinc/81/07/00/721810700.db2.gz TVLIGVAZRVTIDP-RIFZZMRRSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]21 ZINC001165030152 721825236 /nfs/dbraw/zinc/82/52/36/721825236.db2.gz YBLZAVSDRYUXNZ-NGYIFUPDSA-N 1 0 468.045 4.493 20 0 JIADRO COc1ccc(-c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)c(OC)c1 ZINC001165023028 721844393 /nfs/dbraw/zinc/84/43/93/721844393.db2.gz WIBUXKRKFZUNTK-UHFFFAOYSA-N 1 0 478.593 4.279 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001165031088 721845247 /nfs/dbraw/zinc/84/52/47/721845247.db2.gz RAZXATHOKRWLSW-UHFFFAOYSA-N 1 0 456.637 4.049 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922819 721846478 /nfs/dbraw/zinc/84/64/78/721846478.db2.gz RJWRMJROHYJGOE-OZXSUGGESA-N 1 0 468.621 4.071 20 0 JIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c2ccccc21 ZINC001164923642 721869773 /nfs/dbraw/zinc/86/97/73/721869773.db2.gz JJEOVHCXGQIPLM-SFTDATJTSA-N 1 0 474.987 4.048 20 0 JIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164934013 721883870 /nfs/dbraw/zinc/88/38/70/721883870.db2.gz OXKMQFDIHZFXQP-RTWAWAEBSA-N 1 0 450.961 4.074 20 0 JIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164934015 721883991 /nfs/dbraw/zinc/88/39/91/721883991.db2.gz OXKMQFDIHZFXQP-SFTDATJTSA-N 1 0 450.961 4.074 20 0 JIADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1Cl ZINC001164937622 721921111 /nfs/dbraw/zinc/92/11/11/721921111.db2.gz FJRNKRCQIGJMKU-UHFFFAOYSA-N 1 0 494.970 4.031 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)CC3)C2)cc1 ZINC001164939681 721927899 /nfs/dbraw/zinc/92/78/99/721927899.db2.gz OFMSIBDOUNTAIN-UHFFFAOYSA-N 1 0 486.595 4.194 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5cc(C(=O)NCC(C)C)ccc54)CC3)C2)cc1 ZINC001164940722 721929074 /nfs/dbraw/zinc/92/90/74/721929074.db2.gz YSRUDQLCOATRBD-UHFFFAOYSA-N 1 0 487.648 4.195 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)CC3)C2)cc1 ZINC001164940739 721930501 /nfs/dbraw/zinc/93/05/01/721930501.db2.gz ZOCLAHCMHHEEIQ-UHFFFAOYSA-N 1 0 482.628 4.464 20 0 JIADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952036 722016366 /nfs/dbraw/zinc/01/63/66/722016366.db2.gz GLFKJVBVKHCVBV-UHFFFAOYSA-N 1 0 463.607 4.269 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[NH+](CCc5ccccn5)CC4)c23)C1 ZINC001165055302 722017676 /nfs/dbraw/zinc/01/76/76/722017676.db2.gz PGFSJMOLYNEZAM-HXUWFJFHSA-N 1 0 476.694 4.172 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccc(C)nn3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964595 722025427 /nfs/dbraw/zinc/02/54/27/722025427.db2.gz WYUDUTGZRQPALA-FNZWTVRRSA-N 1 0 493.681 4.052 20 0 JIADRO Clc1ccc2[nH]c3ncnc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)c3c2c1 ZINC001164963386 722058695 /nfs/dbraw/zinc/05/86/95/722058695.db2.gz YDIVDMQRPYBSKD-UHFFFAOYSA-N 1 0 462.985 4.279 20 0 JIADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962189 722059005 /nfs/dbraw/zinc/05/90/05/722059005.db2.gz PLZYCHQUZLEZMZ-UHFFFAOYSA-N 1 0 455.006 4.180 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164970091 722082413 /nfs/dbraw/zinc/08/24/13/722082413.db2.gz UPOMDAOJAVAJIZ-NXCFDTQHSA-N 1 0 480.628 4.412 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164981614 722107184 /nfs/dbraw/zinc/10/71/84/722107184.db2.gz LUAUQSKNXKRVJG-APWZRJJASA-N 1 0 477.918 4.090 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981023 722108460 /nfs/dbraw/zinc/10/84/60/722108460.db2.gz SBUHTLXPNBMKPC-NZQKXSOJSA-N 1 0 485.966 4.464 20 0 JIADRO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164975118 722111305 /nfs/dbraw/zinc/11/13/05/722111305.db2.gz JSMQHQUQMONWQW-ZEQKJWHPSA-N 1 0 451.574 4.419 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972590 722135461 /nfs/dbraw/zinc/13/54/61/722135461.db2.gz AEJGGBNAVCAPBQ-WIOPSUGQSA-N 1 0 464.997 4.436 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985100 722140244 /nfs/dbraw/zinc/14/02/44/722140244.db2.gz ZHXKVNRWANMYLH-VIICAESSSA-N 1 0 472.637 4.131 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974296 722141489 /nfs/dbraw/zinc/14/14/89/722141489.db2.gz DGJZSOHSWUAQGX-DHIUTWEWSA-N 1 0 492.693 4.026 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cs1 ZINC001164975080 722143352 /nfs/dbraw/zinc/14/33/52/722143352.db2.gz DUJKHPQLFLEAJV-HYBUGGRVSA-N 1 0 457.603 4.481 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984240 722147530 /nfs/dbraw/zinc/14/75/30/722147530.db2.gz WTJRFAISVZOHJC-JPYJTQIMSA-N 1 0 453.949 4.058 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982549 722147797 /nfs/dbraw/zinc/14/77/97/722147797.db2.gz RPJGWGJUBQLFKI-WNCULLNHSA-N 1 0 481.600 4.428 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981134 722148178 /nfs/dbraw/zinc/14/81/78/722148178.db2.gz OOUZXAFDGLAHIB-ZWSUVBHBSA-N 1 0 483.975 4.047 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974779 722154614 /nfs/dbraw/zinc/15/46/14/722154614.db2.gz QDAVLSQLHVLSSM-NZQKXSOJSA-N 1 0 465.985 4.353 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(OCC4CC4)C3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164977973 722172514 /nfs/dbraw/zinc/17/25/14/722172514.db2.gz OQIWVMSGPUJMON-NRFANRHFSA-N 1 0 484.685 4.056 20 0 JIADRO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]32)cs1 ZINC001164987594 722185449 /nfs/dbraw/zinc/18/54/49/722185449.db2.gz KJOBDQSPQSIXTJ-RPWUZVMVSA-N 1 0 463.651 4.470 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1 ZINC001164989776 722187394 /nfs/dbraw/zinc/18/73/94/722187394.db2.gz JWVWZKQJMUSCRG-RGSZASNESA-N 1 0 482.694 4.201 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164994727 722198652 /nfs/dbraw/zinc/19/86/52/722198652.db2.gz PLLBIJOGSLKGJE-MUUNZHRXSA-N 1 0 457.597 4.419 20 0 JIADRO O=C1C[C@@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000024 722219614 /nfs/dbraw/zinc/21/96/14/722219614.db2.gz VJCXIHUFQUCVRH-GDLZYMKVSA-N 1 0 482.584 4.002 20 0 JIADRO O=C(NCC1CC1)C1=CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccccc21 ZINC001164998978 722220857 /nfs/dbraw/zinc/22/08/57/722220857.db2.gz NJCBWKQANXBQPW-UHFFFAOYSA-N 1 0 472.633 4.018 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CCC2 ZINC001165002297 722254046 /nfs/dbraw/zinc/25/40/46/722254046.db2.gz NDJRRGFYVIJFRC-UHFFFAOYSA-N 1 0 485.366 4.167 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001852 722254851 /nfs/dbraw/zinc/25/48/51/722254851.db2.gz HFRPOULDRQQJMZ-UHFFFAOYSA-N 1 0 464.397 4.235 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CCC2 ZINC001165003994 722256292 /nfs/dbraw/zinc/25/62/92/722256292.db2.gz KSNGVPCKINRDTA-UHFFFAOYSA-N 1 0 478.547 4.260 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CCC2 ZINC001165003821 722257887 /nfs/dbraw/zinc/25/78/87/722257887.db2.gz INKCIHVDEJTJRP-UHFFFAOYSA-N 1 0 477.396 4.261 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300643326 1069312826 /nfs/dbraw/zinc/31/28/26/1069312826.db2.gz YLNMQXRUZJGPGV-WOJBJXKFSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@@H](C)[NH+](C)C ZINC001300643713 1069313990 /nfs/dbraw/zinc/31/39/90/1069313990.db2.gz RGDBOLKINJQLKY-GOSISDBHSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(F)(F)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300644269 1069315341 /nfs/dbraw/zinc/31/53/41/1069315341.db2.gz UGWVXKYTKCPYDO-IBGZPJMESA-N 1 0 463.573 4.222 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001492592114 1069316756 /nfs/dbraw/zinc/31/67/56/1069316756.db2.gz CGJNIIQQYYLWSS-NFBKMPQASA-N 1 0 498.672 4.014 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300646801 1069321814 /nfs/dbraw/zinc/32/18/14/1069321814.db2.gz KVGWJIOMOVSIBJ-JIPXPUAJSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCCCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300651313 1069335115 /nfs/dbraw/zinc/33/51/15/1069335115.db2.gz WMEAQZLRBJBDKC-XMMPIXPASA-N 1 0 459.660 4.074 20 0 JIADRO FC(F)(F)Oc1cc(Br)ccc1NC(=S)Nc1c[nH+]ccc1N1CCOCC1 ZINC001200708251 1069344900 /nfs/dbraw/zinc/34/49/00/1069344900.db2.gz IHGXNKWDITWVAC-UHFFFAOYSA-N 1 0 477.306 4.388 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300659894 1069366024 /nfs/dbraw/zinc/36/60/24/1069366024.db2.gz IVKBFOOKBUFCEG-VAMGGRTRSA-N 1 0 461.676 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300659831 1069366094 /nfs/dbraw/zinc/36/60/94/1069366094.db2.gz HHDATGRGCVMMGP-ROUUACIJSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300661870 1069375891 /nfs/dbraw/zinc/37/58/91/1069375891.db2.gz VWLJXCSLRKJXHD-JIPXPUAJSA-N 1 0 478.641 4.374 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2nccs2)n1CC1([NH+](C)C)CCC1 ZINC001300668327 1069393775 /nfs/dbraw/zinc/39/37/75/1069393775.db2.gz XKAVCWHTEXOZAR-UHFFFAOYSA-N 1 0 458.657 4.156 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001354614145 1069404619 /nfs/dbraw/zinc/40/46/19/1069404619.db2.gz MFWPFGUKBLSOBO-UHFFFAOYSA-N 1 0 454.571 4.276 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300672867 1069412066 /nfs/dbraw/zinc/41/20/66/1069412066.db2.gz SBQDIYMAIIGJCI-IXFSTUDKSA-N 1 0 461.701 4.251 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001359350259 1069429196 /nfs/dbraw/zinc/42/91/96/1069429196.db2.gz XQVLOUWFQZDBEJ-UHFFFAOYSA-N 1 0 470.637 4.336 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC(C)(C)OC ZINC001300677503 1069431195 /nfs/dbraw/zinc/43/11/95/1069431195.db2.gz XZMCLGWTVPWDEB-FQEVSTJZSA-N 1 0 473.687 4.316 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359350824 1069431241 /nfs/dbraw/zinc/43/12/41/1069431241.db2.gz PGVRXFBWVQAOGP-SFHVURJKSA-N 1 0 491.080 4.106 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]2C(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300678072 1069434817 /nfs/dbraw/zinc/43/48/17/1069434817.db2.gz BOQTVHQJWSNLFP-OAQYLSRUSA-N 1 0 487.714 4.439 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359360442 1069452047 /nfs/dbraw/zinc/45/20/47/1069452047.db2.gz LSVGLOGZMUYMQM-IRLDBZIGSA-N 1 0 466.674 4.370 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359357762 1069448443 /nfs/dbraw/zinc/44/84/43/1069448443.db2.gz NIVWXLYMQQMQAT-QFIPXVFZSA-N 1 0 466.674 4.033 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001359358047 1069448860 /nfs/dbraw/zinc/44/88/60/1069448860.db2.gz SLEUORUHUMZCBD-SJLPKXTDSA-N 1 0 479.456 4.041 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001359358127 1069449747 /nfs/dbraw/zinc/44/97/47/1069449747.db2.gz UHYDQOPUURAADY-AZUAARDMSA-N 1 0 479.044 4.019 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001359374072 1069478782 /nfs/dbraw/zinc/47/87/82/1069478782.db2.gz RRYSIDWLLGGONX-DEOSSOPVSA-N 1 0 496.700 4.216 20 0 JIADRO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001359377314 1069482359 /nfs/dbraw/zinc/48/23/59/1069482359.db2.gz XHVMGJBHRGTDSJ-OFNKIYASSA-N 1 0 472.703 4.070 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001359386317 1069494698 /nfs/dbraw/zinc/49/46/98/1069494698.db2.gz ZTQZKWORPMHBLS-UHFFFAOYSA-N 1 0 484.645 4.212 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001359396928 1069502572 /nfs/dbraw/zinc/50/25/72/1069502572.db2.gz PEYQZTQFYQATOI-FGZHOGPDSA-N 1 0 484.714 4.056 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001359397508 1069504054 /nfs/dbraw/zinc/50/40/54/1069504054.db2.gz DVBHWIALWOVNLF-HSZRJFAPSA-N 1 0 498.741 4.448 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001359413146 1069532836 /nfs/dbraw/zinc/53/28/36/1069532836.db2.gz QVJXWSSYBBHOCN-OVKIHRCZSA-N 1 0 482.673 4.015 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359413034 1069532875 /nfs/dbraw/zinc/53/28/75/1069532875.db2.gz NTVDTFGHZRRCKF-TUUBTQOTSA-N 1 0 458.695 4.187 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359413708 1069535511 /nfs/dbraw/zinc/53/55/11/1069535511.db2.gz JMRVYPPIYPQAGY-UHFFFAOYSA-N 1 0 484.664 4.156 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359433430 1069560434 /nfs/dbraw/zinc/56/04/34/1069560434.db2.gz ILJRNPNUUOWKLQ-NRFANRHFSA-N 1 0 475.081 4.460 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001359436206 1069564075 /nfs/dbraw/zinc/56/40/75/1069564075.db2.gz KZCDMZOTUYBYEN-FCHUYYIVSA-N 1 0 470.662 4.039 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359437956 1069567057 /nfs/dbraw/zinc/56/70/57/1069567057.db2.gz QBLQXNNWCDGVND-DEOSSOPVSA-N 1 0 480.701 4.252 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359440743 1069571959 /nfs/dbraw/zinc/57/19/59/1069571959.db2.gz KMHMJWWNKCAZOI-UHFFFAOYSA-N 1 0 479.456 4.089 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359441238 1069573389 /nfs/dbraw/zinc/57/33/89/1069573389.db2.gz CYSMVHGRUWWPQE-FGZHOGPDSA-N 1 0 466.674 4.056 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359442830 1069574665 /nfs/dbraw/zinc/57/46/65/1069574665.db2.gz GFPSHDXROCYARR-VXKWHMMOSA-N 1 0 498.691 4.119 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359464674 1069592920 /nfs/dbraw/zinc/59/29/20/1069592920.db2.gz BGCWCSXDDBGTKN-KBMIEXCESA-N 1 0 472.703 4.260 20 0 JIADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359490349 1069692589 /nfs/dbraw/zinc/69/25/89/1069692589.db2.gz SGRLTULLXMAIHW-JOCHJYFZSA-N 1 0 472.722 4.406 20 0 JIADRO CC(C)(C)c1nnc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001359501247 1069763407 /nfs/dbraw/zinc/76/34/07/1069763407.db2.gz ZUFDZUWCVZQVQK-QGZVFWFLSA-N 1 0 461.680 4.028 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359505036 1069775876 /nfs/dbraw/zinc/77/58/76/1069775876.db2.gz NKGCCLLLXDUFPA-HXUWFJFHSA-N 1 0 494.606 4.467 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359505831 1069777644 /nfs/dbraw/zinc/77/76/44/1069777644.db2.gz QPFCATJLWVURST-UHFFFAOYSA-N 1 0 478.468 4.480 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001359510487 1069789472 /nfs/dbraw/zinc/78/94/72/1069789472.db2.gz VIIFJDZCHNMIAE-DHIUTWEWSA-N 1 0 498.691 4.151 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cscc1C(F)(F)F ZINC001359512891 1069796483 /nfs/dbraw/zinc/79/64/83/1069796483.db2.gz XEFCLWCCMOWRJY-MRXNPFEDSA-N 1 0 471.593 4.253 20 0 JIADRO CC(C)(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001359515151 1069801434 /nfs/dbraw/zinc/80/14/34/1069801434.db2.gz LGBXRDKBBOGJCZ-UHFFFAOYSA-N 1 0 487.092 4.344 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001359521927 1069809392 /nfs/dbraw/zinc/80/93/92/1069809392.db2.gz INKBDXKSVXAFEU-FPOVZHCZSA-N 1 0 476.065 4.230 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359522256 1069810073 /nfs/dbraw/zinc/81/00/73/1069810073.db2.gz PJYNXNBUQVRSIX-GOSISDBHSA-N 1 0 464.079 4.432 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359528832 1069818600 /nfs/dbraw/zinc/81/86/00/1069818600.db2.gz XVKGCMDEJGIDLJ-JTHBVZDNSA-N 1 0 457.638 4.237 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359538225 1069833751 /nfs/dbraw/zinc/83/37/51/1069833751.db2.gz JPFUQSFRGLXGRU-UHFFFAOYSA-N 1 0 462.683 4.046 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359539318 1069836143 /nfs/dbraw/zinc/83/61/43/1069836143.db2.gz CKNXKMVYYNWLLX-UHFFFAOYSA-N 1 0 480.579 4.120 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCCC2)CC[C@H]1C ZINC001300794470 1069845677 /nfs/dbraw/zinc/84/56/77/1069845677.db2.gz DVGLCYRMEQZBQU-JCTONOIOSA-N 1 0 455.647 4.382 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCc2cc(F)cc(F)c2)CC1 ZINC001359547188 1069852195 /nfs/dbraw/zinc/85/21/95/1069852195.db2.gz FOTCHJXJEUDLQG-UHFFFAOYSA-N 1 0 468.596 4.343 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001359546447 1069850434 /nfs/dbraw/zinc/85/04/34/1069850434.db2.gz FQOQBTFLHXKLPC-QHCPKHFHSA-N 1 0 464.079 4.025 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001359546578 1069850726 /nfs/dbraw/zinc/85/07/26/1069850726.db2.gz KDEIGUORQFJXQY-ORFBVSJDSA-N 1 0 461.695 4.324 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCOC2CCOCC2)CC1 ZINC001359547426 1069852480 /nfs/dbraw/zinc/85/24/80/1069852480.db2.gz OLXPTRIZBSHDNA-UHFFFAOYSA-N 1 0 487.664 4.152 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2)CC1 ZINC001359547334 1069852509 /nfs/dbraw/zinc/85/25/09/1069852509.db2.gz LLUPBIIAFDUVFM-UHFFFAOYSA-N 1 0 494.709 4.461 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001359546915 1069851703 /nfs/dbraw/zinc/85/17/03/1069851703.db2.gz VBBYDPOGGWNLRW-CTWPCTMYSA-N 1 0 484.611 4.156 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCO2)CC1 ZINC001359548110 1069854275 /nfs/dbraw/zinc/85/42/75/1069854275.db2.gz OEJFZPSWCQADBC-QGZVFWFLSA-N 1 0 462.436 4.197 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001359548263 1069854681 /nfs/dbraw/zinc/85/46/81/1069854681.db2.gz UDZBXPNGMGGICK-LJQANCHMSA-N 1 0 481.563 4.082 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001359549088 1069857092 /nfs/dbraw/zinc/85/70/92/1069857092.db2.gz BWHMJCVRJRWGMO-UHFFFAOYSA-N 1 0 475.428 4.075 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001359548371 1069855308 /nfs/dbraw/zinc/85/53/08/1069855308.db2.gz XZFHYFYORSTGOE-MRXNPFEDSA-N 1 0 471.955 4.472 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2CCCNC(=O)C2CCC2)CC1 ZINC001359548554 1069855491 /nfs/dbraw/zinc/85/54/91/1069855491.db2.gz GHTRNHFWDNFVSG-UHFFFAOYSA-N 1 0 480.701 4.070 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2Cl)CC1 ZINC001359550096 1069857828 /nfs/dbraw/zinc/85/78/28/1069857828.db2.gz OVZIIUFZLBPWHH-UHFFFAOYSA-N 1 0 472.996 4.056 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001359549858 1069857932 /nfs/dbraw/zinc/85/79/32/1069857932.db2.gz DPHNYFWZKOJROF-UHFFFAOYSA-N 1 0 472.996 4.056 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001359550242 1069858401 /nfs/dbraw/zinc/85/84/01/1069858401.db2.gz VARJUWOAJOWGHI-QGZVFWFLSA-N 1 0 451.537 4.352 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001359550148 1069858454 /nfs/dbraw/zinc/85/84/54/1069858454.db2.gz QZFGCRDKBJDNFL-UHFFFAOYSA-N 1 0 484.595 4.419 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cccc(O)c2)CC1 ZINC001359555453 1069868561 /nfs/dbraw/zinc/86/85/61/1069868561.db2.gz SSIIIJGBNLHQNT-UHFFFAOYSA-N 1 0 498.672 4.067 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001359557295 1069875219 /nfs/dbraw/zinc/87/52/19/1069875219.db2.gz HEXJVDNXCQCGIO-RTWAWAEBSA-N 1 0 490.693 4.087 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3ccccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359563724 1069891438 /nfs/dbraw/zinc/89/14/38/1069891438.db2.gz XAEILVNYVPBDMG-UHFFFAOYSA-N 1 0 497.688 4.490 20 0 JIADRO CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCC2)CC1 ZINC001359566948 1069905069 /nfs/dbraw/zinc/90/50/69/1069905069.db2.gz DOGGVLUNSSJLJX-UHFFFAOYSA-N 1 0 489.064 4.435 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359572887 1069952878 /nfs/dbraw/zinc/95/28/78/1069952878.db2.gz AYLFXWKYUGBALQ-FQEVSTJZSA-N 1 0 475.037 4.188 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001359579303 1069995031 /nfs/dbraw/zinc/99/50/31/1069995031.db2.gz HPJRSCACUWWUOI-FGZHOGPDSA-N 1 0 476.065 4.229 20 0 JIADRO CC(C)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001359594202 1070040217 /nfs/dbraw/zinc/04/02/17/1070040217.db2.gz RRNWPKXWHDHFTF-UHFFFAOYSA-N 1 0 482.492 4.242 20 0 JIADRO CC(C)(Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001359597920 1070053115 /nfs/dbraw/zinc/05/31/15/1070053115.db2.gz IALLSJVSULOOLB-UHFFFAOYSA-N 1 0 450.553 4.165 20 0 JIADRO CC(C)(Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001359598121 1070054298 /nfs/dbraw/zinc/05/42/98/1070054298.db2.gz OUQXYDNDPBWDRW-OAQYLSRUSA-N 1 0 497.688 4.203 20 0 JIADRO CC(C)(F)COc1ccc2c(c1)CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO)C2 ZINC001359598496 1070055056 /nfs/dbraw/zinc/05/50/56/1070055056.db2.gz CXMDATNYCBBNPU-QFIPXVFZSA-N 1 0 487.664 4.112 20 0 JIADRO CC(C)(Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001359598806 1070056265 /nfs/dbraw/zinc/05/62/65/1070056265.db2.gz NSFUMWFKIZOQRS-UHFFFAOYSA-N 1 0 481.689 4.488 20 0 JIADRO CC(C)=CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359606235 1070066250 /nfs/dbraw/zinc/06/62/50/1070066250.db2.gz FWTNIHBIUGUQGQ-UHFFFAOYSA-N 1 0 491.478 4.473 20 0 JIADRO CC(C)=CCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001359607889 1070070479 /nfs/dbraw/zinc/07/04/79/1070070479.db2.gz GJCUHRKQTRLTJU-UHFFFAOYSA-N 1 0 464.658 4.120 20 0 JIADRO CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359609540 1070072245 /nfs/dbraw/zinc/07/22/45/1070072245.db2.gz ICDVUIBLSRCDGS-MZYLBHOOSA-N 1 0 450.631 4.075 20 0 JIADRO CC(C)=CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1scnc1C ZINC001359612033 1070074657 /nfs/dbraw/zinc/07/46/57/1070074657.db2.gz BCTZQAYLZIZYHK-UHFFFAOYSA-N 1 0 479.698 4.400 20 0 JIADRO CC(C)=CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001359612465 1070076202 /nfs/dbraw/zinc/07/62/02/1070076202.db2.gz QSBYCYDHGVRLFR-XMMPIXPASA-N 1 0 450.675 4.481 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001359623491 1070102547 /nfs/dbraw/zinc/10/25/47/1070102547.db2.gz XNZGFTFCELOIAX-LEWJYISDSA-N 1 0 470.662 4.038 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001359624097 1070107171 /nfs/dbraw/zinc/10/71/71/1070107171.db2.gz OGYPTVNJRYNTFD-UHFFFAOYSA-N 1 0 466.674 4.079 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359624224 1070108267 /nfs/dbraw/zinc/10/82/67/1070108267.db2.gz SJMJLFPOAICEJK-NRFANRHFSA-N 1 0 468.690 4.227 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001359626993 1070124760 /nfs/dbraw/zinc/12/47/60/1070124760.db2.gz AORZXRMUDCLDLR-UGKGYDQZSA-N 1 0 499.059 4.483 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359627284 1070127138 /nfs/dbraw/zinc/12/71/38/1070127138.db2.gz GMMYWHCSQDNHNU-NRFANRHFSA-N 1 0 484.664 4.337 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359628052 1070130552 /nfs/dbraw/zinc/13/05/52/1070130552.db2.gz WHHQGGVWKJGYEG-FCHUYYIVSA-N 1 0 484.664 4.337 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359628569 1070134047 /nfs/dbraw/zinc/13/40/47/1070134047.db2.gz GCIVIGCBCRNTHP-LADGPHEKSA-N 1 0 482.717 4.376 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359628568 1070134391 /nfs/dbraw/zinc/13/43/91/1070134391.db2.gz GCIVIGCBCRNTHP-ISKFKSNPSA-N 1 0 482.717 4.376 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359647476 1070200704 /nfs/dbraw/zinc/20/07/04/1070200704.db2.gz AODCXCOBISOKGT-FQEVSTJZSA-N 1 0 470.481 4.097 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359647926 1070202971 /nfs/dbraw/zinc/20/29/71/1070202971.db2.gz JPKYAUURBHZZDK-MBSDFSHPSA-N 1 0 450.002 4.209 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359655849 1070229843 /nfs/dbraw/zinc/22/98/43/1070229843.db2.gz DUXRJZGXPFDDNZ-NHCUHLMSSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359656068 1070231881 /nfs/dbraw/zinc/23/18/81/1070231881.db2.gz IYNCWLXGFINTQV-RXVVDRJESA-N 1 0 472.703 4.287 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359656979 1070239190 /nfs/dbraw/zinc/23/91/90/1070239190.db2.gz ZEVQMGARJCEMTN-HXUWFJFHSA-N 1 0 484.664 4.336 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001359657309 1070244232 /nfs/dbraw/zinc/24/42/32/1070244232.db2.gz FOQJFNCQVCKUOX-ZWOKBUDYSA-N 1 0 463.468 4.401 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCCCC1)[NH+]1CCCC1 ZINC001359658422 1070255887 /nfs/dbraw/zinc/25/58/87/1070255887.db2.gz BITXSISWFDQSJR-HSZRJFAPSA-N 1 0 473.687 4.238 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001359658475 1070256955 /nfs/dbraw/zinc/25/69/55/1070256955.db2.gz CGNVYFHCIVRYMT-FVJLSDCUSA-N 1 0 482.069 4.425 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001359659217 1070264364 /nfs/dbraw/zinc/26/43/64/1070264364.db2.gz SCSFQBUNTIMQKI-QHCPKHFHSA-N 1 0 489.730 4.234 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CCOC(C)(C)C)[NH+]1CCOCC1 ZINC001359659479 1070266020 /nfs/dbraw/zinc/26/60/20/1070266020.db2.gz XCOUMEWLTVAPJX-QHCPKHFHSA-N 1 0 480.657 4.101 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccn1)[NH+]1CCOCC1 ZINC001359659626 1070267742 /nfs/dbraw/zinc/26/77/42/1070267742.db2.gz ZZIAVSLKADYUIK-JOCHJYFZSA-N 1 0 499.457 4.096 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492596178 1070274544 /nfs/dbraw/zinc/27/45/44/1070274544.db2.gz OONRVHPMTJMROW-UHFFFAOYSA-N 1 0 464.580 4.060 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CCC(F)(F)F)[NH+]1CCOCC1 ZINC001359661089 1070275666 /nfs/dbraw/zinc/27/56/66/1070275666.db2.gz CTVKYEATSGQOGQ-HXUWFJFHSA-N 1 0 464.536 4.172 20 0 JIADRO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001359661711 1070278464 /nfs/dbraw/zinc/27/84/64/1070278464.db2.gz MWOQUNPGKSQRAH-TZIWHRDSSA-N 1 0 460.667 4.112 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCCC1 ZINC001359662674 1070284923 /nfs/dbraw/zinc/28/49/23/1070284923.db2.gz DSDFABKVQDJRST-GOSISDBHSA-N 1 0 476.607 4.010 20 0 JIADRO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359664795 1070292972 /nfs/dbraw/zinc/29/29/72/1070292972.db2.gz MGRFKNOUPOUUPL-QHCPKHFHSA-N 1 0 488.721 4.434 20 0 JIADRO CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001359665901 1070299422 /nfs/dbraw/zinc/29/94/22/1070299422.db2.gz IGRLVSXYJJFHJU-OAQYLSRUSA-N 1 0 461.651 4.448 20 0 JIADRO CC(C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)[NH+]1CCCC1 ZINC001359666232 1070301113 /nfs/dbraw/zinc/30/11/13/1070301113.db2.gz PXRZGLFENWHUSX-HBMCJLEFSA-N 1 0 460.667 4.015 20 0 JIADRO CC(C)c1csc([C@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001359669280 1070309793 /nfs/dbraw/zinc/30/97/93/1070309793.db2.gz IAZWTNBMMZOCIU-PMACEKPBSA-N 1 0 460.692 4.476 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCOC(C)(C)C)CC1 ZINC001492596369 1070308266 /nfs/dbraw/zinc/30/82/66/1070308266.db2.gz PNWAMGRMLDLXAP-UHFFFAOYSA-N 1 0 453.656 4.376 20 0 JIADRO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC001359669131 1070308767 /nfs/dbraw/zinc/30/87/67/1070308767.db2.gz BXDJTDQFGWGVLA-OAQYLSRUSA-N 1 0 496.729 4.471 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001359671299 1070315596 /nfs/dbraw/zinc/31/55/96/1070315596.db2.gz OCYRHCGSRGDFDP-SFTDATJTSA-N 1 0 473.666 4.181 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCOc1ncccc1Cl ZINC001359679186 1070334129 /nfs/dbraw/zinc/33/41/29/1070334129.db2.gz ZUPTXWXZBPUONJ-HXUWFJFHSA-N 1 0 455.006 4.240 20 0 JIADRO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359678652 1070334305 /nfs/dbraw/zinc/33/43/05/1070334305.db2.gz LVSLARWOHDWREJ-FGZHOGPDSA-N 1 0 454.663 4.322 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359683948 1070340378 /nfs/dbraw/zinc/34/03/78/1070340378.db2.gz ORLCGUGVRUCPOC-IZZNHLLZSA-N 1 0 482.717 4.279 20 0 JIADRO CC(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359687244 1070344118 /nfs/dbraw/zinc/34/41/18/1070344118.db2.gz HKFWVDJLSNGTMI-INIZCTEOSA-N 1 0 482.448 4.120 20 0 JIADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685561 1070342211 /nfs/dbraw/zinc/34/22/11/1070342211.db2.gz XAHSBEOYAGJWFV-HPUZDQILSA-N 1 0 482.717 4.248 20 0 JIADRO CC(C)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359689930 1070346662 /nfs/dbraw/zinc/34/66/62/1070346662.db2.gz VYDOURALPACZPW-WIYYLYMNSA-N 1 0 474.625 4.022 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359691963 1070350157 /nfs/dbraw/zinc/35/01/57/1070350157.db2.gz CSVPWZFTOKNPLD-UHFFFAOYSA-N 1 0 484.664 4.195 20 0 JIADRO CC(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359697190 1070357550 /nfs/dbraw/zinc/35/75/50/1070357550.db2.gz KYHDCXTVBFFBEP-FQEVSTJZSA-N 1 0 480.579 4.293 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359698608 1070359993 /nfs/dbraw/zinc/35/99/93/1070359993.db2.gz FOLXVAGFMRPHFQ-IBGZPJMESA-N 1 0 466.552 4.045 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccc(Br)cc1 ZINC001359699574 1070361516 /nfs/dbraw/zinc/36/15/16/1070361516.db2.gz KIZHHACBSLWVOZ-QFIPXVFZSA-N 1 0 489.506 4.011 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCOCC(F)(F)C(F)F ZINC001359706721 1070372652 /nfs/dbraw/zinc/37/26/52/1070372652.db2.gz FXWDLQJBADCPBC-MSOLQXFVSA-N 1 0 463.564 4.409 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359707429 1070374622 /nfs/dbraw/zinc/37/46/22/1070374622.db2.gz SRVZLPVFLOLQRT-DENIHFKCSA-N 1 0 472.653 4.222 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359707836 1070376128 /nfs/dbraw/zinc/37/61/28/1070376128.db2.gz BSNGXANJLNIULR-NHCUHLMSSA-N 1 0 474.625 4.337 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315460277 1064272790 /nfs/dbraw/zinc/27/27/90/1064272790.db2.gz UJTALHUTHQHATJ-HSZRJFAPSA-N 1 0 464.658 4.482 20 0 JIADRO COc1ccc(CCn2c(-c3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(Cl)c1OC ZINC001315462518 1064279424 /nfs/dbraw/zinc/27/94/24/1064279424.db2.gz NNEDCYZOPBPYEV-UHFFFAOYSA-N 1 0 485.032 4.174 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315470879 1064308914 /nfs/dbraw/zinc/30/89/14/1064308914.db2.gz PMUOLFPPRXBXLL-CUNXSJBXSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCCC2)cc1OC(F)F ZINC001315473132 1064314381 /nfs/dbraw/zinc/31/43/81/1064314381.db2.gz GHCONMXTICTTNJ-UHFFFAOYSA-N 1 0 486.567 4.461 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001315475721 1064324825 /nfs/dbraw/zinc/32/48/25/1064324825.db2.gz OGXOIYNDLMSGGQ-UHFFFAOYSA-N 1 0 498.672 4.133 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1O ZINC001315476044 1064325909 /nfs/dbraw/zinc/32/59/09/1064325909.db2.gz QQUDMXJFRMFUCZ-REHUZNOOSA-N 1 0 471.646 4.238 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CC=CCC2)cc1F ZINC001315477134 1064329859 /nfs/dbraw/zinc/32/98/59/1064329859.db2.gz XANYJOBOEVMGDL-UHFFFAOYSA-N 1 0 456.953 4.040 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2CCCCC2)cc1F ZINC001315477674 1064331863 /nfs/dbraw/zinc/33/18/63/1064331863.db2.gz ZWHJEXHCPRBWAJ-HXUWFJFHSA-N 1 0 459.610 4.221 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001315478914 1064334081 /nfs/dbraw/zinc/33/40/81/1064334081.db2.gz XEBDBZASQWKDOA-OALUTQOASA-N 1 0 471.646 4.087 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC001315482071 1064344341 /nfs/dbraw/zinc/34/43/41/1064344341.db2.gz XBWIATUCBQPTBU-SFYKDHMMSA-N 1 0 459.610 4.282 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001315483770 1064350483 /nfs/dbraw/zinc/35/04/83/1064350483.db2.gz VPCYLLFRZLMOFT-OAQYLSRUSA-N 1 0 457.619 4.048 20 0 JIADRO COc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)c(C(F)(F)F)c1 ZINC001315487172 1064360561 /nfs/dbraw/zinc/36/05/61/1064360561.db2.gz BGIJMMCBMIZAFG-UHFFFAOYSA-N 1 0 474.531 4.194 20 0 JIADRO COc1ccc(COCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001315509152 1064435066 /nfs/dbraw/zinc/43/50/66/1064435066.db2.gz UKEPPEQCEVPVNS-JWQCQUIFSA-N 1 0 499.700 4.343 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCCCC1 ZINC001315510568 1064442873 /nfs/dbraw/zinc/44/28/73/1064442873.db2.gz NMCQMNGWYNFQNY-UHFFFAOYSA-N 1 0 469.033 4.438 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001315512323 1064450879 /nfs/dbraw/zinc/45/08/79/1064450879.db2.gz WXILDDCDFGPPGJ-GOSISDBHSA-N 1 0 450.027 4.199 20 0 JIADRO COc1ccc(OC)c(CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CC3)CC2)c1 ZINC001315517139 1064468586 /nfs/dbraw/zinc/46/85/86/1064468586.db2.gz QKZSTKYYKAXMBG-UHFFFAOYSA-N 1 0 455.647 4.049 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315518265 1064473082 /nfs/dbraw/zinc/47/30/82/1064473082.db2.gz ARFSTTSFGBIWDP-OAQYLSRUSA-N 1 0 478.641 4.051 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001315522156 1064489936 /nfs/dbraw/zinc/48/99/36/1064489936.db2.gz GLWHEMYBDLZYOC-YADHBBJMSA-N 1 0 485.673 4.116 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315522699 1064491519 /nfs/dbraw/zinc/49/15/19/1064491519.db2.gz DMVFGZONLVSGBL-IBGZPJMESA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315528129 1064506561 /nfs/dbraw/zinc/50/65/61/1064506561.db2.gz GUORZCHAWDISPN-MZKRTTBSSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315528520 1064507943 /nfs/dbraw/zinc/50/79/43/1064507943.db2.gz KGVXIUDEZCSDIL-SZPZYZBQSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=CCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315528524 1064508026 /nfs/dbraw/zinc/50/80/26/1064508026.db2.gz KIEQHABLYKMCTE-VXKWHMMOSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001315531132 1064515691 /nfs/dbraw/zinc/51/56/91/1064515691.db2.gz SDEKSYMTJGGEMG-VXKWHMMOSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(C)CCCS2)cc1 ZINC001315531188 1064516429 /nfs/dbraw/zinc/51/64/29/1064516429.db2.gz UQXUGEJAYMTCKB-RUZDIDTESA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC001315534686 1064524185 /nfs/dbraw/zinc/52/41/85/1064524185.db2.gz SLGKIANECVEKHY-OFVILXPXSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCSC2(C)C)cc1 ZINC001315534732 1064524969 /nfs/dbraw/zinc/52/49/69/1064524969.db2.gz VOOMASQWEZYOMH-LJQANCHMSA-N 1 0 473.687 4.364 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315538547 1064533054 /nfs/dbraw/zinc/53/30/54/1064533054.db2.gz BWYHDJBNMVDZET-IFMALSPDSA-N 1 0 478.641 4.293 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(C(C)C)n2CC[N@@H+]2CCc3sccc3C2)cc1 ZINC001315540756 1064536859 /nfs/dbraw/zinc/53/68/59/1064536859.db2.gz KJODHTKQUAASIT-UHFFFAOYSA-N 1 0 455.628 4.045 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCS[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315545957 1064552516 /nfs/dbraw/zinc/55/25/16/1064552516.db2.gz FKYNKECJEASMIA-VABKMULXSA-N 1 0 473.687 4.409 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315546767 1064554667 /nfs/dbraw/zinc/55/46/67/1064554667.db2.gz JOTFLCQGROFITO-BKMJKUGQSA-N 1 0 466.630 4.226 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCCCC2)[NH+](C)C)c1 ZINC001315547786 1064558640 /nfs/dbraw/zinc/55/86/40/1064558640.db2.gz DMGLUXJOQFGJJD-JOCHJYFZSA-N 1 0 454.644 4.326 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(OC)C2)[NH+](C)C)c1 ZINC001315548051 1064559447 /nfs/dbraw/zinc/55/94/47/1064559447.db2.gz FQMVXIMQCUBWEY-ZEQKJWHPSA-N 1 0 455.647 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C)[C@H](OC)C2)[NH+](C)C)c1 ZINC001315549507 1064564667 /nfs/dbraw/zinc/56/46/67/1064564667.db2.gz RDYHTUWTBIMUFM-WJYDCKGNSA-N 1 0 499.700 4.369 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)CC(C)(C)C)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001315550565 1064567307 /nfs/dbraw/zinc/56/73/07/1064567307.db2.gz WZQYKLFNKKRFKZ-ATIYNZHBSA-N 1 0 473.662 4.113 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315552448 1064569131 /nfs/dbraw/zinc/56/91/31/1064569131.db2.gz QHUYXKYKGZJOHY-BGYRXZFFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCCN(C)CC(F)(F)F)c1 ZINC001315558688 1064582150 /nfs/dbraw/zinc/58/21/50/1064582150.db2.gz DWBZSVZURPPOAU-UHFFFAOYSA-N 1 0 494.606 4.293 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315559327 1064584079 /nfs/dbraw/zinc/58/40/79/1064584079.db2.gz BMGCCUPGZMFEHD-UZINWLIJSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001315562276 1064589188 /nfs/dbraw/zinc/58/91/88/1064589188.db2.gz FYZCYDCLVWZFIH-OFNKIYASSA-N 1 0 461.701 4.113 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315563177 1064590632 /nfs/dbraw/zinc/59/06/32/1064590632.db2.gz LVYPEPOPGCMLOG-GOTSBHOMSA-N 1 0 496.700 4.015 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315569470 1064608115 /nfs/dbraw/zinc/60/81/15/1064608115.db2.gz HPAXGUCNXLSINW-REWPJTCUSA-N 1 0 470.662 4.131 20 0 JIADRO COc1cccc(C2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC001315570533 1064612867 /nfs/dbraw/zinc/61/28/67/1064612867.db2.gz JVVVMKOXBBVSNN-UHFFFAOYSA-N 1 0 496.700 4.464 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001315573160 1064622476 /nfs/dbraw/zinc/62/24/76/1064622476.db2.gz XBSLLPUNKBNFLK-DENIHFKCSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001315588632 1064672540 /nfs/dbraw/zinc/67/25/40/1064672540.db2.gz SLRNBUGSTWACOZ-NRFANRHFSA-N 1 0 454.663 4.175 20 0 JIADRO COc1cccc2c1CCN(c1nnc(C(=O)Nc3ccccn3)n1CCC[NH+](C(C)C)C(C)C)C2 ZINC001315589149 1064673262 /nfs/dbraw/zinc/67/32/62/1064673262.db2.gz LNZGKDSWVPNESA-UHFFFAOYSA-N 1 0 491.640 4.006 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001315590418 1064677375 /nfs/dbraw/zinc/67/73/75/1064677375.db2.gz DHMLBSRJOYWRPO-OALUTQOASA-N 1 0 455.628 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H](C)c2ccco2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315591286 1064680670 /nfs/dbraw/zinc/68/06/70/1064680670.db2.gz KQZZXEKIGGCNKF-HSALFYBXSA-N 1 0 453.587 4.243 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315592218 1064684116 /nfs/dbraw/zinc/68/41/16/1064684116.db2.gz UCAJGTADWHIMPU-CTNGQTDRSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001315592444 1064684266 /nfs/dbraw/zinc/68/42/66/1064684266.db2.gz YGGCGQUKEFDMMG-NTKDMRAZSA-N 1 0 496.681 4.059 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315592737 1064685142 /nfs/dbraw/zinc/68/51/42/1064685142.db2.gz YCFBVUIZKFBGBH-IWAAJCSBSA-N 1 0 496.700 4.305 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315593169 1064686665 /nfs/dbraw/zinc/68/66/65/1064686665.db2.gz CXQXKWWIDQKBNY-NRFANRHFSA-N 1 0 485.673 4.444 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315599928 1064705261 /nfs/dbraw/zinc/70/52/61/1064705261.db2.gz UJERUXKOXRMYCS-QFIPXVFZSA-N 1 0 496.700 4.157 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC=C(Br)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315600753 1064708734 /nfs/dbraw/zinc/70/87/34/1064708734.db2.gz GJXKDQFGBKYDPF-UHFFFAOYSA-N 1 0 460.420 4.175 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC=C(Br)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315601037 1064709174 /nfs/dbraw/zinc/70/91/74/1064709174.db2.gz JDXWNPBXZQDBOT-SFHVURJKSA-N 1 0 462.436 4.419 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315606460 1064722855 /nfs/dbraw/zinc/72/28/55/1064722855.db2.gz FYJGVBHKIVDGPG-LJQANCHMSA-N 1 0 482.595 4.145 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001315606869 1064723606 /nfs/dbraw/zinc/72/36/06/1064723606.db2.gz MJXJWSKYZNRCKK-UHFFFAOYSA-N 1 0 486.661 4.131 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001315606897 1064724087 /nfs/dbraw/zinc/72/40/87/1064724087.db2.gz KWWZGGLMIQXKFW-MHZLTWQESA-N 1 0 469.674 4.453 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612895 1064735114 /nfs/dbraw/zinc/73/51/14/1064735114.db2.gz KWMJEIYJAWFKSH-PQNGQFLHSA-N 1 0 455.647 4.499 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315613016 1064735848 /nfs/dbraw/zinc/73/58/48/1064735848.db2.gz MLNLNPLHNFQDGM-ZJSXRUAMSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315614651 1064739609 /nfs/dbraw/zinc/73/96/09/1064739609.db2.gz YMFWHHUAKMXFGC-LEWJYISDSA-N 1 0 465.646 4.019 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315614570 1064739720 /nfs/dbraw/zinc/73/97/20/1064739720.db2.gz WRAZRPLQGZHXSS-PBDKAQRYSA-N 1 0 479.673 4.265 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315616383 1064743325 /nfs/dbraw/zinc/74/33/25/1064743325.db2.gz LZCGTGKNMWXBBV-NRFANRHFSA-N 1 0 496.725 4.032 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315617274 1064746288 /nfs/dbraw/zinc/74/62/88/1064746288.db2.gz DDQTYPRDHGUSFL-UXHICEINSA-N 1 0 468.671 4.133 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315617403 1064747308 /nfs/dbraw/zinc/74/73/08/1064747308.db2.gz FWZQXEVMPVLBDZ-IBGZPJMESA-N 1 0 461.601 4.479 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315621061 1064755723 /nfs/dbraw/zinc/75/57/23/1064755723.db2.gz CQYVRRTYVHOTMV-XSDIEEQYSA-N 1 0 457.688 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1CCC(OC)CC1 ZINC001315623825 1064763224 /nfs/dbraw/zinc/76/32/24/1064763224.db2.gz BQHIZNRQCHISTN-UHFFFAOYSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315631654 1064783360 /nfs/dbraw/zinc/78/33/60/1064783360.db2.gz MOONPVUPVWMWSL-ZJSXRUAMSA-N 1 0 467.614 4.025 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315633549 1064788459 /nfs/dbraw/zinc/78/84/59/1064788459.db2.gz MYYRMHSDNWWESQ-DEOSSOPVSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315635197 1064791117 /nfs/dbraw/zinc/79/11/17/1064791117.db2.gz QXGIHNLDHZVKER-IRLDBZIGSA-N 1 0 462.642 4.456 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315637971 1064796048 /nfs/dbraw/zinc/79/60/48/1064796048.db2.gz WGXAACVKDMLJAK-SFTDATJTSA-N 1 0 463.630 4.138 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H](C)[NH+](C)C ZINC001315648090 1064823074 /nfs/dbraw/zinc/82/30/74/1064823074.db2.gz RLSZMWBLDDSDCS-OAHLLOKOSA-N 1 0 494.459 4.276 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315650926 1064830676 /nfs/dbraw/zinc/83/06/76/1064830676.db2.gz ZXZZNAHJRDJOQC-FQEVSTJZSA-N 1 0 469.655 4.327 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315653678 1064839029 /nfs/dbraw/zinc/83/90/29/1064839029.db2.gz LTMQFXAMJPQRDR-IBGZPJMESA-N 1 0 455.628 4.466 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315654758 1064842855 /nfs/dbraw/zinc/84/28/55/1064842855.db2.gz JKAJHDGZDPCNKE-IBGZPJMESA-N 1 0 481.563 4.376 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315658795 1064853101 /nfs/dbraw/zinc/85/31/01/1064853101.db2.gz QLRGVEOBJNODDZ-TZIWHRDSSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315661619 1064861937 /nfs/dbraw/zinc/86/19/37/1064861937.db2.gz LPOMXBKQLRBYLX-NJYVYQBISA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315662422 1064865381 /nfs/dbraw/zinc/86/53/81/1064865381.db2.gz VTSRPZCKCMFNRS-RTWAWAEBSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001315665241 1064878389 /nfs/dbraw/zinc/87/83/89/1064878389.db2.gz YZMKPJATAIZVDB-UHFFFAOYSA-N 1 0 453.603 4.402 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315666069 1064881193 /nfs/dbraw/zinc/88/11/93/1064881193.db2.gz VLPUPXFWSDQDBG-UXHICEINSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC(C)(F)F ZINC001315666260 1064882226 /nfs/dbraw/zinc/88/22/26/1064882226.db2.gz NJGFBZJIZJNBRZ-SFHVURJKSA-N 1 0 495.640 4.314 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSCC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315667294 1064886232 /nfs/dbraw/zinc/88/62/32/1064886232.db2.gz CAKYNEJDVWSCNZ-IBGZPJMESA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSC[C@H]2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315668328 1064891488 /nfs/dbraw/zinc/89/14/88/1064891488.db2.gz MZCGCAODOVSABR-RTBURBONSA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001315669406 1064896847 /nfs/dbraw/zinc/89/68/47/1064896847.db2.gz KBGCABBFNZKFDU-KDURUIRLSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001315669682 1064897473 /nfs/dbraw/zinc/89/74/73/1064897473.db2.gz XTPMZADEONUXCM-FQEVSTJZSA-N 1 0 461.676 4.028 20 0 JIADRO COc1ccccc1SCc1nnc(Nc2cnn(C)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315670171 1064898473 /nfs/dbraw/zinc/89/84/73/1064898473.db2.gz RPBWLLACGYXJNH-GOSISDBHSA-N 1 0 455.632 4.177 20 0 JIADRO COc1ccncc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001315673197 1064904698 /nfs/dbraw/zinc/90/46/98/1064904698.db2.gz VCSPXTZIENOIRC-UHFFFAOYSA-N 1 0 473.046 4.206 20 0 JIADRO COC1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001315675948 1064911290 /nfs/dbraw/zinc/91/12/90/1064911290.db2.gz CXFKGGSRDQMSIC-NQVNOIMPSA-N 1 0 488.721 4.102 20 0 JIADRO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001315677165 1064915115 /nfs/dbraw/zinc/91/51/15/1064915115.db2.gz AOAIECNJIGWDJI-QFIPXVFZSA-N 1 0 462.642 4.277 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001315688227 1064940465 /nfs/dbraw/zinc/94/04/65/1064940465.db2.gz BKXQWYYIXNWKFO-MIZPHKNDSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315691814 1064949107 /nfs/dbraw/zinc/94/91/07/1064949107.db2.gz KYESNHWVIYBUQN-WOJBJXKFSA-N 1 0 459.610 4.294 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001315703203 1064967524 /nfs/dbraw/zinc/96/75/24/1064967524.db2.gz CWZKLPACHZECQS-UHFFFAOYSA-N 1 0 458.676 4.070 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC=C(Br)C2)CC1 ZINC001315703285 1064968185 /nfs/dbraw/zinc/96/81/85/1064968185.db2.gz IZEJRHIMODNASB-UHFFFAOYSA-N 1 0 468.484 4.245 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001315703809 1064969633 /nfs/dbraw/zinc/96/96/33/1064969633.db2.gz FXDKKEVKFSITRN-UHFFFAOYSA-N 1 0 498.697 4.456 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001315704386 1064970647 /nfs/dbraw/zinc/97/06/47/1064970647.db2.gz HRZUREPJAZVNEY-NRFANRHFSA-N 1 0 454.663 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001315704484 1064971195 /nfs/dbraw/zinc/97/11/95/1064971195.db2.gz JVHVOZVSYLRRSN-JOCHJYFZSA-N 1 0 483.701 4.347 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001315704971 1064973026 /nfs/dbraw/zinc/97/30/26/1064973026.db2.gz LVVSCXILWKXCDB-UHFFFAOYSA-N 1 0 483.701 4.347 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001315705267 1064974410 /nfs/dbraw/zinc/97/44/10/1064974410.db2.gz MWLQTRSNCVPGID-QGZVFWFLSA-N 1 0 481.563 4.292 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001315705578 1064974853 /nfs/dbraw/zinc/97/48/53/1064974853.db2.gz QGCWSSMTHAGLNL-JOCHJYFZSA-N 1 0 487.714 4.383 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001315705988 1064976033 /nfs/dbraw/zinc/97/60/33/1064976033.db2.gz PRAFOXLHTFINDD-UHFFFAOYSA-N 1 0 477.053 4.019 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001315706155 1064976725 /nfs/dbraw/zinc/97/67/25/1064976725.db2.gz UGMIOSFFUQXPNM-LVXARBLLSA-N 1 0 487.714 4.341 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315706596 1064978013 /nfs/dbraw/zinc/97/80/13/1064978013.db2.gz WDBGRFCVUHSWOM-UPVQGACJSA-N 1 0 455.647 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001315706755 1064978589 /nfs/dbraw/zinc/97/85/89/1064978589.db2.gz XHBXLYSWTHSJOF-AJTFRIOCSA-N 1 0 491.721 4.081 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(C)c3ccc(C)cc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001315706778 1064979146 /nfs/dbraw/zinc/97/91/46/1064979146.db2.gz XLNARLXZJCUEAO-HHHXNRCGSA-N 1 0 485.673 4.284 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCC[C@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001315706761 1064979161 /nfs/dbraw/zinc/97/91/61/1064979161.db2.gz XHBXLYSWTHSJOF-WXVAWEFUSA-N 1 0 491.721 4.081 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Nc3ccn(C)n3)nnc2-c2cccc(Br)c2)CC1 ZINC001315707932 1064982766 /nfs/dbraw/zinc/98/27/66/1064982766.db2.gz AEOLAHSNAAYMFX-UHFFFAOYSA-N 1 0 488.434 4.074 20 0 JIADRO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001315708653 1064983934 /nfs/dbraw/zinc/98/39/34/1064983934.db2.gz DEIOHBBDCFUNPR-PKTZIBPZSA-N 1 0 482.673 4.129 20 0 JIADRO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001315708652 1064984033 /nfs/dbraw/zinc/98/40/33/1064984033.db2.gz DEIOHBBDCFUNPR-GOTSBHOMSA-N 1 0 482.673 4.129 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3CCC[C@@](C)(OC)CC3)CCCC2)CC1 ZINC001315709420 1064985149 /nfs/dbraw/zinc/98/51/49/1064985149.db2.gz LSIOEJLIOJVWGZ-RUZDIDTESA-N 1 0 461.695 4.296 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001315710364 1064986864 /nfs/dbraw/zinc/98/68/64/1064986864.db2.gz VBIOYKVKOYCVHZ-KSEOMHKRSA-N 1 0 491.721 4.090 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCCC2)CC[C@H]1C ZINC001315712762 1064995484 /nfs/dbraw/zinc/99/54/84/1064995484.db2.gz CFPWBJWROAAESE-QPPBQGQZSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001315714675 1065003175 /nfs/dbraw/zinc/00/31/75/1065003175.db2.gz QSHCIPNPNKHDAX-IQOKHDRSSA-N 1 0 494.105 4.370 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2([NH+](C)C)CCSC2)CC[C@H]1C ZINC001315715010 1065003699 /nfs/dbraw/zinc/00/36/99/1065003699.db2.gz QZDPIAPELSWLTM-FECNHWASSA-N 1 0 487.714 4.333 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001315715940 1065005137 /nfs/dbraw/zinc/00/51/37/1065005137.db2.gz MIGJABDJPWLYSL-MTNREXPMSA-N 1 0 496.483 4.470 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1C ZINC001315715946 1065005296 /nfs/dbraw/zinc/00/52/96/1065005296.db2.gz MIGJABDJPWLYSL-ZPMCFJSWSA-N 1 0 496.483 4.470 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC[C@H]1C ZINC001315717530 1065009808 /nfs/dbraw/zinc/00/98/08/1065009808.db2.gz JHVXBJJVEUSDOW-HYBUGGRVSA-N 1 0 452.647 4.417 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCC2)CC[C@H]1C ZINC001315739090 1065045241 /nfs/dbraw/zinc/04/52/41/1065045241.db2.gz AUDBFDBCGRYESJ-BXXSPATCSA-N 1 0 461.695 4.324 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CC1(C)C ZINC001315739097 1065045278 /nfs/dbraw/zinc/04/52/78/1065045278.db2.gz AVJPTPAPGJZIBA-OAQYLSRUSA-N 1 0 459.610 4.122 20 0 JIADRO COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001315757403 1065061288 /nfs/dbraw/zinc/06/12/88/1065061288.db2.gz CYDHTNOYNPQFNY-HXUWFJFHSA-N 1 0 476.065 4.210 20 0 JIADRO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001315762606 1065076407 /nfs/dbraw/zinc/07/64/07/1065076407.db2.gz JJGZOSXRPHOHOW-UHFFFAOYSA-N 1 0 486.064 4.068 20 0 JIADRO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315767074 1065085919 /nfs/dbraw/zinc/08/59/19/1065085919.db2.gz MDVZEXHUBNQZNJ-DEOSSOPVSA-N 1 0 462.642 4.037 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001315770782 1065090669 /nfs/dbraw/zinc/09/06/69/1065090669.db2.gz HKOVFIGPRUIIOI-HXUWFJFHSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@@H](C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315774884 1065099465 /nfs/dbraw/zinc/09/94/65/1065099465.db2.gz KRRDWYGDRPRJNW-KRWDZBQOSA-N 1 0 494.478 4.309 20 0 JIADRO COC[C@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315811050 1065157450 /nfs/dbraw/zinc/15/74/50/1065157450.db2.gz DBEGUYMYOMMIKP-TZIWHRDSSA-N 1 0 489.636 4.036 20 0 JIADRO COC[C@@H](F)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315811674 1065158984 /nfs/dbraw/zinc/15/89/84/1065158984.db2.gz DJGCMSLPYKFJOK-MJGOQNOKSA-N 1 0 463.667 4.427 20 0 JIADRO COC[C@@H](F)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315826993 1065183534 /nfs/dbraw/zinc/18/35/34/1065183534.db2.gz VTUWSQUIPSJYCA-IRLDBZIGSA-N 1 0 494.055 4.443 20 0 JIADRO COCC1(C)CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001315831418 1065195869 /nfs/dbraw/zinc/19/58/69/1065195869.db2.gz MSJKYVDLVRKUGH-QHCPKHFHSA-N 1 0 455.647 4.295 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001315832396 1065197947 /nfs/dbraw/zinc/19/79/47/1065197947.db2.gz IDPZMWPKZATWOT-SFTDATJTSA-N 1 0 485.673 4.094 20 0 JIADRO COCC1(Cn2c(C(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CCCCC1 ZINC001315842848 1065227556 /nfs/dbraw/zinc/22/75/56/1065227556.db2.gz NHPVNEJYFWXZNV-JTHBVZDNSA-N 1 0 471.694 4.251 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315860742 1065270277 /nfs/dbraw/zinc/27/02/77/1065270277.db2.gz DSUHGVAVWIIMKF-UHFFFAOYSA-N 1 0 476.463 4.387 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315877532 1065309646 /nfs/dbraw/zinc/30/96/46/1065309646.db2.gz CYFVPQXPXRXVJJ-CTNGQTDRSA-N 1 0 460.692 4.151 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315878151 1065310878 /nfs/dbraw/zinc/31/08/78/1065310878.db2.gz CPURMEBSYWIONE-YPAWHYETSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315878900 1065313534 /nfs/dbraw/zinc/31/35/34/1065313534.db2.gz ASRQBMIRLQLXIL-ISKFKSNPSA-N 1 0 490.092 4.132 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001315880413 1065316628 /nfs/dbraw/zinc/31/66/28/1065316628.db2.gz AXSVFVYURZMSJB-SFHVURJKSA-N 1 0 481.483 4.407 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315884903 1065330563 /nfs/dbraw/zinc/33/05/63/1065330563.db2.gz YVKPVTWFAPCAQN-YADHBBJMSA-N 1 0 455.647 4.471 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315888462 1065342469 /nfs/dbraw/zinc/34/24/69/1065342469.db2.gz YXFHOECUUOFNCP-NRFANRHFSA-N 1 0 473.637 4.371 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001315892216 1065352623 /nfs/dbraw/zinc/35/26/23/1065352623.db2.gz VZWWZAOUCSRHSF-ZKMPZPQNSA-N 1 0 499.700 4.399 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001315892211 1065352686 /nfs/dbraw/zinc/35/26/86/1065352686.db2.gz VZWWZAOUCSRHSF-QLBJFCOMSA-N 1 0 499.700 4.399 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001315894655 1065359165 /nfs/dbraw/zinc/35/91/65/1065359165.db2.gz LOXXKXRWVBEFBS-FQEVSTJZSA-N 1 0 471.646 4.090 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315895258 1065360769 /nfs/dbraw/zinc/36/07/69/1065360769.db2.gz OKFMWDGJBVQARQ-IRFCIJBXSA-N 1 0 474.719 4.253 20 0 JIADRO 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COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001316133153 1065802319 /nfs/dbraw/zinc/80/23/19/1065802319.db2.gz KJZVGYYKYJPHTH-HXUWFJFHSA-N 1 0 457.663 4.010 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1C ZINC001316135753 1065803616 /nfs/dbraw/zinc/80/36/16/1065803616.db2.gz BYEHTXUQFVECNR-FBBABVLZSA-N 1 0 483.554 4.459 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1C ZINC001316138748 1065804853 /nfs/dbraw/zinc/80/48/53/1065804853.db2.gz UPGXIGFWKYBMSD-YSIASYRMSA-N 1 0 457.585 4.461 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cscc2C)C[C@@H]1C ZINC001316139477 1065805586 /nfs/dbraw/zinc/80/55/86/1065805586.db2.gz XBFSGCBGKVETQS-NRFANRHFSA-N 1 0 469.655 4.049 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001316140401 1065807175 /nfs/dbraw/zinc/80/71/75/1065807175.db2.gz MGYACYHHDLUQMZ-KRWDZBQOSA-N 1 0 494.036 4.111 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](SC)C(C)(C)C)C[C@@H]1C ZINC001316141107 1065808367 /nfs/dbraw/zinc/80/83/67/1065808367.db2.gz RRBCBRKWYRAYTB-JTHBVZDNSA-N 1 0 489.730 4.409 20 0 JIADRO COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316157039 1065821103 /nfs/dbraw/zinc/82/11/03/1065821103.db2.gz PUFMAPTYUNOJJO-FUHWJXTLSA-N 1 0 498.466 4.114 20 0 JIADRO COCCO[C@H](C)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001316163408 1065830904 /nfs/dbraw/zinc/83/09/04/1065830904.db2.gz DSNSWXSCGLYISG-GBEXAXCTSA-N 1 0 455.647 4.116 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316163533 1065831330 /nfs/dbraw/zinc/83/13/30/1065831330.db2.gz DBGDEONMYARRPT-UKILVPOCSA-N 1 0 467.658 4.461 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001316171947 1065844888 /nfs/dbraw/zinc/84/48/88/1065844888.db2.gz QUEYPUFBIKVGPV-OXQOHEQNSA-N 1 0 487.542 4.223 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1ccc(F)cc1 ZINC001316175176 1065850794 /nfs/dbraw/zinc/85/07/94/1065850794.db2.gz AHPQXHLKNBICBV-NRFANRHFSA-N 1 0 473.637 4.282 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001316181923 1065863909 /nfs/dbraw/zinc/86/39/09/1065863909.db2.gz BWQXRTMYSYXZNW-OALUTQOASA-N 1 0 459.610 4.139 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316183637 1065867379 /nfs/dbraw/zinc/86/73/79/1065867379.db2.gz AKOTXIIQQRCTNT-IVAOSVALSA-N 1 0 461.676 4.383 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316183646 1065867505 /nfs/dbraw/zinc/86/75/05/1065867505.db2.gz XFXSWRYZFHUIOK-SFTDATJTSA-N 1 0 479.710 4.297 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316183790 1065867910 /nfs/dbraw/zinc/86/79/10/1065867910.db2.gz LIFDCPAQSFTHJU-VQTJNVASSA-N 1 0 473.637 4.387 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316185145 1065870817 /nfs/dbraw/zinc/87/08/17/1065870817.db2.gz SUUXRTDUPCRSQB-UXHICEINSA-N 1 0 476.065 4.339 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316188151 1065876231 /nfs/dbraw/zinc/87/62/31/1065876231.db2.gz ZQBUJVKASFGBPZ-WOJBJXKFSA-N 1 0 476.065 4.339 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001316189536 1065878629 /nfs/dbraw/zinc/87/86/29/1065878629.db2.gz NOUPHTFLYWNVCF-SIKLNZKXSA-N 1 0 491.627 4.321 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCc2cc(OC)ccc21 ZINC001316197481 1065893430 /nfs/dbraw/zinc/89/34/30/1065893430.db2.gz ITTFQFWSMRPVJW-FYYLOGMGSA-N 1 0 499.700 4.441 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CC(c2ccccc2)C1 ZINC001316200175 1065897683 /nfs/dbraw/zinc/89/76/83/1065897683.db2.gz PUWPNEJKMLIBHX-YNEXMFEJSA-N 1 0 455.647 4.116 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001316201236 1065898738 /nfs/dbraw/zinc/89/87/38/1065898738.db2.gz PNXLOKFUHFXBPN-FGZHOGPDSA-N 1 0 455.647 4.077 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001316201237 1065899191 /nfs/dbraw/zinc/89/91/91/1065899191.db2.gz PNXLOKFUHFXBPN-VXKWHMMOSA-N 1 0 455.647 4.077 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001316211763 1065917216 /nfs/dbraw/zinc/91/72/16/1065917216.db2.gz UMOIAPRRZUJYAI-PUHATCMVSA-N 1 0 477.694 4.051 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001316214277 1065922972 /nfs/dbraw/zinc/92/29/72/1065922972.db2.gz MRTJRVVSBIIVDY-GGAORHGYSA-N 1 0 491.627 4.458 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316220763 1065935676 /nfs/dbraw/zinc/93/56/76/1065935676.db2.gz KWJKTQUMBOJPJU-UPVQGACJSA-N 1 0 485.673 4.235 20 0 JIADRO COCCOc1ccccc1Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001316227660 1065947253 /nfs/dbraw/zinc/94/72/53/1065947253.db2.gz PXEPTUNRYABHBC-NRFANRHFSA-N 1 0 455.647 4.141 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001316232832 1065960782 /nfs/dbraw/zinc/96/07/82/1065960782.db2.gz MGDVKWIVTAJKKG-NRFANRHFSA-N 1 0 475.703 4.181 20 0 JIADRO COCCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001316235534 1065967160 /nfs/dbraw/zinc/96/71/60/1065967160.db2.gz BMYVWCHXZOBLAX-HXUWFJFHSA-N 1 0 476.065 4.351 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001316237585 1065972913 /nfs/dbraw/zinc/97/29/13/1065972913.db2.gz UIZGVQRRXCGWDT-TZIWHRDSSA-N 1 0 475.703 4.103 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001316246270 1065988147 /nfs/dbraw/zinc/98/81/47/1065988147.db2.gz BVZPAXULGOWJGA-DEOSSOPVSA-N 1 0 469.674 4.021 20 0 JIADRO COCCOC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001316249225 1065990761 /nfs/dbraw/zinc/99/07/61/1065990761.db2.gz JPJMOHYKHAAQJP-RUZDIDTESA-N 1 0 499.700 4.226 20 0 JIADRO COCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316262999 1066008783 /nfs/dbraw/zinc/00/87/83/1066008783.db2.gz FSPNSXNJNZNAJA-UHFFFAOYSA-N 1 0 476.065 4.354 20 0 JIADRO COCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316265078 1066010359 /nfs/dbraw/zinc/01/03/59/1066010359.db2.gz SHYRGIIZQYICJW-UHFFFAOYSA-N 1 0 470.445 4.226 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001316269407 1066012884 /nfs/dbraw/zinc/01/28/84/1066012884.db2.gz GPBZLYIFNMLURH-UNMCSNQZSA-N 1 0 475.703 4.458 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001316271263 1066016667 /nfs/dbraw/zinc/01/66/67/1066016667.db2.gz FPZLYLDQIYZURV-IZIIKQMZSA-N 1 0 491.627 4.285 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCCCC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316272013 1066018052 /nfs/dbraw/zinc/01/80/52/1066018052.db2.gz WWRWWFJWFXPHNW-QTJGBDASSA-N 1 0 455.647 4.382 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316273809 1066022171 /nfs/dbraw/zinc/02/21/71/1066022171.db2.gz RFOLKDUZGCPHJT-JVODISISSA-N 1 0 473.637 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC1([NH+](C)C)CCCC1 ZINC001316274128 1066022916 /nfs/dbraw/zinc/02/29/16/1066022916.db2.gz MURQPRIYEQVCNW-RXVVDRJESA-N 1 0 480.028 4.305 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316274759 1066025317 /nfs/dbraw/zinc/02/53/17/1066025317.db2.gz URVCTCVXTVEAKS-RRPUWOKSSA-N 1 0 473.637 4.461 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(C)C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001316280377 1066034448 /nfs/dbraw/zinc/03/44/48/1066034448.db2.gz FUUYRGAYKQFWLP-QTJGBDASSA-N 1 0 473.637 4.317 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001316283662 1066039196 /nfs/dbraw/zinc/03/91/96/1066039196.db2.gz WQVBJFIVBPVENU-WMIMKTLMSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCCCCC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001316289262 1066048000 /nfs/dbraw/zinc/04/80/00/1066048000.db2.gz MYVMCGXCRHJXMM-XWGVYQGASA-N 1 0 455.647 4.293 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001316296568 1066057565 /nfs/dbraw/zinc/05/75/65/1066057565.db2.gz IAXQOVZLDHYTHM-ZRBLBEILSA-N 1 0 493.762 4.482 20 0 JIADRO CON(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316304917 1066065597 /nfs/dbraw/zinc/06/55/97/1066065597.db2.gz QUOOGHKXGQASNF-SFHVURJKSA-N 1 0 463.623 4.307 20 0 JIADRO CON(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316310458 1066066992 /nfs/dbraw/zinc/06/69/92/1066066992.db2.gz UBUIHWOMTPGURP-IBGZPJMESA-N 1 0 466.424 4.128 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC[NH+]2CCCCC2)C1 ZINC001316311725 1066067674 /nfs/dbraw/zinc/06/76/74/1066067674.db2.gz BIDNQJMRRAIIDC-QGZVFWFLSA-N 1 0 482.854 4.462 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316313312 1066069269 /nfs/dbraw/zinc/06/92/69/1066069269.db2.gz BFMSVXVCYKWDAH-CDNPAEQRSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316313814 1066069957 /nfs/dbraw/zinc/06/99/57/1066069957.db2.gz IFPCLQVHDBQRCQ-DRMXPCRNSA-N 1 0 494.105 4.351 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316315154 1066071838 /nfs/dbraw/zinc/07/18/38/1066071838.db2.gz ZLUWJWFXZLYROH-VLCRHTCISA-N 1 0 462.038 4.417 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(CCCOc4ccc(Cl)cc4C)n3C[C@@H](C)[NH+](C)C)C[C@H]12 ZINC001316322742 1066078214 /nfs/dbraw/zinc/07/82/14/1066078214.db2.gz VARIHGDZZDRWTG-AMEVOLBXSA-N 1 0 476.065 4.063 20 0 JIADRO CO[C@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001316327121 1066083252 /nfs/dbraw/zinc/08/32/52/1066083252.db2.gz XLASTFKQHYSOMR-QFIPXVFZSA-N 1 0 476.065 4.209 20 0 JIADRO CO[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1OC ZINC001316333732 1066088739 /nfs/dbraw/zinc/08/87/39/1066088739.db2.gz GKLKIQVNYRZLAY-OYRHEFFESA-N 1 0 494.105 4.338 20 0 JIADRO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001316363923 1066100857 /nfs/dbraw/zinc/10/08/57/1066100857.db2.gz CBUBLGLATJLSLT-IBGZPJMESA-N 1 0 494.503 4.150 20 0 JIADRO C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001316367859 1066111649 /nfs/dbraw/zinc/11/16/49/1066111649.db2.gz YPPLKLKNQAHQJM-FLASPHMUSA-N 1 0 471.715 4.106 20 0 JIADRO C[S@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001316367860 1066111738 /nfs/dbraw/zinc/11/17/38/1066111738.db2.gz YPPLKLKNQAHQJM-NHRFMIRVSA-N 1 0 471.715 4.106 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001316368364 1066113812 /nfs/dbraw/zinc/11/38/12/1066113812.db2.gz TVPGISORUUAUKO-UHFFFAOYSA-N 1 0 470.731 4.390 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316377532 1066142524 /nfs/dbraw/zinc/14/25/24/1066142524.db2.gz YYYNSYSYLGPRLF-CEXWTWQISA-N 1 0 495.112 4.484 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316384135 1066153393 /nfs/dbraw/zinc/15/33/93/1066153393.db2.gz VUGWWGYNHUOWPJ-OTWHNJEPSA-N 1 0 493.668 4.224 20 0 JIADRO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001316393337 1066168752 /nfs/dbraw/zinc/16/87/52/1066168752.db2.gz IESMDKJKFGPHPJ-FDFHNCONSA-N 1 0 457.688 4.270 20 0 JIADRO CS[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316399712 1066177403 /nfs/dbraw/zinc/17/74/03/1066177403.db2.gz SHJHMSWMJIVMBU-MZKRTTBSSA-N 1 0 488.746 4.387 20 0 JIADRO CS[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC001316399954 1066177416 /nfs/dbraw/zinc/17/74/16/1066177416.db2.gz MFXXEAOJQNSZCE-AZUAARDMSA-N 1 0 490.743 4.112 20 0 JIADRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)CCN(C)c2ccccc2)CC[NH+](C)CC1 ZINC001316403150 1066183422 /nfs/dbraw/zinc/18/34/22/1066183422.db2.gz LDJTWNUTUBKIBZ-UHFFFAOYSA-N 1 0 468.671 4.247 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)CC[NH+](C)CC1 ZINC001316403925 1066185536 /nfs/dbraw/zinc/18/55/36/1066185536.db2.gz CWFFHAUJRKACKR-QGZVFWFLSA-N 1 0 494.503 4.150 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCN([C@@H](C)c3ccsc3)CC2)CC[NH+](C)CC1 ZINC001316407244 1066190602 /nfs/dbraw/zinc/19/06/02/1066190602.db2.gz LMVHQGRTNOZQTF-FQEVSTJZSA-N 1 0 476.760 4.249 20 0 JIADRO CSC1(Cn2c(C3CC3)nnc2N(C)Cc2cccc(Br)c2)CC[NH+](C)CC1 ZINC001316407512 1066190792 /nfs/dbraw/zinc/19/07/92/1066190792.db2.gz VNMHYOUCZBUOEP-UHFFFAOYSA-N 1 0 464.477 4.382 20 0 JIADRO CSC1(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316409826 1066195991 /nfs/dbraw/zinc/19/59/91/1066195991.db2.gz IPBXPYRBYBJDRM-QHCPKHFHSA-N 1 0 487.714 4.244 20 0 JIADRO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCCO2)CC[NH+](C)CC1 ZINC001316410058 1066197261 /nfs/dbraw/zinc/19/72/61/1066197261.db2.gz NIFZAOWYECPWHB-NRFANRHFSA-N 1 0 494.105 4.343 20 0 JIADRO CSc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC001316416666 1066215573 /nfs/dbraw/zinc/21/55/73/1066215573.db2.gz MQFCUNLVJBNSMT-UHFFFAOYSA-N 1 0 466.655 4.251 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(C(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001316422346 1066230913 /nfs/dbraw/zinc/23/09/13/1066230913.db2.gz LZVHBQVXBWENTB-HSZRJFAPSA-N 1 0 457.688 4.128 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)CC1 ZINC001325214936 1066239565 /nfs/dbraw/zinc/23/95/65/1066239565.db2.gz LOLLZMGMPGPACS-UHFFFAOYSA-N 1 0 489.494 4.313 20 0 JIADRO O=C(CC[NH+]1CCC(Nc2ccccc2Cl)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001325211609 1066239871 /nfs/dbraw/zinc/23/98/71/1066239871.db2.gz WIVYMZNPRABJRV-UHFFFAOYSA-N 1 0 491.057 4.030 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001316425280 1066242478 /nfs/dbraw/zinc/24/24/78/1066242478.db2.gz PMORRSNAANQIFV-IBGZPJMESA-N 1 0 467.687 4.230 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)C1 ZINC001316425354 1066242575 /nfs/dbraw/zinc/24/25/75/1066242575.db2.gz GLWVZALAZXHHLB-LEWJYISDSA-N 1 0 492.734 4.210 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426408 1066245771 /nfs/dbraw/zinc/24/57/71/1066245771.db2.gz BMPMKIKWYVPFGN-HSZRJFAPSA-N 1 0 468.646 4.257 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492499541 1066250022 /nfs/dbraw/zinc/25/00/22/1066250022.db2.gz QVHFJSNPXJZWEH-XQANAMFCSA-N 1 0 494.709 4.390 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 ZINC001325466893 1066251445 /nfs/dbraw/zinc/25/14/45/1066251445.db2.gz AYUACPWQFJKXCV-NRFANRHFSA-N 1 0 479.650 4.095 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316428139 1066254403 /nfs/dbraw/zinc/25/44/03/1066254403.db2.gz NGNKLKBRVYNISJ-HOKHCIIBSA-N 1 0 456.704 4.496 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCC[NH+]2CCC(C)CC2)n1 ZINC001492499693 1066259682 /nfs/dbraw/zinc/25/96/82/1066259682.db2.gz FXSSAMMZRTXPST-UHFFFAOYSA-N 1 0 490.578 4.159 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001492500168 1066277757 /nfs/dbraw/zinc/27/77/57/1066277757.db2.gz SIQZLLVYMZHUJE-SFHVURJKSA-N 1 0 488.558 4.272 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3Cl)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001492500027 1066278438 /nfs/dbraw/zinc/27/84/38/1066278438.db2.gz MSSBQHGVCRGOID-QHCPKHFHSA-N 1 0 457.047 4.376 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001316433806 1066279332 /nfs/dbraw/zinc/27/93/32/1066279332.db2.gz SDFHTNUQVOMFQJ-OAQYLSRUSA-N 1 0 491.105 4.069 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001316436580 1066289077 /nfs/dbraw/zinc/28/90/77/1066289077.db2.gz MLTGMHBZYKDQCB-HXUWFJFHSA-N 1 0 457.047 4.457 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316441424 1066301856 /nfs/dbraw/zinc/30/18/56/1066301856.db2.gz CZLMANHWAUKABA-PMACEKPBSA-N 1 0 461.651 4.450 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001316441426 1066301903 /nfs/dbraw/zinc/30/19/03/1066301903.db2.gz CZLMANHWAUKABA-UXHICEINSA-N 1 0 461.651 4.450 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316442672 1066305468 /nfs/dbraw/zinc/30/54/68/1066305468.db2.gz SZGMZWYALOBVAR-QFIPXVFZSA-N 1 0 487.714 4.041 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316443857 1066309257 /nfs/dbraw/zinc/30/92/57/1066309257.db2.gz IHSSISLSZDWEJT-MSOLQXFVSA-N 1 0 452.068 4.145 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001316444058 1066310966 /nfs/dbraw/zinc/31/09/66/1066310966.db2.gz VWVBAMQVCXZVKA-UGKGYDQZSA-N 1 0 459.704 4.158 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316445433 1066315229 /nfs/dbraw/zinc/31/52/29/1066315229.db2.gz PZARGPSPKAWIBJ-FQEVSTJZSA-N 1 0 497.713 4.148 20 0 JIADRO Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492505073 1066322858 /nfs/dbraw/zinc/32/28/58/1066322858.db2.gz RGKALXFRGCENRJ-ZRZAMGCNSA-N 1 0 490.696 4.446 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492505590 1066323974 /nfs/dbraw/zinc/32/39/74/1066323974.db2.gz CWEAUQZJAORIBD-NPPFBWRTSA-N 1 0 454.619 4.421 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492505734 1066324131 /nfs/dbraw/zinc/32/41/31/1066324131.db2.gz DZKNHEZZKDXVOD-IOMROCGXSA-N 1 0 480.579 4.315 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001316449064 1066325550 /nfs/dbraw/zinc/32/55/50/1066325550.db2.gz XTNPTMKRYRXIQS-RTBURBONSA-N 1 0 459.660 4.374 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316449203 1066325797 /nfs/dbraw/zinc/32/57/97/1066325797.db2.gz HLSWQVVEBIXHPY-WOJBJXKFSA-N 1 0 467.749 4.459 20 0 JIADRO CSCCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316452627 1066336244 /nfs/dbraw/zinc/33/62/44/1066336244.db2.gz WIFFRLWCKFDTPV-UHFFFAOYSA-N 1 0 459.660 4.216 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)C2)ccn1 ZINC001329441328 1066339245 /nfs/dbraw/zinc/33/92/45/1066339245.db2.gz HSADBVDRUFVMET-VWLOTQADSA-N 1 0 496.615 4.438 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCCCNC(=O)OC(C)(C)C)n1 ZINC001492511548 1066345809 /nfs/dbraw/zinc/34/58/09/1066345809.db2.gz BOYCHBMUWUKHCS-QFIPXVFZSA-N 1 0 497.688 4.266 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(C[S@](C)=O)cc2)n1 ZINC001492512028 1066349453 /nfs/dbraw/zinc/34/94/53/1066349453.db2.gz SZALYDVXKSXUKH-DHUJRADRSA-N 1 0 494.709 4.132 20 0 JIADRO Cc1cc(NCc2cc(Br)cc(Br)c2N)ccc1N1CC[NH+](C)CC1 ZINC001330802243 1066353584 /nfs/dbraw/zinc/35/35/84/1066353584.db2.gz IYSIRYADUGCRHP-UHFFFAOYSA-N 1 0 468.237 4.466 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(F)c3Br)C2)ccn1 ZINC001331003125 1066354338 /nfs/dbraw/zinc/35/43/38/1066354338.db2.gz PFSKFJZSAYFWJV-KRWDZBQOSA-N 1 0 450.352 4.117 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3sc4cccc(F)c4c3C)C2)ccn1 ZINC001331003773 1066355640 /nfs/dbraw/zinc/35/56/40/1066355640.db2.gz UHKWZNCRGJHHRK-SFHVURJKSA-N 1 0 463.600 4.038 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492514858 1066357011 /nfs/dbraw/zinc/35/70/11/1066357011.db2.gz VWWGNZBLTSPGFL-UNMCSNQZSA-N 1 0 497.688 4.122 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316465877 1066367539 /nfs/dbraw/zinc/36/75/39/1066367539.db2.gz QMVVNUZIIXSWSS-LJQANCHMSA-N 1 0 483.524 4.356 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001316466514 1066369159 /nfs/dbraw/zinc/36/91/59/1066369159.db2.gz WDXSDAGASUBGGM-UHFFFAOYSA-N 1 0 468.671 4.102 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001316467493 1066372108 /nfs/dbraw/zinc/37/21/08/1066372108.db2.gz ATPLQLHLNRCUSW-OAHLLOKOSA-N 1 0 452.466 4.380 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4ccccc4F)C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492518041 1066374851 /nfs/dbraw/zinc/37/48/51/1066374851.db2.gz PJQXVXYEVMMECW-FGZHOGPDSA-N 1 0 479.648 4.479 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCCSCC(C)C)n1 ZINC001492518189 1066375417 /nfs/dbraw/zinc/37/54/17/1066375417.db2.gz WHQBFHHICIOMAC-NRFANRHFSA-N 1 0 472.703 4.117 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC001492523092 1066391427 /nfs/dbraw/zinc/39/14/27/1066391427.db2.gz JWKYTRIMRHGYCP-IFMALSPDSA-N 1 0 466.655 4.083 20 0 JIADRO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC001492523094 1066391581 /nfs/dbraw/zinc/39/15/81/1066391581.db2.gz JWKYTRIMRHGYCP-RBBKRZOGSA-N 1 0 466.655 4.083 20 0 JIADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492523194 1066394307 /nfs/dbraw/zinc/39/43/07/1066394307.db2.gz LSFHHIIQRNXQSX-RPWUZVMVSA-N 1 0 487.714 4.339 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c1 ZINC001492524367 1066397742 /nfs/dbraw/zinc/39/77/42/1066397742.db2.gz MGSSFUJDFHYDOK-DEOSSOPVSA-N 1 0 467.702 4.479 20 0 JIADRO Cc1cccc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001492525184 1066403691 /nfs/dbraw/zinc/40/36/91/1066403691.db2.gz LLWYBSNPIAXEKX-UHFFFAOYSA-N 1 0 486.462 4.150 20 0 JIADRO Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492526504 1066414994 /nfs/dbraw/zinc/41/49/94/1066414994.db2.gz BEYGBDCIULBDID-UHFFFAOYSA-N 1 0 450.606 4.311 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489065 1066419195 /nfs/dbraw/zinc/41/91/95/1066419195.db2.gz GFJVPQBIPLBSOT-AHCXZYCDSA-N 1 0 457.566 4.171 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489067 1066419259 /nfs/dbraw/zinc/41/92/59/1066419259.db2.gz GFJVPQBIPLBSOT-CYGHRXIMSA-N 1 0 457.566 4.171 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489363 1066420414 /nfs/dbraw/zinc/42/04/14/1066420414.db2.gz MWHBWPXWLOOZDO-VUBSUSDNSA-N 1 0 469.527 4.249 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490669 1066424823 /nfs/dbraw/zinc/42/48/23/1066424823.db2.gz DKQNZXRDTFZICL-MAODMQOUSA-N 1 0 476.522 4.341 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001316490524 1066424993 /nfs/dbraw/zinc/42/49/93/1066424993.db2.gz YNJAPHGOMYZQOG-DYESRHJHSA-N 1 0 476.522 4.170 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001316492102 1066429151 /nfs/dbraw/zinc/42/91/51/1066429151.db2.gz FBUIRIKSSWRAGI-KURKYZTESA-N 1 0 486.583 4.081 20 0 JIADRO COc1ccc2c(c1)c(CC(=O)N[C@H]1C[NH+]3CCC1CC3)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001336042400 1066430263 /nfs/dbraw/zinc/43/02/63/1066430263.db2.gz XKVQQLHUZSRLLO-QHCPKHFHSA-N 1 0 465.981 4.053 20 0 JIADRO O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001336268497 1066434677 /nfs/dbraw/zinc/43/46/77/1066434677.db2.gz AXKRSQJEMCNGFF-OAHLLOKOSA-N 1 0 458.937 4.269 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCO2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001316495906 1066443009 /nfs/dbraw/zinc/44/30/09/1066443009.db2.gz GWBIZLGEDAHQSY-FYYLOGMGSA-N 1 0 498.672 4.097 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)C[C@H](C)C1(F)F ZINC001316496843 1066446726 /nfs/dbraw/zinc/44/67/26/1066446726.db2.gz NANVKSITMKSTKM-GASCZTMLSA-N 1 0 471.394 4.249 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C[C@H](C)C1(F)F ZINC001316502517 1066465079 /nfs/dbraw/zinc/46/50/79/1066465079.db2.gz KTJUXNHXWFHWLF-HDICACEKSA-N 1 0 465.976 4.500 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001316504636 1066476027 /nfs/dbraw/zinc/47/60/27/1066476027.db2.gz IOSAPKIARSPUSE-INIZCTEOSA-N 1 0 451.562 4.138 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)CC1 ZINC001337503301 1066488345 /nfs/dbraw/zinc/48/83/45/1066488345.db2.gz QNMXOWNTFVYQLC-UHFFFAOYSA-N 1 0 454.571 4.051 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316508759 1066489395 /nfs/dbraw/zinc/48/93/95/1066489395.db2.gz ZQPCMGFBNALJAE-LAUBAEHRSA-N 1 0 473.618 4.364 20 0 JIADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001316509605 1066491574 /nfs/dbraw/zinc/49/15/74/1066491574.db2.gz YHGCSAGHEZRTMT-UHFFFAOYSA-N 1 0 462.442 4.147 20 0 JIADRO Cc1ccc(N2C(=S)N[C@@H](c3ccc(OCC[NH+]4CCCC4)cc3)C(C(=O)N(C)C)=C2C)cc1 ZINC001337589422 1066496325 /nfs/dbraw/zinc/49/63/25/1066496325.db2.gz UZFZAIBVLIAMRJ-VWLOTQADSA-N 1 0 478.662 4.268 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC001337637607 1066500330 /nfs/dbraw/zinc/50/03/30/1066500330.db2.gz HSCHIIVDQFELJS-UHFFFAOYSA-N 1 0 458.400 4.187 20 0 JIADRO FC(F)(F)CO[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001316514627 1066507385 /nfs/dbraw/zinc/50/73/85/1066507385.db2.gz LIADSLWZUBSVOM-GOSISDBHSA-N 1 0 489.995 4.195 20 0 JIADRO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001316514814 1066508296 /nfs/dbraw/zinc/50/82/96/1066508296.db2.gz FQOPSSNDIOSOAN-UHFFFAOYSA-N 1 0 472.943 4.375 20 0 JIADRO FC(F)COCCn1c(-c2ccccc2Br)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316519859 1066523630 /nfs/dbraw/zinc/52/36/30/1066523630.db2.gz RIXNSIJCBNQAFE-UHFFFAOYSA-N 1 0 498.416 4.444 20 0 JIADRO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)ccc2C)c(C)c1 ZINC001338046219 1066527160 /nfs/dbraw/zinc/52/71/60/1066527160.db2.gz JPUVOIASOQFPMD-QFIPXVFZSA-N 1 0 455.624 4.031 20 0 JIADRO O=C(/C=C\c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001338089863 1066529866 /nfs/dbraw/zinc/52/98/66/1066529866.db2.gz UNKDHWKQXHTUOP-HCZHMGAMSA-N 1 0 459.421 4.462 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001338276631 1066542989 /nfs/dbraw/zinc/54/29/89/1066542989.db2.gz MARVLOHNIAZPTK-JOCHJYFZSA-N 1 0 476.543 4.083 20 0 JIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)C2)CC1 ZINC001338541821 1066563071 /nfs/dbraw/zinc/56/30/71/1066563071.db2.gz AZRNMKSTURZAMZ-OAQYLSRUSA-N 1 0 458.647 4.365 20 0 JIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001338572919 1066564997 /nfs/dbraw/zinc/56/49/97/1066564997.db2.gz CRMUPGYKAAMACT-UHFFFAOYSA-N 1 0 457.578 4.321 20 0 JIADRO O=C(C1CCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001316555922 1066571958 /nfs/dbraw/zinc/57/19/58/1066571958.db2.gz CLFLCGXYBZXQHU-UHFFFAOYSA-N 1 0 493.574 4.123 20 0 JIADRO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCC(F)(F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316563369 1066582019 /nfs/dbraw/zinc/58/20/19/1066582019.db2.gz HZPQVKHYKAOPCW-UHFFFAOYSA-N 1 0 495.018 4.363 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@](C)(O)CCC(C)C)CC2)c1 ZINC001492535044 1066582785 /nfs/dbraw/zinc/58/27/85/1066582785.db2.gz YLQBFUQNRUOPMY-HHHXNRCGSA-N 1 0 462.642 4.158 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cccc(Br)n3)CC2)c1 ZINC001492534973 1066582972 /nfs/dbraw/zinc/58/29/72/1066582972.db2.gz VCXCFQVBAWFXMI-UHFFFAOYSA-N 1 0 483.458 4.313 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492537466 1066593963 /nfs/dbraw/zinc/59/39/63/1066593963.db2.gz YZWFIPPHCWVQKY-FYYLOGMGSA-N 1 0 467.614 4.313 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585908 1066608691 /nfs/dbraw/zinc/60/86/91/1066608691.db2.gz YIPBJYUFMQRKET-SJLPKXTDSA-N 1 0 485.982 4.456 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001316590250 1066619381 /nfs/dbraw/zinc/61/93/81/1066619381.db2.gz NAXLCIZZFRXPKA-MRXNPFEDSA-N 1 0 483.501 4.104 20 0 JIADRO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)N2CCOCC2)c1 ZINC001492481114 1066627166 /nfs/dbraw/zinc/62/71/66/1066627166.db2.gz SFCKTEHXYNHPKT-VWLOTQADSA-N 1 0 482.717 4.342 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492542579 1066658860 /nfs/dbraw/zinc/65/88/60/1066658860.db2.gz ZCXDOYAJXJTRLJ-UHFFFAOYSA-N 1 0 455.647 4.027 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(O)CCCC2)c1 ZINC001492543696 1066669045 /nfs/dbraw/zinc/66/90/45/1066669045.db2.gz ULIQSXZUQVFOGC-UHFFFAOYSA-N 1 0 455.647 4.027 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)C1 ZINC001347076230 1066673441 /nfs/dbraw/zinc/67/34/41/1066673441.db2.gz RJAGFQNSDORLNN-WEWMWRJBSA-N 1 0 464.606 4.067 20 0 JIADRO Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001317764514 1066674564 /nfs/dbraw/zinc/67/45/64/1066674564.db2.gz VREOXQUGCILXIN-SANMLTNESA-N 1 0 486.616 4.223 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492544083 1066678993 /nfs/dbraw/zinc/67/89/93/1066678993.db2.gz GJQDYCLXFRJLOV-QHCPKHFHSA-N 1 0 467.614 4.455 20 0 JIADRO COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001317777850 1066683106 /nfs/dbraw/zinc/68/31/06/1066683106.db2.gz RKGVVLXTWCUJSO-UHFFFAOYSA-N 1 0 474.399 4.120 20 0 JIADRO O=C1CCc2cc(S(=O)(=O)NCc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)ccc2N1 ZINC001317797939 1066694458 /nfs/dbraw/zinc/69/44/58/1066694458.db2.gz VACCDLFDKSMYCK-UHFFFAOYSA-N 1 0 475.614 4.313 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001348171288 1066725269 /nfs/dbraw/zinc/72/52/69/1066725269.db2.gz NTZKPXCODIESPP-UHFFFAOYSA-N 1 0 457.619 4.402 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492544947 1066728916 /nfs/dbraw/zinc/72/89/16/1066728916.db2.gz CDYFSMNFICIMKW-QHCPKHFHSA-N 1 0 496.700 4.171 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317889502 1066758857 /nfs/dbraw/zinc/75/88/57/1066758857.db2.gz OVXBGABNNVSHLF-KDURUIRLSA-N 1 0 490.570 4.413 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC001348918568 1066790030 /nfs/dbraw/zinc/79/00/30/1066790030.db2.gz FGORZOXJDYFDBN-PMOQBDJRSA-N 1 0 456.631 4.193 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CC[NH+](CC3CC3)CC2)cc1OC ZINC001317943076 1066802253 /nfs/dbraw/zinc/80/22/53/1066802253.db2.gz YTRJJVJNWIUVSN-UHFFFAOYSA-N 1 0 460.578 4.161 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCOc3cc(Cl)ccc3Cl)c2)CC1 ZINC001317957122 1066810541 /nfs/dbraw/zinc/81/05/41/1066810541.db2.gz JPKKDPYEQQUQPZ-UHFFFAOYSA-N 1 0 450.366 4.098 20 0 JIADRO CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001349200264 1066819229 /nfs/dbraw/zinc/81/92/29/1066819229.db2.gz SZZNRFALKSEORT-UHFFFAOYSA-N 1 0 457.527 4.319 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c2cccs2)CC1 ZINC001317993084 1066838109 /nfs/dbraw/zinc/83/81/09/1066838109.db2.gz MXBLITWBBCNVTR-NRFANRHFSA-N 1 0 464.591 4.304 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC001317999257 1066841788 /nfs/dbraw/zinc/84/17/88/1066841788.db2.gz BONBCVLMUWULHY-VHFRWLAGSA-N 1 0 487.648 4.417 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)Nc2cc(Br)ccc2I)CC1 ZINC001318008096 1066848555 /nfs/dbraw/zinc/84/85/55/1066848555.db2.gz AMPVDDHIBGGIKI-UHFFFAOYSA-N 1 0 466.161 4.002 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001349535792 1066850298 /nfs/dbraw/zinc/85/02/98/1066850298.db2.gz DKXORXKNGKZQCM-UHFFFAOYSA-N 1 0 459.612 4.471 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cnn3cccc(Br)c23)[NH+]2CCCCC2)cc1 ZINC001349592996 1066858285 /nfs/dbraw/zinc/85/82/85/1066858285.db2.gz FKWIVLHKZHFTTC-FQEVSTJZSA-N 1 0 457.372 4.062 20 0 JIADRO COc1cccc(N2CCC(NC(=O)N(CC[NH+](C)C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001318030865 1066860642 /nfs/dbraw/zinc/86/06/42/1066860642.db2.gz DSSCBUOBRUOMKD-UHFFFAOYSA-N 1 0 478.559 4.456 20 0 JIADRO O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318061975 1066878855 /nfs/dbraw/zinc/87/88/55/1066878855.db2.gz XFYNCNWGMZYISB-KRWDZBQOSA-N 1 0 468.406 4.105 20 0 JIADRO COc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061792 1066878997 /nfs/dbraw/zinc/87/89/97/1066878997.db2.gz PFZILHOXNNIEAO-RWCIVJTCSA-N 1 0 461.606 4.185 20 0 JIADRO O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318074242 1066886054 /nfs/dbraw/zinc/88/60/54/1066886054.db2.gz KPUZHQCDXFOFTI-LJQANCHMSA-N 1 0 469.561 4.001 20 0 JIADRO O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318074700 1066886390 /nfs/dbraw/zinc/88/63/90/1066886390.db2.gz XNFDSRSMQNPATC-OAQYLSRUSA-N 1 0 468.026 4.377 20 0 JIADRO O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318074643 1066886487 /nfs/dbraw/zinc/88/64/87/1066886487.db2.gz VGNNFRGLTRIKGX-SANMLTNESA-N 1 0 489.641 4.392 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC001349861798 1066888648 /nfs/dbraw/zinc/88/86/48/1066888648.db2.gz FJXIPYVVDCVHFE-LJQANCHMSA-N 1 0 455.002 4.090 20 0 JIADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001318108020 1066903725 /nfs/dbraw/zinc/90/37/25/1066903725.db2.gz WSAKUKDQFLCLDF-UHFFFAOYSA-N 1 0 463.548 4.227 20 0 JIADRO Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)N2C(=O)OC(C)(C)C ZINC001350049136 1066909299 /nfs/dbraw/zinc/90/92/99/1066909299.db2.gz PQTYXJQTCOZRTB-SFTDATJTSA-N 1 0 457.546 4.347 20 0 JIADRO CCn1nc(C)c(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1Cl ZINC001350114741 1066920034 /nfs/dbraw/zinc/92/00/34/1066920034.db2.gz HAKMLWRNZCETBX-UHFFFAOYSA-N 1 0 452.002 4.435 20 0 JIADRO O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001318143042 1066922776 /nfs/dbraw/zinc/92/27/76/1066922776.db2.gz JRSAJDUAJFGVSV-INIZCTEOSA-N 1 0 454.423 4.373 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001492547472 1066928818 /nfs/dbraw/zinc/92/88/18/1066928818.db2.gz ZWULAGKFTMGNHR-UHFFFAOYSA-N 1 0 488.558 4.406 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC001318173829 1066939385 /nfs/dbraw/zinc/93/93/85/1066939385.db2.gz RWZZGPPWYWRXRP-KRWDZBQOSA-N 1 0 477.577 4.481 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001318176792 1066940685 /nfs/dbraw/zinc/94/06/85/1066940685.db2.gz SWQBQKOYCKRABO-VQTJNVASSA-N 1 0 456.606 4.310 20 0 JIADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCCc3c2cccc3S(C)(=O)=O)c1=S ZINC001318184652 1066945132 /nfs/dbraw/zinc/94/51/32/1066945132.db2.gz JQOSGWDLXCRGBF-SFHVURJKSA-N 1 0 465.689 4.041 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001318195586 1066952072 /nfs/dbraw/zinc/95/20/72/1066952072.db2.gz WUGSVMDNKHHIFL-DEOSSOPVSA-N 1 0 451.611 4.165 20 0 JIADRO Cc1cn(CC(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c2ccccc12 ZINC001318215405 1066964323 /nfs/dbraw/zinc/96/43/23/1066964323.db2.gz KYGQZXYICVMWMQ-UHFFFAOYSA-N 1 0 453.590 4.348 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(COc4ccc5c(c4)OCO5)c3)c2)CC1 ZINC001318226371 1066971050 /nfs/dbraw/zinc/97/10/50/1066971050.db2.gz NRTYTFIOGHTNJL-UHFFFAOYSA-N 1 0 488.588 4.063 20 0 JIADRO C[NH+]1CCN(c2ccccc2C(=O)Nc2cc(Br)ccc2Br)CC1 ZINC001318237587 1066977733 /nfs/dbraw/zinc/97/77/33/1066977733.db2.gz DFOOQKBUQZNBSV-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001318276912 1066997966 /nfs/dbraw/zinc/99/79/66/1066997966.db2.gz JTYLINQEKBNSBH-HSZRJFAPSA-N 1 0 466.626 4.101 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC001318282120 1067000937 /nfs/dbraw/zinc/00/09/37/1067000937.db2.gz JTAHGZIZLHGZQE-UHFFFAOYSA-N 1 0 485.451 4.183 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCc3ccccc3OCc3ccccc3)c2)CC1 ZINC001318283403 1067001547 /nfs/dbraw/zinc/00/15/47/1067001547.db2.gz MOCCBUOIXKIWAG-UHFFFAOYSA-N 1 0 458.606 4.012 20 0 JIADRO Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001318298109 1067006735 /nfs/dbraw/zinc/00/67/35/1067006735.db2.gz BUFBDXCRZFWKSN-UHFFFAOYSA-N 1 0 468.652 4.133 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001318307443 1067010258 /nfs/dbraw/zinc/01/02/58/1067010258.db2.gz YBIGFPVHZJUVLX-UHFFFAOYSA-N 1 0 466.626 4.218 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001350857779 1067010593 /nfs/dbraw/zinc/01/05/93/1067010593.db2.gz DEMYYQUQZOXVEX-OAHLLOKOSA-N 1 0 455.360 4.052 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001300682504 1067017522 /nfs/dbraw/zinc/01/75/22/1067017522.db2.gz CWLBXUXNLBUHCY-AREMUKBSSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1)[NH+]1CCCCC1 ZINC001318335131 1067021931 /nfs/dbraw/zinc/02/19/31/1067021931.db2.gz JZTYKJJHRXLXLH-AZGAKELHSA-N 1 0 476.621 4.380 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC3(CCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300683896 1067022819 /nfs/dbraw/zinc/02/28/19/1067022819.db2.gz PBRPKCFUEYQHQY-UHFFFAOYSA-N 1 0 473.687 4.457 20 0 JIADRO C[NH+]1CCC(N(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c2ccccc2)CC1 ZINC001354662503 1067027498 /nfs/dbraw/zinc/02/74/98/1067027498.db2.gz QRUQYBQLNXRTGY-UHFFFAOYSA-N 1 0 454.621 4.056 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)(C(F)(F)F)CC1 ZINC001350986306 1067028392 /nfs/dbraw/zinc/02/83/92/1067028392.db2.gz XWYDNWQKTKJFLE-INIZCTEOSA-N 1 0 459.509 4.112 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCC[C@@H](C(F)(F)F)O3)c(C(F)(F)F)c2)CC1 ZINC001354671951 1067035511 /nfs/dbraw/zinc/03/55/11/1067035511.db2.gz DDVHZWFPCDKDKD-YOEHRIQHSA-N 1 0 453.427 4.286 20 0 JIADRO COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[NH+]2CCCCC2)cc1 ZINC001351042728 1067037239 /nfs/dbraw/zinc/03/72/39/1067037239.db2.gz PUAISZDGGIXWEI-WMZHIEFXSA-N 1 0 455.986 4.045 20 0 JIADRO Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001318404000 1067038066 /nfs/dbraw/zinc/03/80/66/1067038066.db2.gz QHBFHDQAOSTEPM-PMACEKPBSA-N 1 0 450.004 4.052 20 0 JIADRO CC1(C)C[N@@H+](C2(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)CCCCC2)CCO1 ZINC001318406160 1067039024 /nfs/dbraw/zinc/03/90/24/1067039024.db2.gz LKFBSRWYGKIFJK-UHFFFAOYSA-N 1 0 476.625 4.033 20 0 JIADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)s1)N1CCCCC1 ZINC001200751696 1067041905 /nfs/dbraw/zinc/04/19/05/1067041905.db2.gz RXXQYRFLUSBLCG-UHFFFAOYSA-N 1 0 451.564 4.081 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC001319053727 1067065327 /nfs/dbraw/zinc/06/53/27/1067065327.db2.gz OZTYZHPPAQGDEO-KDURUIRLSA-N 1 0 474.646 4.445 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)c2)n1 ZINC001319283289 1067070775 /nfs/dbraw/zinc/07/07/75/1067070775.db2.gz PMJTXAXLDDJWQG-UHFFFAOYSA-N 1 0 453.587 4.169 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C1 ZINC001319462158 1067073615 /nfs/dbraw/zinc/07/36/15/1067073615.db2.gz ACSSDDSMYFHCIW-LJQANCHMSA-N 1 0 458.562 4.201 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC001351506468 1067111616 /nfs/dbraw/zinc/11/16/16/1067111616.db2.gz VZGSGGJAFOBCAM-KPKJPENVSA-N 1 0 453.564 4.420 20 0 JIADRO CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[C@H]1c1ccccc1OC ZINC001321429136 1067128161 /nfs/dbraw/zinc/12/81/61/1067128161.db2.gz DBWTYULUWCPYMX-UFHPHHKVSA-N 1 0 492.664 4.474 20 0 JIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC001351593514 1067137693 /nfs/dbraw/zinc/13/76/93/1067137693.db2.gz FBJYBVAERNYKKK-UHFFFAOYSA-N 1 0 454.800 4.058 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC001321563474 1067166564 /nfs/dbraw/zinc/16/65/64/1067166564.db2.gz LLSKAGDNBFJAJT-UHFFFAOYSA-N 1 0 494.643 4.350 20 0 JIADRO CCN1C(=O)C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)[C@@H]1c1cccc(C)c1 ZINC001351748871 1067190572 /nfs/dbraw/zinc/19/05/72/1067190572.db2.gz FEIXSDWIRZZEDO-DHLKQENFSA-N 1 0 451.636 4.400 20 0 JIADRO C[NH+](C)CC1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200800662 1067196122 /nfs/dbraw/zinc/19/61/22/1067196122.db2.gz XIETUNWWIAFHAF-UHFFFAOYSA-N 1 0 453.219 4.321 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)c1 ZINC001321718594 1067202532 /nfs/dbraw/zinc/20/25/32/1067202532.db2.gz SQFCEYMTVRLQHC-HSZRJFAPSA-N 1 0 474.653 4.363 20 0 JIADRO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001321736134 1067205373 /nfs/dbraw/zinc/20/53/73/1067205373.db2.gz ACJSZBXWKFICFP-UHFFFAOYSA-N 1 0 498.505 4.406 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492549280 1067211051 /nfs/dbraw/zinc/21/10/51/1067211051.db2.gz WLTSIWHJIUFUTO-PZJWPPBQSA-N 1 0 453.587 4.065 20 0 JIADRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]21 ZINC001200802697 1067211004 /nfs/dbraw/zinc/21/10/04/1067211004.db2.gz ZRWXMRBOHZGBMW-TVQRCGJNSA-N 1 0 451.203 4.074 20 0 JIADRO COc1cc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001321828287 1067216128 /nfs/dbraw/zinc/21/61/28/1067216128.db2.gz VXQQIFWCZBYFLZ-ROUUACIJSA-N 1 0 460.619 4.055 20 0 JIADRO C[N@@H+]1CCC[C@@H](CCNC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200804542 1067217903 /nfs/dbraw/zinc/21/79/03/1067217903.db2.gz RLJCPUBNRQCBEL-JTQLQIEISA-N 1 0 453.219 4.369 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001351855789 1067225029 /nfs/dbraw/zinc/22/50/29/1067225029.db2.gz XADYYZLYSVYEGN-RCZVLFRGSA-N 1 0 469.651 4.204 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492549816 1067249961 /nfs/dbraw/zinc/24/99/61/1067249961.db2.gz OSVLGPRZQIDCCI-BDTNDASRSA-N 1 0 457.688 4.475 20 0 JIADRO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CC[NH+](C)C)c3ccccc3)c2)cc1 ZINC001322119551 1067254420 /nfs/dbraw/zinc/25/44/20/1067254420.db2.gz FMPIVFWUBJXALF-UHFFFAOYSA-N 1 0 467.591 4.095 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(C)c4)C3)ccc21 ZINC001351987094 1067263565 /nfs/dbraw/zinc/26/35/65/1067263565.db2.gz PBMGHDZWMFQJQP-FQEVSTJZSA-N 1 0 450.558 4.422 20 0 JIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001200812149 1067265295 /nfs/dbraw/zinc/26/52/95/1067265295.db2.gz JNQJUSADJSTENK-RUZDIDTESA-N 1 0 453.583 4.047 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001200815008 1067273797 /nfs/dbraw/zinc/27/37/97/1067273797.db2.gz SHQDUMLZAQNLKN-OAHLLOKOSA-N 1 0 467.470 4.019 20 0 JIADRO C[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC001352045897 1067274822 /nfs/dbraw/zinc/27/48/22/1067274822.db2.gz DZXUIXSZBRXRKS-HNNXBMFYSA-N 1 0 452.336 4.111 20 0 JIADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001322334049 1067277499 /nfs/dbraw/zinc/27/74/99/1067277499.db2.gz QXYLZKGDTHGHFC-AOMKIAJQSA-N 1 0 470.411 4.244 20 0 JIADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001322334435 1067277577 /nfs/dbraw/zinc/27/75/77/1067277577.db2.gz QXYLZKGDTHGHFC-KSFYIVLOSA-N 1 0 470.411 4.244 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001300757068 1067285976 /nfs/dbraw/zinc/28/59/76/1067285976.db2.gz AUWMLYNBXGDRHX-LJQANCHMSA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001300757245 1067286528 /nfs/dbraw/zinc/28/65/28/1067286528.db2.gz FPBKMFCXHFGEEZ-VQTJNVASSA-N 1 0 463.573 4.282 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300757909 1067289772 /nfs/dbraw/zinc/28/97/72/1067289772.db2.gz OGKLSTKUFWUTJG-SJLPKXTDSA-N 1 0 479.467 4.161 20 0 JIADRO C[C@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001322481455 1067298537 /nfs/dbraw/zinc/29/85/37/1067298537.db2.gz SDHDFCURMAWDLT-FQEVSTJZSA-N 1 0 489.595 4.390 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)CC1 ZINC001322588474 1067304090 /nfs/dbraw/zinc/30/40/90/1067304090.db2.gz DEXNGLWCQPMSMP-UHFFFAOYSA-N 1 0 450.377 4.271 20 0 JIADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001322611651 1067305660 /nfs/dbraw/zinc/30/56/60/1067305660.db2.gz RWOHJURHURDSHV-OAQYLSRUSA-N 1 0 461.400 4.259 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1 ZINC001352217789 1067311960 /nfs/dbraw/zinc/31/19/60/1067311960.db2.gz GGARTNNVAHQIRA-UHFFFAOYSA-N 1 0 455.456 4.212 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492579513 1067315386 /nfs/dbraw/zinc/31/53/86/1067315386.db2.gz LNHHSCRSQKKXQE-CTNGQTDRSA-N 1 0 479.591 4.455 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001323352798 1067318717 /nfs/dbraw/zinc/31/87/17/1067318717.db2.gz VNYNJEWBBUUGCI-HKUYNNGSSA-N 1 0 450.004 4.330 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001300771984 1067320986 /nfs/dbraw/zinc/32/09/86/1067320986.db2.gz HEAPHGAGZZPBHH-OAQYLSRUSA-N 1 0 492.462 4.109 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC001354993929 1067324828 /nfs/dbraw/zinc/32/48/28/1067324828.db2.gz SOQOEQMMUVTUSP-FQEVSTJZSA-N 1 0 455.624 4.172 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001492495787 1067327458 /nfs/dbraw/zinc/32/74/58/1067327458.db2.gz FPYMPFLFLHDWEL-WOJBJXKFSA-N 1 0 454.644 4.408 20 0 JIADRO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC001323882743 1067328759 /nfs/dbraw/zinc/32/87/59/1067328759.db2.gz OFDPRBBYQCSUID-UHFFFAOYSA-N 1 0 477.055 4.036 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001300777175 1067331021 /nfs/dbraw/zinc/33/10/21/1067331021.db2.gz XGBGNPHGWPJIIN-JOCHJYFZSA-N 1 0 474.049 4.129 20 0 JIADRO C[C@@H](OC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001323994583 1067331513 /nfs/dbraw/zinc/33/15/13/1067331513.db2.gz MCVSRSBMBCKLTR-MRXNPFEDSA-N 1 0 489.494 4.393 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001300781785 1067337398 /nfs/dbraw/zinc/33/73/98/1067337398.db2.gz DGRQRCDRJFFZNG-NRFANRHFSA-N 1 0 462.038 4.103 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300001168 1067338530 /nfs/dbraw/zinc/33/85/30/1067338530.db2.gz RRFQZAZRVOMKPD-UZUQRXQVSA-N 1 0 472.684 4.087 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492497811 1067339677 /nfs/dbraw/zinc/33/96/77/1067339677.db2.gz JGWAKCGLDBJIGS-QHCPKHFHSA-N 1 0 489.668 4.461 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)CC2)CC1 ZINC001300783154 1067340377 /nfs/dbraw/zinc/34/03/77/1067340377.db2.gz VHRDHWJUKSSHLY-UHFFFAOYSA-N 1 0 493.494 4.172 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC=CCC2)CC1 ZINC001300783510 1067341410 /nfs/dbraw/zinc/34/14/10/1067341410.db2.gz YRBUSQVNWGJRFV-IBGZPJMESA-N 1 0 457.594 4.213 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001492498307 1067341515 /nfs/dbraw/zinc/34/15/15/1067341515.db2.gz YOZOEUNTKAKGCZ-QFIPXVFZSA-N 1 0 461.658 4.342 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001300784753 1067344618 /nfs/dbraw/zinc/34/46/18/1067344618.db2.gz DXPMADOGNQCOQT-NRFANRHFSA-N 1 0 454.663 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001300784861 1067344898 /nfs/dbraw/zinc/34/48/98/1067344898.db2.gz GKPNEMZJOLTSRT-LJQANCHMSA-N 1 0 468.671 4.412 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001300786850 1067349699 /nfs/dbraw/zinc/34/96/99/1067349699.db2.gz SMGHHNFMVNDZOL-FQEVSTJZSA-N 1 0 451.725 4.478 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2OC)cc1 ZINC001352356502 1067350015 /nfs/dbraw/zinc/35/00/15/1067350015.db2.gz ZJRAZBXWKODWSZ-UHFFFAOYSA-N 1 0 453.917 4.151 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492553766 1067351113 /nfs/dbraw/zinc/35/11/13/1067351113.db2.gz MJXDTQQOWQHBOK-BAMDZGJYSA-N 1 0 487.714 4.054 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccccc2C)CC1 ZINC001300787515 1067351626 /nfs/dbraw/zinc/35/16/26/1067351626.db2.gz WZJAXXVLLPQZGN-HSZRJFAPSA-N 1 0 455.647 4.354 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001300787945 1067353119 /nfs/dbraw/zinc/35/31/19/1067353119.db2.gz XCKINACPWQAUCJ-HHHXNRCGSA-N 1 0 485.673 4.060 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001300005941 1067354186 /nfs/dbraw/zinc/35/41/86/1067354186.db2.gz IGZOUIUHQXFPCJ-LWEYNCJUSA-N 1 0 459.610 4.411 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001300006390 1067354501 /nfs/dbraw/zinc/35/45/01/1067354501.db2.gz OCIDKNMARHWQEN-HNNXBMFYSA-N 1 0 491.459 4.293 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300006157 1067354776 /nfs/dbraw/zinc/35/47/76/1067354776.db2.gz NDNUBEOLERHLRN-UHFFFAOYSA-N 1 0 495.653 4.419 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)cc1 ZINC001355055638 1067364366 /nfs/dbraw/zinc/36/43/66/1067364366.db2.gz UCZMGAVYNLNLGK-UHFFFAOYSA-N 1 0 459.594 4.139 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001300793272 1067365194 /nfs/dbraw/zinc/36/51/94/1067365194.db2.gz FILGYJHYMRMDBR-FXAWDEMLSA-N 1 0 479.467 4.163 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCC2)CC[C@H]1C ZINC001300793275 1067365205 /nfs/dbraw/zinc/36/52/05/1067365205.db2.gz FILGYJHYMRMDBR-YLJYHZDGSA-N 1 0 479.467 4.163 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC001300012826 1067368182 /nfs/dbraw/zinc/36/81/82/1067368182.db2.gz HDVCZHWEWHMTBU-UHFFFAOYSA-N 1 0 485.673 4.240 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC3CC3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001300014546 1067371175 /nfs/dbraw/zinc/37/11/75/1067371175.db2.gz DTXDNXVDUIYMAJ-UHFFFAOYSA-N 1 0 459.660 4.026 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492555318 1067375580 /nfs/dbraw/zinc/37/55/80/1067375580.db2.gz JKHMLDOXKYTUOS-GOTSBHOMSA-N 1 0 462.642 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300019660 1067382408 /nfs/dbraw/zinc/38/24/08/1067382408.db2.gz UOHPJMRKEBEHCH-JOCHJYFZSA-N 1 0 485.673 4.477 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492581567 1067385585 /nfs/dbraw/zinc/38/55/85/1067385585.db2.gz JWKXPWZFSMSHMY-NOZRDPDXSA-N 1 0 453.675 4.407 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1Br ZINC001300022253 1067388072 /nfs/dbraw/zinc/38/80/72/1067388072.db2.gz UEVXGMUGKXGMGI-WCJKSRRJSA-N 1 0 494.503 4.246 20 0 JIADRO C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N@H+](C)Cc1ccccc1 ZINC001355310901 1067413686 /nfs/dbraw/zinc/41/36/86/1067413686.db2.gz QSVSNGVGWBEVKB-INIZCTEOSA-N 1 0 459.363 4.414 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001300031789 1067424030 /nfs/dbraw/zinc/42/40/30/1067424030.db2.gz BFKQSQAOUYRQSX-HXUWFJFHSA-N 1 0 455.647 4.061 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300033758 1067433698 /nfs/dbraw/zinc/43/36/98/1067433698.db2.gz RJPXVDKMYLWVTB-RBDMOPTHSA-N 1 0 485.654 4.188 20 0 JIADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)CCc2ccccc21)c1cccc(Br)c1 ZINC001355374176 1067436832 /nfs/dbraw/zinc/43/68/32/1067436832.db2.gz CXQYAIPCOBJDLB-UHFFFAOYSA-N 1 0 458.400 4.103 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300034812 1067438925 /nfs/dbraw/zinc/43/89/25/1067438925.db2.gz VFQBXKQSLRWORP-FYYLOGMGSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001300037209 1067447886 /nfs/dbraw/zinc/44/78/86/1067447886.db2.gz YNPLLJZIDJALJU-MOPGFXCFSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCC(C)(F)F)cc1OC ZINC001300040005 1067457334 /nfs/dbraw/zinc/45/73/34/1067457334.db2.gz AEVIJUKAHOCGJN-GOSISDBHSA-N 1 0 463.573 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300040097 1067459935 /nfs/dbraw/zinc/45/99/35/1067459935.db2.gz DVFOGNWJTRPGCS-UHFFFAOYSA-N 1 0 494.478 4.045 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2C[C@H](C)OC)cc1 ZINC001300040229 1067461107 /nfs/dbraw/zinc/46/11/07/1067461107.db2.gz IVHXJNMUXCRJIS-SFTDATJTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001300041189 1067467640 /nfs/dbraw/zinc/46/76/40/1067467640.db2.gz ACDJVGQYNVYQQZ-UHFFFAOYSA-N 1 0 482.673 4.057 20 0 JIADRO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001355533746 1067501797 /nfs/dbraw/zinc/50/17/97/1067501797.db2.gz FVEIUALBGBXELE-QZTJIDSGSA-N 1 0 454.983 4.010 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001355579324 1067516460 /nfs/dbraw/zinc/51/64/60/1067516460.db2.gz DEZNAQDMQVVELL-FZWXVRBQSA-N 1 0 452.595 4.294 20 0 JIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2)cc1 ZINC001352553403 1067517846 /nfs/dbraw/zinc/51/78/46/1067517846.db2.gz HXYOKLNDLAJPQK-HHHXNRCGSA-N 1 0 457.574 4.400 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300052186 1067520926 /nfs/dbraw/zinc/52/09/26/1067520926.db2.gz WSTCRRRPVFWJSY-FQRUVTKNSA-N 1 0 471.646 4.088 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001492582609 1067528671 /nfs/dbraw/zinc/52/86/71/1067528671.db2.gz MYAQDWGGHXSXGP-VWLOTQADSA-N 1 0 453.656 4.113 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300053884 1067528820 /nfs/dbraw/zinc/52/88/20/1067528820.db2.gz LYOPBBUGMHGMLL-FCHUYYIVSA-N 1 0 496.700 4.064 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCC(C)(C)O)cc1 ZINC001300054050 1067529854 /nfs/dbraw/zinc/52/98/54/1067529854.db2.gz OIFSJRRBDGZGTI-NRFANRHFSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054092 1067529909 /nfs/dbraw/zinc/52/99/09/1067529909.db2.gz OZQJZUZOJRGKBU-FGZHOGPDSA-N 1 0 495.672 4.056 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492582745 1067530869 /nfs/dbraw/zinc/53/08/69/1067530869.db2.gz RSKPPEWSIYKAMU-HXUWFJFHSA-N 1 0 479.591 4.191 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2C[C@@H](C)OC)cc1OC ZINC001300054317 1067531382 /nfs/dbraw/zinc/53/13/82/1067531382.db2.gz SPMIUZXOUPIFEV-NHCUHLMSSA-N 1 0 471.646 4.090 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001492582942 1067535818 /nfs/dbraw/zinc/53/58/18/1067535818.db2.gz YNLSFZUEDSKSCZ-OAQYLSRUSA-N 1 0 484.689 4.116 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492583051 1067538536 /nfs/dbraw/zinc/53/85/36/1067538536.db2.gz BOHCYEBGOSJYKK-UNMCSNQZSA-N 1 0 479.591 4.457 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300060702 1067560021 /nfs/dbraw/zinc/56/00/21/1067560021.db2.gz PPJJXXGQRQIHRK-MZKRTTBSSA-N 1 0 471.646 4.086 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3OC)cc2Cl)CC1 ZINC001355717205 1067561485 /nfs/dbraw/zinc/56/14/85/1067561485.db2.gz WHOBGQJXGMLIKC-UHFFFAOYSA-N 1 0 453.974 4.319 20 0 JIADRO COc1ccc(CCNC(=S)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)cc1OC ZINC001200081356 1067563406 /nfs/dbraw/zinc/56/34/06/1067563406.db2.gz GHUXOVGFUCHIEL-UHFFFAOYSA-N 1 0 461.603 4.093 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492584040 1067568638 /nfs/dbraw/zinc/56/86/38/1067568638.db2.gz CILADAZVXDFDOF-ZEVJAHDQSA-N 1 0 494.728 4.286 20 0 JIADRO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1OC ZINC001352607704 1067577810 /nfs/dbraw/zinc/57/78/10/1067577810.db2.gz XRQOOJJDJBFJME-FGZHOGPDSA-N 1 0 464.587 4.075 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1cnc(C(F)(F)F)nc1 ZINC001355799519 1067582846 /nfs/dbraw/zinc/58/28/46/1067582846.db2.gz IVZOXJNRJGEWNG-UHFFFAOYSA-N 1 0 455.484 4.066 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(c4nc(C)cs4)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300068819 1067587939 /nfs/dbraw/zinc/58/79/39/1067587939.db2.gz FBCDILVNYOGPMW-UHFFFAOYSA-N 1 0 483.686 4.164 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842360 1067590548 /nfs/dbraw/zinc/59/05/48/1067590548.db2.gz JUOPDTOZMBFOIE-OCCSQVGLSA-N 1 0 453.178 4.172 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300076547 1067604401 /nfs/dbraw/zinc/60/44/01/1067604401.db2.gz UKLPZYGIYKYQKW-SIKLNZKXSA-N 1 0 494.606 4.147 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC001355950003 1067615241 /nfs/dbraw/zinc/61/52/41/1067615241.db2.gz FZDCUHBNJUGOID-SFHVURJKSA-N 1 0 450.023 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)cc1Br ZINC001300082334 1067620793 /nfs/dbraw/zinc/62/07/93/1067620793.db2.gz DQMKRQIRGRPAQK-SFHVURJKSA-N 1 0 494.478 4.450 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300082754 1067621026 /nfs/dbraw/zinc/62/10/26/1067621026.db2.gz FRJJWSJZMVPCDT-GOTSBHOMSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300084814 1067625597 /nfs/dbraw/zinc/62/55/97/1067625597.db2.gz CTAMCMJNGZHPOE-CVDCTZTESA-N 1 0 485.654 4.436 20 0 JIADRO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356029360 1067639712 /nfs/dbraw/zinc/63/97/12/1067639712.db2.gz PXVXOKGWCMBXEC-GOSISDBHSA-N 1 0 459.413 4.102 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001356052406 1067645111 /nfs/dbraw/zinc/64/51/11/1067645111.db2.gz JCUFXYZBIXBJEC-ZEQKJWHPSA-N 1 0 463.622 4.424 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300090922 1067648457 /nfs/dbraw/zinc/64/84/57/1067648457.db2.gz ZYKOJDBMYFZQHX-NSHGMRRFSA-N 1 0 461.676 4.269 20 0 JIADRO C[N@@H+]1CCN(C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C(C)(C)C ZINC001300097003 1067662477 /nfs/dbraw/zinc/66/24/77/1067662477.db2.gz LFZSCGGIZVTQIW-CQSZACIVSA-N 1 0 455.167 4.400 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300099062 1067668937 /nfs/dbraw/zinc/66/89/37/1067668937.db2.gz AYGOTJCYMAWBOU-VXKWHMMOSA-N 1 0 464.658 4.339 20 0 JIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001356193934 1067687865 /nfs/dbraw/zinc/68/78/65/1067687865.db2.gz SRQKISGXQWJKTC-UHFFFAOYSA-N 1 0 452.546 4.042 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2C(C)(C)C)cc1OC ZINC001300108527 1067705362 /nfs/dbraw/zinc/70/53/62/1067705362.db2.gz UFTDPBJIVBNGEP-HXUWFJFHSA-N 1 0 457.663 4.250 20 0 JIADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001200127025 1067705424 /nfs/dbraw/zinc/70/54/24/1067705424.db2.gz NVLYJTKLUVOWPE-UHFFFAOYSA-N 1 0 457.423 4.384 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300110121 1067708861 /nfs/dbraw/zinc/70/88/61/1067708861.db2.gz AEFAKFULLHWWLH-UHFFFAOYSA-N 1 0 493.700 4.323 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300110334 1067710043 /nfs/dbraw/zinc/71/00/43/1067710043.db2.gz CPNXBDSHATXIIT-UHFFFAOYSA-N 1 0 483.060 4.489 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC(F)(F)F)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300111302 1067712222 /nfs/dbraw/zinc/71/22/22/1067712222.db2.gz KIQMVYHUBYIWBR-UHFFFAOYSA-N 1 0 453.553 4.192 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300113651 1067719079 /nfs/dbraw/zinc/71/90/79/1067719079.db2.gz LMTYIQCKHSXLRV-PMACEKPBSA-N 1 0 457.688 4.277 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001300118596 1067731532 /nfs/dbraw/zinc/73/15/32/1067731532.db2.gz BVEIXODIVXIJNA-INIZCTEOSA-N 1 0 464.441 4.454 20 0 JIADRO O=C(Cc1cccc(N2CCCC2=O)c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001356363843 1067735882 /nfs/dbraw/zinc/73/58/82/1067735882.db2.gz XWFYSMJAWZEIBF-UHFFFAOYSA-N 1 0 459.512 4.109 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300120255 1067736701 /nfs/dbraw/zinc/73/67/01/1067736701.db2.gz GMKXUMFECUIULP-CJFMBICVSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](C)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300120257 1067736983 /nfs/dbraw/zinc/73/69/83/1067736983.db2.gz GMKXUMFECUIULP-NBGIEHNGSA-N 1 0 457.688 4.136 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001356367628 1067737184 /nfs/dbraw/zinc/73/71/84/1067737184.db2.gz BPBMHAWBQZTBBY-GOTSBHOMSA-N 1 0 456.631 4.334 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001356377851 1067738930 /nfs/dbraw/zinc/73/89/30/1067738930.db2.gz JIQHECJAQXNRRK-HSZRJFAPSA-N 1 0 453.608 4.365 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300125992 1067751641 /nfs/dbraw/zinc/75/16/41/1067751641.db2.gz OGYNRLSEJXNRBL-XPWALMASSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300126271 1067753114 /nfs/dbraw/zinc/75/31/14/1067753114.db2.gz QXSAPUPFTPIPSF-UKILVPOCSA-N 1 0 483.701 4.444 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)cc1 ZINC001352841566 1067760448 /nfs/dbraw/zinc/76/04/48/1067760448.db2.gz DOAZPMCURVKLNX-UHFFFAOYSA-N 1 0 459.631 4.379 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300128237 1067760846 /nfs/dbraw/zinc/76/08/46/1067760846.db2.gz LFPQKHWZMZMVBY-QEUIGEMPSA-N 1 0 457.638 4.377 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001300128709 1067762082 /nfs/dbraw/zinc/76/20/82/1067762082.db2.gz SQTJNFZKPITSNL-WIYYLYMNSA-N 1 0 465.564 4.192 20 0 JIADRO O=C(Nc1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC001300129792 1067764951 /nfs/dbraw/zinc/76/49/51/1067764951.db2.gz PLIRVTSPDSFBHM-SFTDATJTSA-N 1 0 456.384 4.448 20 0 JIADRO C[C@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503768 1067765697 /nfs/dbraw/zinc/76/56/97/1067765697.db2.gz TULPLUIKNFGVQC-ZNUVSDCZSA-N 1 0 472.427 4.339 20 0 JIADRO Cc1cc([C@H](CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001356508491 1067767687 /nfs/dbraw/zinc/76/76/87/1067767687.db2.gz ZMWOPFUQQQFSSE-LMMKCTJWSA-N 1 0 453.027 4.378 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC001352858356 1067768062 /nfs/dbraw/zinc/76/80/62/1067768062.db2.gz KLMMXDWMLWGRTI-UHFFFAOYSA-N 1 0 459.306 4.437 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001352861240 1067772004 /nfs/dbraw/zinc/77/20/04/1067772004.db2.gz HOLQYFOACGGWSH-UHFFFAOYSA-N 1 0 457.789 4.125 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 ZINC001352872525 1067778268 /nfs/dbraw/zinc/77/82/68/1067778268.db2.gz VOLCPBYRGZEPIB-UHFFFAOYSA-N 1 0 458.940 4.497 20 0 JIADRO COC(=O)[C@@]1(NC(=S)Nc2ccc(C)cc2Br)CCC[N@H+](Cc2ccccc2)C1 ZINC001200157054 1067779401 /nfs/dbraw/zinc/77/94/01/1067779401.db2.gz XBABWAHRKMKUOF-JOCHJYFZSA-N 1 0 476.440 4.252 20 0 JIADRO COc1ccc(CNC(=[NH2+])NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1OC ZINC000849067813 1067795582 /nfs/dbraw/zinc/79/55/82/1067795582.db2.gz HZECORMZHUPCFE-UHFFFAOYSA-N 1 0 461.488 4.339 20 0 JIADRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1Cl ZINC000849073825 1067797261 /nfs/dbraw/zinc/79/72/61/1067797261.db2.gz GGTKBIBIQBFHJO-GOSISDBHSA-N 1 0 456.896 4.377 20 0 JIADRO COc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](C(C)C)CC2)cc1Br ZINC001300146701 1067800567 /nfs/dbraw/zinc/80/05/67/1067800567.db2.gz KEPUCLIDOYQXTJ-UHFFFAOYSA-N 1 0 499.457 4.193 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000488015719 1067805395 /nfs/dbraw/zinc/80/53/95/1067805395.db2.gz SKEHBAPQOGYDPZ-HSZRJFAPSA-N 1 0 464.635 4.273 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(C)onc2-c2cccs2)cc1OC ZINC001357117716 1067806222 /nfs/dbraw/zinc/80/62/22/1067806222.db2.gz NJYFZSHWMUTVAD-UHFFFAOYSA-N 1 0 456.568 4.044 20 0 JIADRO C[N@H+](CCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154131 1067810471 /nfs/dbraw/zinc/81/04/71/1067810471.db2.gz LUCAKXWDPHRUFE-CEMLEFRQSA-N 1 0 451.652 4.094 20 0 JIADRO CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357187023 1067816015 /nfs/dbraw/zinc/81/60/15/1067816015.db2.gz FKVJMQAWDUIMFO-DEOSSOPVSA-N 1 0 459.594 4.373 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001300162421 1067817824 /nfs/dbraw/zinc/81/78/24/1067817824.db2.gz MTKOBCFLKUWWIN-FQEVSTJZSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001300162571 1067818110 /nfs/dbraw/zinc/81/81/10/1067818110.db2.gz PABULTQWJVHVCX-QFIPXVFZSA-N 1 0 480.657 4.305 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001300164043 1067821289 /nfs/dbraw/zinc/82/12/89/1067821289.db2.gz IAGBBMYTJOTLGQ-JOCHJYFZSA-N 1 0 478.641 4.362 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CC[C@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001200193256 1067826678 /nfs/dbraw/zinc/82/66/78/1067826678.db2.gz DADYZHPCLQXXBQ-KRWDZBQOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300169305 1067827258 /nfs/dbraw/zinc/82/72/58/1067827258.db2.gz DDTHUMIIHAABRM-NRFANRHFSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001300169299 1067827272 /nfs/dbraw/zinc/82/72/72/1067827272.db2.gz DCRYTHKIUHZNDX-DHIUTWEWSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cc1O ZINC001300170423 1067829288 /nfs/dbraw/zinc/82/92/88/1067829288.db2.gz RYKHTRWFSTZBCI-WMZHIEFXSA-N 1 0 457.619 4.135 20 0 JIADRO CCCCN(C)c1ccc(NC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001200196473 1067830637 /nfs/dbraw/zinc/83/06/37/1067830637.db2.gz GCIFRFUPGJDCBF-JOCHJYFZSA-N 1 0 459.635 4.082 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1C ZINC001300171728 1067830841 /nfs/dbraw/zinc/83/08/41/1067830841.db2.gz BDIVZZJYTIRNMQ-UHFFFAOYSA-N 1 0 492.668 4.107 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300173621 1067833012 /nfs/dbraw/zinc/83/30/12/1067833012.db2.gz MBKMDRBZSRWUOY-UYAOXDASSA-N 1 0 459.610 4.077 20 0 JIADRO COC(=O)c1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001357368609 1067839712 /nfs/dbraw/zinc/83/97/12/1067839712.db2.gz HMLBZXPQQNTIKV-RRPNLBNLSA-N 1 0 456.586 4.356 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCC2)cc1F ZINC001300179378 1067841763 /nfs/dbraw/zinc/84/17/63/1067841763.db2.gz RGYBKUCRRDLWGE-NFBKMPQASA-N 1 0 473.637 4.467 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300179627 1067842319 /nfs/dbraw/zinc/84/23/19/1067842319.db2.gz BKGSEQBMYPLTRW-JOCHJYFZSA-N 1 0 479.654 4.149 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cn2)CC1 ZINC001357413669 1067846561 /nfs/dbraw/zinc/84/65/61/1067846561.db2.gz XUSKCYIRDVRZSG-QHCPKHFHSA-N 1 0 454.933 4.385 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(OC)n1 ZINC001300184187 1067847299 /nfs/dbraw/zinc/84/72/99/1067847299.db2.gz HDFFTMMFPFDTNE-FQEVSTJZSA-N 1 0 470.662 4.343 20 0 JIADRO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434238 1067849526 /nfs/dbraw/zinc/84/95/26/1067849526.db2.gz FZVWPGUNKVTOKE-TZIWHRDSSA-N 1 0 459.384 4.082 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)c2ncc(Br)cc2Br)cc1 ZINC001353094514 1067861179 /nfs/dbraw/zinc/86/11/79/1067861179.db2.gz YFXXOPPLRVYEDY-UHFFFAOYSA-N 1 0 457.166 4.189 20 0 JIADRO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)cc1OC(F)F ZINC001300200749 1067871560 /nfs/dbraw/zinc/87/15/60/1067871560.db2.gz CCPWGABCQOPCFY-UHFFFAOYSA-N 1 0 486.567 4.085 20 0 JIADRO CCCOc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(OC(C)C)c1 ZINC001357583063 1067873848 /nfs/dbraw/zinc/87/38/48/1067873848.db2.gz PUACKXQKBZFRHH-UHFFFAOYSA-N 1 0 453.583 4.096 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001200231923 1067875852 /nfs/dbraw/zinc/87/58/52/1067875852.db2.gz WNHXDFZHIZJXMA-UHFFFAOYSA-N 1 0 461.473 4.170 20 0 JIADRO O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001357607212 1067876584 /nfs/dbraw/zinc/87/65/84/1067876584.db2.gz WEAXPNWSCFHOPP-UHFFFAOYSA-N 1 0 459.493 4.394 20 0 JIADRO O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357606260 1067876608 /nfs/dbraw/zinc/87/66/08/1067876608.db2.gz RDTIZSXLOQIKAJ-UHFFFAOYSA-N 1 0 451.436 4.044 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4F)no3)cc2)C1 ZINC001357645644 1067881794 /nfs/dbraw/zinc/88/17/94/1067881794.db2.gz PVWMJWVUPJPZNR-HNNXBMFYSA-N 1 0 456.905 4.084 20 0 JIADRO Cc1ccc(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c(Br)c1 ZINC001357644120 1067881861 /nfs/dbraw/zinc/88/18/61/1067881861.db2.gz GEFVBCGNRGSPAG-IBGZPJMESA-N 1 0 458.400 4.026 20 0 JIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(OCCC(C)C)c1 ZINC001357647345 1067882057 /nfs/dbraw/zinc/88/20/57/1067882057.db2.gz YZFITZNDSXYJKM-HXUWFJFHSA-N 1 0 453.583 4.070 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1OC(F)F ZINC001300216319 1067886637 /nfs/dbraw/zinc/88/66/37/1067886637.db2.gz VKAVPSIHWMNTKH-UHFFFAOYSA-N 1 0 463.573 4.200 20 0 JIADRO Cc1ccccc1-c1nnc(N(CCC(F)(F)F)CC2CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001492560129 1067887990 /nfs/dbraw/zinc/88/79/90/1067887990.db2.gz FSWMOJRXPNHDCH-UHFFFAOYSA-N 1 0 478.607 4.448 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300235785 1067926731 /nfs/dbraw/zinc/92/67/31/1067926731.db2.gz KWMPTLKTCDQOFS-HDICACEKSA-N 1 0 450.027 4.199 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300235787 1067927359 /nfs/dbraw/zinc/92/73/59/1067927359.db2.gz KWMPTLKTCDQOFS-QZTJIDSGSA-N 1 0 450.027 4.199 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+](C)C(C)C ZINC001300237055 1067931228 /nfs/dbraw/zinc/93/12/28/1067931228.db2.gz CLQDEDKOGIJTLB-SFHVURJKSA-N 1 0 450.027 4.201 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]Cc3cccc(OCC(F)F)c3)o2)CC1 ZINC001200281036 1067945823 /nfs/dbraw/zinc/94/58/23/1067945823.db2.gz JJEKRRNBQZKVCZ-UHFFFAOYSA-N 1 0 451.514 4.270 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(CC(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300241534 1067954335 /nfs/dbraw/zinc/95/43/35/1067954335.db2.gz IPCKZBKJHDQVLM-UHFFFAOYSA-N 1 0 489.108 4.182 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300248573 1067986788 /nfs/dbraw/zinc/98/67/88/1067986788.db2.gz CMCJMHMWKPSZHU-LJQANCHMSA-N 1 0 452.603 4.060 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492562195 1068014271 /nfs/dbraw/zinc/01/42/71/1068014271.db2.gz HSGZJUWAINIEJI-HXUWFJFHSA-N 1 0 465.564 4.269 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2cccc3ncccc32)cc1OC ZINC001358086261 1068016549 /nfs/dbraw/zinc/01/65/49/1068016549.db2.gz YUMAQROIOCRQCO-UHFFFAOYSA-N 1 0 454.958 4.221 20 0 JIADRO CCOC(=O)N1[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[C@@H]1c1ccc(C)o1 ZINC001358096195 1068018266 /nfs/dbraw/zinc/01/82/66/1068018266.db2.gz ZFIJEMXENIAETH-NHCUHLMSSA-N 1 0 457.596 4.438 20 0 JIADRO Cc1ccc(CNC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)cc1 ZINC001200309433 1068039359 /nfs/dbraw/zinc/03/93/59/1068039359.db2.gz MAAHDZVZOBYQQH-SHQCIBLASA-N 1 0 464.679 4.015 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCCS(C)(=O)=O ZINC001492563556 1068040831 /nfs/dbraw/zinc/04/08/31/1068040831.db2.gz FXMJRKSFQIMWBX-JOCHJYFZSA-N 1 0 487.714 4.169 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492563645 1068043137 /nfs/dbraw/zinc/04/31/37/1068043137.db2.gz IUBXDEJZUNVBHJ-VWLOTQADSA-N 1 0 480.701 4.459 20 0 JIADRO Cc1cc2c(o1)c(C(=O)Nc1ccc3oc(=O)n(CC[NH+](C)C)c3c1)ccc2Br ZINC001358210693 1068044722 /nfs/dbraw/zinc/04/47/22/1068044722.db2.gz PRRGGBSQAGTVQU-UHFFFAOYSA-N 1 0 458.312 4.226 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300269214 1068045026 /nfs/dbraw/zinc/04/50/26/1068045026.db2.gz JFCYCJXVASTARF-NQIIRXRSSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300274170 1068057113 /nfs/dbraw/zinc/05/71/13/1068057113.db2.gz YQIQZDISDNZPCP-VXKWHMMOSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001492564462 1068065872 /nfs/dbraw/zinc/06/58/72/1068065872.db2.gz IGIWXWZBBWCGAU-QFIPXVFZSA-N 1 0 482.673 4.479 20 0 JIADRO Cc1ccc(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cc1NC(=O)CC[NH+](C)C ZINC001358450667 1068094776 /nfs/dbraw/zinc/09/47/76/1068094776.db2.gz OIJZKVQMWJKQEP-VQTJNVASSA-N 1 0 460.619 4.297 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](c2cccnc2)C(C)C)cc1 ZINC001300293468 1068101644 /nfs/dbraw/zinc/10/16/44/1068101644.db2.gz AFWIBJCTXBMKRW-VWLOTQADSA-N 1 0 478.641 4.231 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001300296985 1068126912 /nfs/dbraw/zinc/12/69/12/1068126912.db2.gz RHAXKGLKUUJIOQ-GJZUVCINSA-N 1 0 499.700 4.485 20 0 JIADRO CSc1cccc(N(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C2CC[NH+](C)CC2)c1 ZINC001353443055 1068138083 /nfs/dbraw/zinc/13/80/83/1068138083.db2.gz MATSIRIPPRGSAI-VWLOTQADSA-N 1 0 451.636 4.372 20 0 JIADRO CSc1cccc(N(C(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)C2CC[NH+](C)CC2)c1 ZINC001353443053 1068138473 /nfs/dbraw/zinc/13/84/73/1068138473.db2.gz MATSIRIPPRGSAI-RUZDIDTESA-N 1 0 451.636 4.372 20 0 JIADRO COc1ccc(OCCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001300305016 1068159534 /nfs/dbraw/zinc/15/95/34/1068159534.db2.gz JTGADWUZYMNRTF-UHFFFAOYSA-N 1 0 485.032 4.392 20 0 JIADRO COc1cccc(C2([NH2+]CCC(=O)Nc3ccc(Br)cc3)CCOCC2)c1F ZINC001473433361 1068175946 /nfs/dbraw/zinc/17/59/46/1068175946.db2.gz UYZZOLQFGDCLKC-UHFFFAOYSA-N 1 0 451.336 4.221 20 0 JIADRO COc1ccc(CNC(=S)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001200358528 1068225125 /nfs/dbraw/zinc/22/51/25/1068225125.db2.gz BJIKBUWHBOKYBK-UHFFFAOYSA-N 1 0 460.647 4.500 20 0 JIADRO C[C@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)N(C)C(=O)OC(C)(C)C ZINC001200366121 1068259305 /nfs/dbraw/zinc/25/93/05/1068259305.db2.gz QZLQZSYMUIABQX-OAHLLOKOSA-N 1 0 454.637 4.171 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001473607457 1068271034 /nfs/dbraw/zinc/27/10/34/1068271034.db2.gz RKLWJICCRZFYDS-XMMPIXPASA-N 1 0 450.023 4.206 20 0 JIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000612990319 1068280705 /nfs/dbraw/zinc/28/07/05/1068280705.db2.gz NOMBMRROTXJPLV-UHFFFAOYSA-N 1 0 461.588 4.232 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(CC(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC001300333456 1068289799 /nfs/dbraw/zinc/28/97/99/1068289799.db2.gz ANLZTNSWEMUAHT-XMMPIXPASA-N 1 0 482.673 4.231 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCN(Cc3ccsc3)CC2)[NH+](C)C)c1 ZINC001300333514 1068291905 /nfs/dbraw/zinc/29/19/05/1068291905.db2.gz BLKONRYTZZJPEY-QHCPKHFHSA-N 1 0 468.671 4.097 20 0 JIADRO CC(C)N1C(=O)C[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001353538476 1068303732 /nfs/dbraw/zinc/30/37/32/1068303732.db2.gz MIHCDTPWVGGIAA-YKSBVNFPSA-N 1 0 459.993 4.415 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(CC(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC001300334898 1068303809 /nfs/dbraw/zinc/30/38/09/1068303809.db2.gz KNFYKNAVAYHOFF-DEOSSOPVSA-N 1 0 465.646 4.395 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300338672 1068317112 /nfs/dbraw/zinc/31/71/12/1068317112.db2.gz DAMBMPBLTHNFNR-DVECYGJZSA-N 1 0 479.673 4.324 20 0 JIADRO C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165649 1068321283 /nfs/dbraw/zinc/32/12/83/1068321283.db2.gz VVCMXDUJWDYNDO-BEFAXECRSA-N 1 0 457.600 4.292 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300341529 1068328860 /nfs/dbraw/zinc/32/88/60/1068328860.db2.gz RYZDXDMGIKPDPW-UYAOXDASSA-N 1 0 467.536 4.016 20 0 JIADRO COc1ccc(-c2cc(C(=O)Nc3ccn(CC[NH+](C)C)n3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000523288239 1068343642 /nfs/dbraw/zinc/34/36/42/1068343642.db2.gz FQXREZYUTAXZPL-UHFFFAOYSA-N 1 0 495.587 4.415 20 0 JIADRO Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3ccn(CC[NH+](C)C)n3)c12 ZINC000523716633 1068347011 /nfs/dbraw/zinc/34/70/11/1068347011.db2.gz ANUGODGSSNCAOJ-UHFFFAOYSA-N 1 0 471.590 4.468 20 0 JIADRO C[N@H+](CCOc1cccc(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)c1)C1CCOCC1 ZINC000524410820 1068350964 /nfs/dbraw/zinc/35/09/64/1068350964.db2.gz YKDDVKXDNWUKPM-UHFFFAOYSA-N 1 0 474.605 4.229 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001300350380 1068359790 /nfs/dbraw/zinc/35/97/90/1068359790.db2.gz GDHRNRLGBGVBOX-UHFFFAOYSA-N 1 0 495.697 4.331 20 0 JIADRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC001474155279 1068366781 /nfs/dbraw/zinc/36/67/81/1068366781.db2.gz FBZCAFAFUFBCKO-GFCCVEGCSA-N 1 0 450.215 4.252 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CCSC(C)C)c1 ZINC001300355031 1068375088 /nfs/dbraw/zinc/37/50/88/1068375088.db2.gz MLJICWZOLXEQLB-XUZZJYLKSA-N 1 0 497.713 4.348 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001300370261 1068420425 /nfs/dbraw/zinc/42/04/25/1068420425.db2.gz WRRLOOAFUZNKKN-IAGOWNOFSA-N 1 0 480.440 4.352 20 0 JIADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001353673418 1068426894 /nfs/dbraw/zinc/42/68/94/1068426894.db2.gz FYFPXMVWHXQFIT-KFXIKWRMSA-N 1 0 456.395 4.019 20 0 JIADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001353673420 1068427117 /nfs/dbraw/zinc/42/71/17/1068427117.db2.gz FYFPXMVWHXQFIT-YLQKULKDSA-N 1 0 456.395 4.019 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1ccccc1 ZINC001353683329 1068452117 /nfs/dbraw/zinc/45/21/17/1068452117.db2.gz BBZCMMFVTOPYFQ-ROKPMTFOSA-N 1 0 457.640 4.375 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300378230 1068459566 /nfs/dbraw/zinc/45/95/66/1068459566.db2.gz ZZGKGUAPDQAAOC-BJLQDIEVSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300379258 1068463788 /nfs/dbraw/zinc/46/37/88/1068463788.db2.gz AVBWOYWMDMBRDS-URXFXBBRSA-N 1 0 485.673 4.239 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCOC(C)C)c1 ZINC001300379767 1068464982 /nfs/dbraw/zinc/46/49/82/1068464982.db2.gz VAQDFENICYRJCH-FGZHOGPDSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001300389485 1068501065 /nfs/dbraw/zinc/50/10/65/1068501065.db2.gz OUIGCLKJCZCQTO-UHFFFAOYSA-N 1 0 488.558 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300390363 1068505607 /nfs/dbraw/zinc/50/56/07/1068505607.db2.gz WPFKZZNYFIYDJX-NRFANRHFSA-N 1 0 496.681 4.013 20 0 JIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001353733681 1068523903 /nfs/dbraw/zinc/52/39/03/1068523903.db2.gz AIEFYZFSALLOSM-JOCHJYFZSA-N 1 0 453.583 4.049 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300398665 1068545735 /nfs/dbraw/zinc/54/57/35/1068545735.db2.gz DMIJHNMOIJRATB-GOTSBHOMSA-N 1 0 455.647 4.283 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(NC(=S)NCC[NH+]2CCCCC2)(c2cccc(F)c2)CC1 ZINC001200440553 1068558318 /nfs/dbraw/zinc/55/83/18/1068558318.db2.gz DJQVHRKPFWFHKR-UHFFFAOYSA-N 1 0 464.651 4.002 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCSc2ccc(F)cc2)CC1 ZINC001353766448 1068562662 /nfs/dbraw/zinc/56/26/62/1068562662.db2.gz YMJPAHGGXVRPLY-UHFFFAOYSA-N 1 0 455.521 4.395 20 0 JIADRO COc1cccc(C2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001300406030 1068569022 /nfs/dbraw/zinc/56/90/22/1068569022.db2.gz RAFZJUZUUZVJLT-UHFFFAOYSA-N 1 0 468.671 4.367 20 0 JIADRO C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001353775301 1068571705 /nfs/dbraw/zinc/57/17/05/1068571705.db2.gz WTHPZLUDZUZPIE-KRWDZBQOSA-N 1 0 451.508 4.481 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(-c4ccc(C)o4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300410084 1068588310 /nfs/dbraw/zinc/58/83/10/1068588310.db2.gz UJHOGKBSUBVAAG-ZJSXRUAMSA-N 1 0 467.614 4.409 20 0 JIADRO COc1cccc(CCn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001300415795 1068609307 /nfs/dbraw/zinc/60/93/07/1068609307.db2.gz PXLPEUCMYVTFAX-MUUNZHRXSA-N 1 0 499.700 4.128 20 0 JIADRO C[C@H](NC(=O)Nc1ccc(Br)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200455736 1068618702 /nfs/dbraw/zinc/61/87/02/1068618702.db2.gz ZSYABFYANNWISQ-ZDUSSCGKSA-N 1 0 453.331 4.362 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300417932 1068620432 /nfs/dbraw/zinc/62/04/32/1068620432.db2.gz OTLMSKOJTYTMEU-GMAHTHKFSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300420618 1068632758 /nfs/dbraw/zinc/63/27/58/1068632758.db2.gz DEHFUXLXTDIJQO-OAQYLSRUSA-N 1 0 462.642 4.419 20 0 JIADRO CC(C)c1nc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nn1-c1ccccc1Cl ZINC001300434544 1068692541 /nfs/dbraw/zinc/69/25/41/1068692541.db2.gz BMPXTQVMEOYZST-UHFFFAOYSA-N 1 0 452.990 4.081 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437363 1068701291 /nfs/dbraw/zinc/70/12/91/1068701291.db2.gz OGTTUCKSCBXQGS-ZFGGDYGUSA-N 1 0 499.700 4.268 20 0 JIADRO C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001353893635 1068728126 /nfs/dbraw/zinc/72/81/26/1068728126.db2.gz MOSKXJCDVJFVNN-QGZVFWFLSA-N 1 0 450.410 4.386 20 0 JIADRO COc1cccc(OCCCn2c(C(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001300453008 1068763380 /nfs/dbraw/zinc/76/33/80/1068763380.db2.gz YUVCRBLYVNMYIG-SZPZYZBQSA-N 1 0 485.673 4.205 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccco1)[NH+]1CCCC1 ZINC001300457051 1068779388 /nfs/dbraw/zinc/77/93/88/1068779388.db2.gz ZCXACHCOJSMSQH-TZIWHRDSSA-N 1 0 480.613 4.052 20 0 JIADRO Cc1sc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c(C(N)=O)c1-c1ccccc1 ZINC001353945369 1068782395 /nfs/dbraw/zinc/78/23/95/1068782395.db2.gz KXHJBHKRTQQHDV-UHFFFAOYSA-N 1 0 451.592 4.334 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001492565723 1068797421 /nfs/dbraw/zinc/79/74/21/1068797421.db2.gz HVKBDJVHGIDQGY-JOCHJYFZSA-N 1 0 466.674 4.118 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cc(C)cs2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300465246 1068803305 /nfs/dbraw/zinc/80/33/05/1068803305.db2.gz HLZSZQGASAMNGS-QFIPXVFZSA-N 1 0 469.655 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300469529 1068810263 /nfs/dbraw/zinc/81/02/63/1068810263.db2.gz CGGVHWNCAPVMNU-CALCHBBNSA-N 1 0 469.552 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300471182 1068812431 /nfs/dbraw/zinc/81/24/31/1068812431.db2.gz SUKZWTQEINLVFT-FCHUYYIVSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(CNC(=S)NCC2CC[NH+](Cc3ccccc3Br)CC2)c1OC ZINC001200528096 1068827125 /nfs/dbraw/zinc/82/71/25/1068827125.db2.gz JNWKAVZAGCGYJM-UHFFFAOYSA-N 1 0 492.483 4.343 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001492566784 1068828155 /nfs/dbraw/zinc/82/81/55/1068828155.db2.gz WANUMFKEKYVIRP-NRFANRHFSA-N 1 0 470.662 4.429 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300480369 1068833199 /nfs/dbraw/zinc/83/31/99/1068833199.db2.gz ZEUBJDBKWRGOSJ-WOJBJXKFSA-N 1 0 455.647 4.468 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001492567606 1068836353 /nfs/dbraw/zinc/83/63/53/1068836353.db2.gz CVDOWAHSHOQEQU-RBBKRZOGSA-N 1 0 482.673 4.431 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300482989 1068838505 /nfs/dbraw/zinc/83/85/05/1068838505.db2.gz NQEMTKKJMUBILO-SFTDATJTSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300484816 1068842522 /nfs/dbraw/zinc/84/25/22/1068842522.db2.gz WGADONORXJRICS-UHFFFAOYSA-N 1 0 496.700 4.159 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492568235 1068842802 /nfs/dbraw/zinc/84/28/02/1068842802.db2.gz MFQUNEUIRAHTSF-SFTDATJTSA-N 1 0 468.646 4.183 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 ZINC001354028873 1068842812 /nfs/dbraw/zinc/84/28/12/1068842812.db2.gz CXLBQBJUCKMWLB-UHFFFAOYSA-N 1 0 456.755 4.191 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300486050 1068845815 /nfs/dbraw/zinc/84/58/15/1068845815.db2.gz OWKGQCFSVLINJO-HSZRJFAPSA-N 1 0 496.700 4.016 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300491678 1068857047 /nfs/dbraw/zinc/85/70/47/1068857047.db2.gz NZXVBUFLXPFPRE-NZQKXSOJSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300492312 1068858332 /nfs/dbraw/zinc/85/83/32/1068858332.db2.gz OURXIWJEXPCHHU-WZONZLPQSA-N 1 0 495.590 4.358 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300498466 1068866929 /nfs/dbraw/zinc/86/69/29/1068866929.db2.gz NWUJDUFBEMFWPE-GOTSBHOMSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513747 1068894965 /nfs/dbraw/zinc/89/49/65/1068894965.db2.gz PIYQARBJJHEPPS-UNMCSNQZSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001300522120 1068916145 /nfs/dbraw/zinc/91/61/45/1068916145.db2.gz SWYHHRZDHSTZHM-QFIPXVFZSA-N 1 0 468.646 4.031 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300531647 1068945176 /nfs/dbraw/zinc/94/51/76/1068945176.db2.gz YJKAUMZKLIBDIU-VRIJDZSUSA-N 1 0 499.700 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)cs2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300533991 1068950925 /nfs/dbraw/zinc/95/09/25/1068950925.db2.gz AZZQOGBVSIFRPO-OAQYLSRUSA-N 1 0 483.682 4.385 20 0 JIADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)C2=O)cc1 ZINC000849201588 1068958242 /nfs/dbraw/zinc/95/82/42/1068958242.db2.gz OHGSTMDZHWLYDP-MHZLTWQESA-N 1 0 462.594 4.165 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCSCCCO ZINC001492568995 1068964109 /nfs/dbraw/zinc/96/41/09/1068964109.db2.gz IFTQMAJHKGXITP-UHFFFAOYSA-N 1 0 457.688 4.070 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300542037 1068975483 /nfs/dbraw/zinc/97/54/83/1068975483.db2.gz LVEJPWWQFQWTAD-IDISGSTGSA-N 1 0 469.674 4.251 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)[C@H]1c1cccs1 ZINC001354209632 1068979890 /nfs/dbraw/zinc/97/98/90/1068979890.db2.gz IRVGNXTVPIAPDC-ZLDLUXBVSA-N 1 0 450.240 4.143 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001354211732 1068982044 /nfs/dbraw/zinc/98/20/44/1068982044.db2.gz YVYCHXLWCBYTRP-TYCQWZJGSA-N 1 0 459.612 4.375 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC001200598362 1068989253 /nfs/dbraw/zinc/98/92/53/1068989253.db2.gz YCVXQCVZWQMNOH-HNNXBMFYSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300548513 1068991307 /nfs/dbraw/zinc/99/13/07/1068991307.db2.gz NPTYHACNCKRLMQ-PMACEKPBSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300548671 1068993066 /nfs/dbraw/zinc/99/30/66/1068993066.db2.gz NTZIJISCWOTHFJ-WIYYLYMNSA-N 1 0 495.590 4.298 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300551364 1068999949 /nfs/dbraw/zinc/99/99/49/1068999949.db2.gz CVVDKWIOJHLKHI-SFHVURJKSA-N 1 0 488.474 4.488 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@](C)(O)C(C)C ZINC001492570186 1069017303 /nfs/dbraw/zinc/01/73/03/1069017303.db2.gz SURAACSQZVAIQS-VWLOTQADSA-N 1 0 453.656 4.087 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300561318 1069032442 /nfs/dbraw/zinc/03/24/42/1069032442.db2.gz FHOXHTJZBNCTRA-JTHBVZDNSA-N 1 0 469.674 4.393 20 0 JIADRO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478729 1069047721 /nfs/dbraw/zinc/04/77/21/1069047721.db2.gz JUIFJEOBYSLDTF-HHHXNRCGSA-N 1 0 465.686 4.425 20 0 JIADRO 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JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849493963 1069063902 /nfs/dbraw/zinc/06/39/02/1069063902.db2.gz NUYRGUQXARKAHH-RBUKOAKNSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849494989 1069065968 /nfs/dbraw/zinc/06/59/68/1069065968.db2.gz ZNUSYOBTUZZUFO-IRXDYDNUSA-N 1 0 458.912 4.467 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496402 1069067798 /nfs/dbraw/zinc/06/77/98/1069067798.db2.gz KGJWJZZUYLLVKQ-KAYWLYCHSA-N 1 0 471.649 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849497295 1069068576 /nfs/dbraw/zinc/06/85/76/1069068576.db2.gz OBBUAYZHFMIPJV-AZUAARDMSA-N 1 0 484.442 4.063 20 0 JIADRO Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498526 1069070419 /nfs/dbraw/zinc/07/04/19/1069070419.db2.gz AULXXNYQLCAHKN-RPWUZVMVSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849500140 1069072113 /nfs/dbraw/zinc/07/21/13/1069072113.db2.gz GRFOWMFEZDAYAC-RRPNLBNLSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849500437 1069072185 /nfs/dbraw/zinc/07/21/85/1069072185.db2.gz PNOJXMLCZYNHSW-YMSRPXOMSA-N 1 0 473.621 4.364 20 0 JIADRO Cc1cccc(COc2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)c1 ZINC000849501123 1069073034 /nfs/dbraw/zinc/07/30/34/1069073034.db2.gz SSXSSTKFZIGBFA-SVBPBHIXSA-N 1 0 460.622 4.438 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCSC1(C)C ZINC001300571437 1069080263 /nfs/dbraw/zinc/08/02/63/1069080263.db2.gz BXWOMMYGYZEBTM-NRFANRHFSA-N 1 0 457.688 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503930 1069082535 /nfs/dbraw/zinc/08/25/35/1069082535.db2.gz AEGMYJQWATVHAO-JWQCQUIFSA-N 1 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4.429 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849516414 1069100829 /nfs/dbraw/zinc/10/08/29/1069100829.db2.gz PHVXKLQDUMGWKM-OALUTQOASA-N 1 0 451.596 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOCC3(CCC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300576838 1069102277 /nfs/dbraw/zinc/10/22/77/1069102277.db2.gz LSUSPKNMNRMZLE-UHFFFAOYSA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515672 1069102432 /nfs/dbraw/zinc/10/24/32/1069102432.db2.gz HGSNCGSOKFZNGU-JWQCQUIFSA-N 1 0 468.605 4.314 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518310 1069104881 /nfs/dbraw/zinc/10/48/81/1069104881.db2.gz NNOLDPJDCAHJPR-IFMALSPDSA-N 1 0 472.033 4.152 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCCC3)s2)c1 ZINC000504187572 1069108517 /nfs/dbraw/zinc/10/85/17/1069108517.db2.gz GBGZJTZGWDZTFF-OAQYLSRUSA-N 1 0 481.622 4.495 20 0 JIADRO CC[C@@H](CNC(=O)Nc1nnc(Cc2cccc(OC)c2)s1)[N@@H+]1CCc2ccccc2C1 ZINC000504187585 1069108546 /nfs/dbraw/zinc/10/85/46/1069108546.db2.gz GJOVNFBMIAXYSA-FQEVSTJZSA-N 1 0 451.596 4.096 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518636 1069111185 /nfs/dbraw/zinc/11/11/85/1069111185.db2.gz SHIXLMKMWBNOLV-DQEYMECFSA-N 1 0 484.604 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849522263 1069114243 /nfs/dbraw/zinc/11/42/43/1069114243.db2.gz KMYZYUONAFVIFA-UXHICEINSA-N 1 0 452.628 4.050 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300580962 1069116262 /nfs/dbraw/zinc/11/62/62/1069116262.db2.gz WBWLUOXQFPDPSU-WOJBJXKFSA-N 1 0 457.688 4.330 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522791 1069116459 /nfs/dbraw/zinc/11/64/59/1069116459.db2.gz ORVRCIDDXRJXLE-JWQCQUIFSA-N 1 0 472.593 4.099 20 0 JIADRO CCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849523701 1069117476 /nfs/dbraw/zinc/11/74/76/1069117476.db2.gz DVYUIXWLTIUAIB-SFTDATJTSA-N 1 0 453.612 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849525310 1069117963 /nfs/dbraw/zinc/11/79/63/1069117963.db2.gz MQCGZPNHJWJVHI-DLBZAZTESA-N 1 0 481.544 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849525383 1069118009 /nfs/dbraw/zinc/11/80/09/1069118009.db2.gz PMXGCGZCROFZTD-ZEQRLZLVSA-N 1 0 452.599 4.358 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849525311 1069118248 /nfs/dbraw/zinc/11/82/48/1069118248.db2.gz MQCGZPNHJWJVHI-IAGOWNOFSA-N 1 0 481.544 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849526286 1069120045 /nfs/dbraw/zinc/12/00/45/1069120045.db2.gz RJSDIFTWQGSEGC-BJKOFHAPSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849525940 1069123390 /nfs/dbraw/zinc/12/33/90/1069123390.db2.gz PRDIUZXAXRTXKC-ZEQRLZLVSA-N 1 0 466.626 4.324 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)s2)c1 ZINC000504234962 1069154224 /nfs/dbraw/zinc/15/42/24/1069154224.db2.gz GIKGJASQCMCAQP-UHFFFAOYSA-N 1 0 461.538 4.011 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300591791 1069157689 /nfs/dbraw/zinc/15/76/89/1069157689.db2.gz LUJLBSGCDFZKRV-IBGZPJMESA-N 1 0 473.419 4.021 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300594685 1069166800 /nfs/dbraw/zinc/16/68/00/1069166800.db2.gz JOOYKABRAMZAEB-VQTJNVASSA-N 1 0 455.628 4.182 20 0 JIADRO COc1ccccc1CN(c1nnc(C(C)(C)C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001300598657 1069180756 /nfs/dbraw/zinc/18/07/56/1069180756.db2.gz SEBIXRXQBYXUMG-BGYRXZFFSA-N 1 0 455.647 4.253 20 0 JIADRO CN(Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550469 1069189526 /nfs/dbraw/zinc/18/95/26/1069189526.db2.gz XQNPLDOWHAMGAV-GOTSBHOMSA-N 1 0 485.588 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849550960 1069192497 /nfs/dbraw/zinc/19/24/97/1069192497.db2.gz AKMLIPOPTSEZCV-OFAXGOBFSA-N 1 0 469.630 4.458 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552278 1069193188 /nfs/dbraw/zinc/19/31/88/1069193188.db2.gz NGUQXMJWLDINNG-LEWJYISDSA-N 1 0 483.410 4.436 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551693 1069194480 /nfs/dbraw/zinc/19/44/80/1069194480.db2.gz BLMRIVCPHQNOIS-WGGBDISSSA-N 1 0 458.940 4.293 20 0 JIADRO C[NH+](C)CCN(C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CCCC1 ZINC001200658252 1069195731 /nfs/dbraw/zinc/19/57/31/1069195731.db2.gz VBJDDNXCRKQMRK-UHFFFAOYSA-N 1 0 453.303 4.123 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849553045 1069196257 /nfs/dbraw/zinc/19/62/57/1069196257.db2.gz PXKSBMUYXXJWGV-FGZHOGPDSA-N 1 0 481.641 4.412 20 0 JIADRO Cc1sc(CCNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555459 1069198579 /nfs/dbraw/zinc/19/85/79/1069198579.db2.gz YZHXMIDRGDDABG-FCHUYYIVSA-N 1 0 451.640 4.025 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555253 1069199909 /nfs/dbraw/zinc/19/99/09/1069199909.db2.gz QNTNMEIHIISREW-FGZHOGPDSA-N 1 0 462.560 4.493 20 0 JIADRO COc1ccc(-c2csc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849560218 1069209369 /nfs/dbraw/zinc/20/93/69/1069209369.db2.gz ZFBITYLFJFQTPZ-RPWUZVMVSA-N 1 0 452.624 4.288 20 0 JIADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849560670 1069210035 /nfs/dbraw/zinc/21/00/35/1069210035.db2.gz DKADEKVCYKJMCU-NJYVYQBISA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H](c2cnn(C)c2)C1 ZINC000849563117 1069211284 /nfs/dbraw/zinc/21/12/84/1069211284.db2.gz PCEMWRHEHPLASM-QZTJIDSGSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(I)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849563687 1069213383 /nfs/dbraw/zinc/21/33/83/1069213383.db2.gz RUJMQEWGXRGUJV-CVEARBPZSA-N 1 0 486.785 4.131 20 0 JIADRO COc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300610810 1069216686 /nfs/dbraw/zinc/21/66/86/1069216686.db2.gz UCYBXFXFBBCDJA-FYYLOGMGSA-N 1 0 455.647 4.174 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849565951 1069217293 /nfs/dbraw/zinc/21/72/93/1069217293.db2.gz XOOWPSUBCVRJLC-SFTDATJTSA-N 1 0 499.413 4.218 20 0 JIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C3)cs1 ZINC000849571292 1069222283 /nfs/dbraw/zinc/22/22/83/1069222283.db2.gz IEEXVXUWZGKDRK-UXHICEINSA-N 1 0 469.680 4.312 20 0 JIADRO CCc1noc(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571866 1069223932 /nfs/dbraw/zinc/22/39/32/1069223932.db2.gz JBENINGBMIWTDP-MSOLQXFVSA-N 1 0 456.978 4.139 20 0 JIADRO COCCOc1c(Cl)cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849573275 1069223994 /nfs/dbraw/zinc/22/39/94/1069223994.db2.gz RIDORZPBANFKOU-QZTJIDSGSA-N 1 0 469.413 4.205 20 0 JIADRO C[NH+]1CCC(N(C(=S)Nc2cc(F)cc(F)c2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001200668128 1069224538 /nfs/dbraw/zinc/22/45/38/1069224538.db2.gz MVMHTAWPENUVFD-UHFFFAOYSA-N 1 0 468.614 4.457 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849573922 1069225154 /nfs/dbraw/zinc/22/51/54/1069225154.db2.gz VBWBCNMWNZFDHA-SXOMAYOGSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849573938 1069225236 /nfs/dbraw/zinc/22/52/36/1069225236.db2.gz VIJNYDBWINQEQV-SONWIMMPSA-N 1 0 466.029 4.383 20 0 JIADRO CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849575272 1069227102 /nfs/dbraw/zinc/22/71/02/1069227102.db2.gz JTGHUEVCZPAVQE-VQTJNVASSA-N 1 0 493.446 4.051 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576113 1069229246 /nfs/dbraw/zinc/22/92/46/1069229246.db2.gz CLPLRJXGTBXYOI-PMACEKPBSA-N 1 0 469.948 4.139 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581075 1069232436 /nfs/dbraw/zinc/23/24/36/1069232436.db2.gz DQAQXEPQDJTXMI-RPWUZVMVSA-N 1 0 462.594 4.460 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849583342 1069233996 /nfs/dbraw/zinc/23/39/96/1069233996.db2.gz SUSIWWWZBZKNCB-MOPGFXCFSA-N 1 0 467.839 4.309 20 0 JIADRO CC[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000849584121 1069234835 /nfs/dbraw/zinc/23/48/35/1069234835.db2.gz WWHXXQCFNOHSPZ-BHIYHBOVSA-N 1 0 453.414 4.078 20 0 JIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC001200671669 1069235315 /nfs/dbraw/zinc/23/53/15/1069235315.db2.gz FDBLBWDAPUJXIE-UHFFFAOYSA-N 1 0 452.511 4.096 20 0 JIADRO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849588055 1069239525 /nfs/dbraw/zinc/23/95/25/1069239525.db2.gz OXKPIOUFPZAGGW-KAYWLYCHSA-N 1 0 492.620 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849589038 1069240513 /nfs/dbraw/zinc/24/05/13/1069240513.db2.gz UYWIFGXTVKUPFP-QZNHQXDQSA-N 1 0 466.523 4.350 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849587597 1069240539 /nfs/dbraw/zinc/24/05/39/1069240539.db2.gz UZWGQRMPNTYWBU-WOJBJXKFSA-N 1 0 488.474 4.258 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cn1 ZINC000849591462 1069243114 /nfs/dbraw/zinc/24/31/14/1069243114.db2.gz IZJQNNNTQXMUBD-WDYCEAGBSA-N 1 0 468.816 4.164 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849593132 1069244737 /nfs/dbraw/zinc/24/47/37/1069244737.db2.gz SQAIHXCPBWBXRT-FTJBHMTQSA-N 1 0 462.663 4.492 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](c2cnn(C)c2)C1 ZINC000849594349 1069245540 /nfs/dbraw/zinc/24/55/40/1069245540.db2.gz WXXULTGLTZXFNH-RBUKOAKNSA-N 1 0 456.388 4.183 20 0 JIADRO CCOc1cc(Br)c(F)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594312 1069245569 /nfs/dbraw/zinc/24/55/69/1069245569.db2.gz GFYQPLWYEAHPLI-HZPDHXFCSA-N 1 0 467.383 4.173 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300622169 1069246049 /nfs/dbraw/zinc/24/60/49/1069246049.db2.gz RIDUXOFGVIPLSS-JOCHJYFZSA-N 1 0 492.668 4.298 20 0 JIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(-c2ccccc2)cc1Br ZINC001354476580 1069246326 /nfs/dbraw/zinc/24/63/26/1069246326.db2.gz IBTNMQHCRHWKSM-IBGZPJMESA-N 1 0 453.384 4.229 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849596090 1069249371 /nfs/dbraw/zinc/24/93/71/1069249371.db2.gz MVCHGNAMFBGFGT-FTJBHMTQSA-N 1 0 483.620 4.180 20 0 JIADRO Cc1cc(CC(C)(C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000849596878 1069253378 /nfs/dbraw/zinc/25/33/78/1069253378.db2.gz QBVQYYIYXYXVHU-LEWJYISDSA-N 1 0 475.475 4.442 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001200677670 1069254362 /nfs/dbraw/zinc/25/43/62/1069254362.db2.gz AZACHTLBKBVKKH-UHFFFAOYSA-N 1 0 458.628 4.277 20 0 JIADRO O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001300624806 1069255668 /nfs/dbraw/zinc/25/56/68/1069255668.db2.gz QNHWLYBIZAULGL-UHFFFAOYSA-N 1 0 457.014 4.469 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(CC(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300625186 1069256289 /nfs/dbraw/zinc/25/62/89/1069256289.db2.gz DHYNIILWTOKLCC-YADHBBJMSA-N 1 0 455.647 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849599209 1069256399 /nfs/dbraw/zinc/25/63/99/1069256399.db2.gz LSKRCFDQYYGXOC-XZOQPEGZSA-N 1 0 469.630 4.240 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC001200679363 1069260389 /nfs/dbraw/zinc/26/03/89/1069260389.db2.gz WDHOWOVXSAFOEK-FQEVSTJZSA-N 1 0 453.008 4.306 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000849604315 1069261509 /nfs/dbraw/zinc/26/15/09/1069261509.db2.gz CNYQJKQLQAMUAI-RTWAWAEBSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607370 1069263557 /nfs/dbraw/zinc/26/35/57/1069263557.db2.gz VCNGJDVAOUKPDE-UIOOFZCWSA-N 1 0 464.585 4.269 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C[C@H]2CCOC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492576698 1069267345 /nfs/dbraw/zinc/26/73/45/1069267345.db2.gz BHCOAZZNRDFJJP-AOHZBQACSA-N 1 0 453.675 4.408 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000849609803 1069267529 /nfs/dbraw/zinc/26/75/29/1069267529.db2.gz ZDKMHOAGDGCNLV-PMACEKPBSA-N 1 0 474.487 4.131 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC000849613501 1069273953 /nfs/dbraw/zinc/27/39/53/1069273953.db2.gz SNWUMQCKLWUBTQ-UKRRQHHQSA-N 1 0 462.779 4.058 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CCC(F)(F)F)n1CC1CC[NH+](C2CC2)CC1 ZINC001300632524 1069282722 /nfs/dbraw/zinc/28/27/22/1069282722.db2.gz KBFVGIMLYDMPPG-UHFFFAOYSA-N 1 0 467.536 4.129 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300637903 1069296068 /nfs/dbraw/zinc/29/60/68/1069296068.db2.gz DBBKGZPGWCXNMQ-IMSXRSKXSA-N 1 0 499.700 4.483 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300641564 1069308918 /nfs/dbraw/zinc/30/89/18/1069308918.db2.gz UDIHCSNFOOREGQ-SFHVURJKSA-N 1 0 491.514 4.460 20 0 JIADRO FC(F)(F)[C@H]1N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387302 718814383 /nfs/dbraw/zinc/81/43/83/718814383.db2.gz FIFWPLYQXBKDGJ-IBGZPJMESA-N 1 0 451.924 4.157 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164614102 719010681 /nfs/dbraw/zinc/01/06/81/719010681.db2.gz CGTKUUHLSAQCJP-HYBUGGRVSA-N 1 0 490.982 4.491 20 0 JIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629657 719072926 /nfs/dbraw/zinc/07/29/26/719072926.db2.gz YPQFMJKVAZPZST-AZUAARDMSA-N 1 0 476.955 4.343 20 0 JIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629660 719073198 /nfs/dbraw/zinc/07/31/98/719073198.db2.gz YPQFMJKVAZPZST-UYAOXDASSA-N 1 0 476.955 4.343 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1C ZINC001164626798 719097697 /nfs/dbraw/zinc/09/76/97/719097697.db2.gz IWKFZSZQWFHTSM-DHIUTWEWSA-N 1 0 477.678 4.241 20 0 JIADRO C[NH+]1CCN(c2ccc(N3CCC(O[C@H](c4ccc(Cl)cc4)c4ccccn4)CC3)nn2)CC1 ZINC001164620597 719129779 /nfs/dbraw/zinc/12/97/79/719129779.db2.gz IUARYVGCTSXNSH-AREMUKBSSA-N 1 0 479.028 4.052 20 0 JIADRO COc1cc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2cc1OC ZINC001164673985 719510902 /nfs/dbraw/zinc/51/09/02/719510902.db2.gz WYFJSOWVATVHST-UHFFFAOYSA-N 1 0 451.542 4.263 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164682852 719656290 /nfs/dbraw/zinc/65/62/90/719656290.db2.gz TVQNBJSYQVTXSA-SFHVURJKSA-N 1 0 476.999 4.373 20 0 JIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681007 719657379 /nfs/dbraw/zinc/65/73/79/719657379.db2.gz LCCQVMVELLIPSG-GOSISDBHSA-N 1 0 492.014 4.077 20 0 JIADRO Cc1sc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164680652 719659095 /nfs/dbraw/zinc/65/90/95/719659095.db2.gz GXSDVIJHYKHMQY-HXUWFJFHSA-N 1 0 477.678 4.402 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)c4ccccc43)CC2)c2ccccc21 ZINC001164685344 719659492 /nfs/dbraw/zinc/65/94/92/719659492.db2.gz ZGJFGRGYWUCWFI-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164682816 719666804 /nfs/dbraw/zinc/66/68/04/719666804.db2.gz PRSOFYOUKXHIPE-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(OCc4ccccc4)n3)CC2)c2ccccc21 ZINC001164681178 719667733 /nfs/dbraw/zinc/66/77/33/719667733.db2.gz KJXDAUHZNNODBZ-XMMPIXPASA-N 1 0 499.659 4.149 20 0 JIADRO CCc1cc2c(ncnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164680048 719668339 /nfs/dbraw/zinc/66/83/39/719668339.db2.gz BARCVVXDLUAOCU-LJQANCHMSA-N 1 0 477.678 4.347 20 0 JIADRO Cc1cccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164686262 719670445 /nfs/dbraw/zinc/67/04/45/719670445.db2.gz WWSASLOTQWWTHF-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685996 719671002 /nfs/dbraw/zinc/67/10/02/719671002.db2.gz WKFUZDXTGDZHFI-IBGZPJMESA-N 1 0 471.045 4.227 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4[nH]c5ccccc5c43)CC2)c2ccccc21 ZINC001164679978 719671237 /nfs/dbraw/zinc/67/12/37/719671237.db2.gz ACCGLSQWUINQGM-HXUWFJFHSA-N 1 0 482.632 4.205 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(Cl)cccc4n3)CC2)c2ccccc21 ZINC001164680090 719671457 /nfs/dbraw/zinc/67/14/57/719671457.db2.gz BTZQYNQAULQBHN-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4ccc(F)cc4cn3)CC2)c2ccccc21 ZINC001164681037 719678576 /nfs/dbraw/zinc/67/85/76/719678576.db2.gz IWOFSRCXTDTRIT-OAQYLSRUSA-N 1 0 460.597 4.467 20 0 JIADRO CSc1ccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164687380 719681877 /nfs/dbraw/zinc/68/18/77/719681877.db2.gz SGXABPZENRIQDS-FQEVSTJZSA-N 1 0 489.689 4.445 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)CC2 ZINC001164687599 719726896 /nfs/dbraw/zinc/72/68/96/719726896.db2.gz ZKONAZQRQRZYJX-UHFFFAOYSA-N 1 0 467.976 4.270 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccc(Cl)nc3)ccc1C1OCCCO1)CC2 ZINC001164687478 719735413 /nfs/dbraw/zinc/73/54/13/719735413.db2.gz YBGBJWMYRGZSOT-UHFFFAOYSA-N 1 0 485.028 4.018 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CC2 ZINC001164689516 719746841 /nfs/dbraw/zinc/74/68/41/719746841.db2.gz GAPYCFPPCVNPKS-UHFFFAOYSA-N 1 0 466.935 4.267 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2CCN(Cc2ccccc2)C4)CC3)cs1 ZINC001164692611 719807812 /nfs/dbraw/zinc/80/78/12/719807812.db2.gz LHHHRSIWXOUZDL-UHFFFAOYSA-N 1 0 474.678 4.435 20 0 JIADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696627 719896696 /nfs/dbraw/zinc/89/66/96/719896696.db2.gz GJLCGFUVSREYJS-UHFFFAOYSA-N 1 0 487.025 4.393 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164705341 719901620 /nfs/dbraw/zinc/90/16/20/719901620.db2.gz AIKOCNZUVAMXKS-UHFFFAOYSA-N 1 0 450.608 4.475 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164710365 720096786 /nfs/dbraw/zinc/09/67/86/720096786.db2.gz JGBPLFQYKYQYMR-MRXNPFEDSA-N 1 0 472.367 4.231 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1C ZINC001164716030 720116340 /nfs/dbraw/zinc/11/63/40/720116340.db2.gz INIPTYQURXBBRR-FQEVSTJZSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)CC2 ZINC001164719462 720120617 /nfs/dbraw/zinc/12/06/17/720120617.db2.gz XIDASZSFKVMBIA-IBGZPJMESA-N 1 0 498.027 4.203 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164718587 720121360 /nfs/dbraw/zinc/12/13/60/720121360.db2.gz SWYOFXSADMIVGB-QHCPKHFHSA-N 1 0 460.626 4.449 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164716968 720126372 /nfs/dbraw/zinc/12/63/72/720126372.db2.gz MNJUQIYQDMAYCH-IBGZPJMESA-N 1 0 466.960 4.105 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164718654 720126410 /nfs/dbraw/zinc/12/64/10/720126410.db2.gz UKNUOEOORMEFTC-QFIPXVFZSA-N 1 0 462.594 4.155 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164713078 720130906 /nfs/dbraw/zinc/13/09/06/720130906.db2.gz QFNDBVASKQJQAG-QFIPXVFZSA-N 1 0 463.557 4.311 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164712484 720131909 /nfs/dbraw/zinc/13/19/09/720131909.db2.gz MSRBKYFSVLLNPG-RUZDIDTESA-N 1 0 472.637 4.112 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164713053 720135196 /nfs/dbraw/zinc/13/51/96/720135196.db2.gz PPFOHPMLULGQNR-JOCHJYFZSA-N 1 0 476.625 4.332 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164713118 720145343 /nfs/dbraw/zinc/14/53/43/720145343.db2.gz RAUGAZFYFAGPAZ-QHCPKHFHSA-N 1 0 484.604 4.496 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164713873 720154335 /nfs/dbraw/zinc/15/43/35/720154335.db2.gz TXISPUYTCMBBCR-GOSISDBHSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164713566 720154590 /nfs/dbraw/zinc/15/45/90/720154590.db2.gz SBHJKDVSCCVTGK-XMMPIXPASA-N 1 0 461.585 4.494 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164818700 720164319 /nfs/dbraw/zinc/16/43/19/720164319.db2.gz UDCAGZZMQDRIFJ-CJAUYULYSA-N 1 0 458.002 4.250 20 0 JIADRO Cc1ccc(-c2nnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c3ccccc32)cc1C ZINC001164715788 720197233 /nfs/dbraw/zinc/19/72/33/720197233.db2.gz NEZYZHIDJIHPDE-SANMLTNESA-N 1 0 497.647 4.258 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)n2)s1 ZINC001164814041 720239666 /nfs/dbraw/zinc/23/96/66/720239666.db2.gz UCRZTZHZMYGBMV-UHFFFAOYSA-N 1 0 474.634 4.474 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n2)c1 ZINC001164813910 720239796 /nfs/dbraw/zinc/23/97/96/720239796.db2.gz RRCZEHFLQBMDCM-UHFFFAOYSA-N 1 0 484.604 4.113 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CCC2 ZINC001164816747 720248100 /nfs/dbraw/zinc/24/81/00/720248100.db2.gz LXKRKIZKFUULLQ-UHFFFAOYSA-N 1 0 480.003 4.356 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164828474 720328534 /nfs/dbraw/zinc/32/85/34/720328534.db2.gz JTDPLERWVJMFCY-NHCUHLMSSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164825424 720336429 /nfs/dbraw/zinc/33/64/29/720336429.db2.gz DUMGIHVELNMFFN-SXOMAYOGSA-N 1 0 469.633 4.132 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164829195 720339196 /nfs/dbraw/zinc/33/91/96/720339196.db2.gz QWEJKOXQRBIAEH-PMACEKPBSA-N 1 0 499.750 4.345 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827493 720339407 /nfs/dbraw/zinc/33/94/07/720339407.db2.gz MHIOTEOHDLYQNA-YADHBBJMSA-N 1 0 498.741 4.061 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164831195 720340639 /nfs/dbraw/zinc/34/06/39/720340639.db2.gz XZNPYTDXSHSWSG-YADHBBJMSA-N 1 0 489.998 4.253 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831266 720345467 /nfs/dbraw/zinc/34/54/67/720345467.db2.gz YQYWPEQQSHXLQS-IZZNHLLZSA-N 1 0 485.632 4.217 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837332 720556630 /nfs/dbraw/zinc/55/66/30/720556630.db2.gz LTBFDOASEUTVAV-SONWIMMPSA-N 1 0 455.610 4.054 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839688 720564222 /nfs/dbraw/zinc/56/42/22/720564222.db2.gz RKHQQPQWSTZRAV-HFSMHLIXSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842830 720600684 /nfs/dbraw/zinc/60/06/84/720600684.db2.gz VTJKQOHNANZQDB-WRALFONMSA-N 1 0 453.594 4.266 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c(-c5ccccc5)nsc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843550 720609579 /nfs/dbraw/zinc/60/95/79/720609579.db2.gz XXQGASINUZWXBV-PCCBWWKXSA-N 1 0 459.623 4.328 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@@H]21 ZINC001164840152 720639129 /nfs/dbraw/zinc/63/91/29/720639129.db2.gz PDOJPPKSGXHBIX-PUHATCMVSA-N 1 0 467.017 4.283 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841075 720695915 /nfs/dbraw/zinc/69/59/15/720695915.db2.gz HMJMQGNIRPRQNI-IBGZPJMESA-N 1 0 479.955 4.326 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839637 720696020 /nfs/dbraw/zinc/69/60/20/720696020.db2.gz ATYRLJYDHMYFPB-QGZVFWFLSA-N 1 0 479.408 4.220 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840934 720708033 /nfs/dbraw/zinc/70/80/33/720708033.db2.gz SSINWKBZQWEBHU-IBGZPJMESA-N 1 0 479.955 4.326 20 0 JIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843462 720741928 /nfs/dbraw/zinc/74/19/28/720741928.db2.gz KIPUSRBRKKZACE-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164737458 720780021 /nfs/dbraw/zinc/78/00/21/720780021.db2.gz BTODHSZFQGOKBE-PMACEKPBSA-N 1 0 456.575 4.004 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746078 720819496 /nfs/dbraw/zinc/81/94/96/720819496.db2.gz XWLOWVFZDDWIBI-QZNHQXDQSA-N 1 0 471.634 4.329 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746068 720819656 /nfs/dbraw/zinc/81/96/56/720819656.db2.gz XWLOWVFZDDWIBI-FUPPJEDESA-N 1 0 471.634 4.329 20 0 JIADRO 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CCOC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905618 721718228 /nfs/dbraw/zinc/71/82/28/721718228.db2.gz IBTQOILOVAIWSN-NRFANRHFSA-N 1 0 450.917 4.044 20 0 JIADRO COc1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164910800 721724666 /nfs/dbraw/zinc/72/46/66/721724666.db2.gz HUYLETIKQRXOAW-DEOSSOPVSA-N 1 0 451.521 4.285 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164912935 721730388 /nfs/dbraw/zinc/73/03/88/721730388.db2.gz RHXAYDHBVPMJAJ-VWLOTQADSA-N 1 0 481.547 4.294 20 0 JIADRO FC1(F)CCN(c2nc(Cl)cc(-c3ccncc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913074 721736228 /nfs/dbraw/zinc/73/62/28/721736228.db2.gz SCHXRDPUDVBAFP-JOCHJYFZSA-N 1 0 456.928 4.325 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001165010283 721740127 /nfs/dbraw/zinc/74/01/27/721740127.db2.gz LIHXLPLSICZWAK-UHFFFAOYSA-N 1 0 458.606 4.337 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)cc1 ZINC001165009666 721740554 /nfs/dbraw/zinc/74/05/54/721740554.db2.gz HQBNMAUDTYHOEC-UHFFFAOYSA-N 1 0 494.039 4.482 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC001165009388 721744054 /nfs/dbraw/zinc/74/40/54/721744054.db2.gz BZAZVFAFZHXYSA-UHFFFAOYSA-N 1 0 490.677 4.155 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001165012815 721749633 /nfs/dbraw/zinc/74/96/33/721749633.db2.gz OEBWNEIYVSIWJX-UHFFFAOYSA-N 1 0 464.397 4.099 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020726 721810793 /nfs/dbraw/zinc/81/07/93/721810793.db2.gz CTJFCENGZLWNDT-KVSKMBFKSA-N 1 0 464.944 4.198 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019917 721819604 /nfs/dbraw/zinc/81/96/04/721819604.db2.gz CBZFTBAXXRQUDC-NZJKTDFXSA-N 1 0 472.637 4.148 20 0 JIADRO 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C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001165049512 721975314 /nfs/dbraw/zinc/97/53/14/721975314.db2.gz PMRVEJDHRUQOBL-HXUWFJFHSA-N 1 0 469.699 4.247 20 0 JIADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164955687 722021334 /nfs/dbraw/zinc/02/13/34/722021334.db2.gz NFCNQTQIVKNYOB-UHFFFAOYSA-N 1 0 465.985 4.347 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccc(C)nn3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964616 722025406 /nfs/dbraw/zinc/02/54/06/722025406.db2.gz WYUDUTGZRQPALA-RXFWQSSRSA-N 1 0 493.681 4.052 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001164962681 722025472 /nfs/dbraw/zinc/02/54/72/722025472.db2.gz QUMTUFSMEUSQCW-FQRUVTKNSA-N 1 0 495.697 4.298 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2c1C ZINC001164958049 722051172 /nfs/dbraw/zinc/05/11/72/722051172.db2.gz BCVRDDBIXMCMMF-REHUZNOOSA-N 1 0 478.666 4.204 20 0 JIADRO Clc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(Cc2ccccc2)n1 ZINC001164963821 722054874 /nfs/dbraw/zinc/05/48/74/722054874.db2.gz MKCZDXBHTAQTQM-UHFFFAOYSA-N 1 0 464.013 4.235 20 0 JIADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963801 722055141 /nfs/dbraw/zinc/05/51/41/722055141.db2.gz LLSDOXNXRHRZHJ-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc(Cl)c2c1 ZINC001164963994 722055630 /nfs/dbraw/zinc/05/56/30/722055630.db2.gz QNQOPUDXLXWLMN-UHFFFAOYSA-N 1 0 491.945 4.481 20 0 JIADRO Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164964760 722056970 /nfs/dbraw/zinc/05/69/70/722056970.db2.gz XPBNEMPDHFGOOV-UHFFFAOYSA-N 1 0 486.595 4.133 20 0 JIADRO Clc1ccc(OC(Cl)(Cl)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cn1 ZINC001164966955 722062562 /nfs/dbraw/zinc/06/25/62/722062562.db2.gz ZWSLRDUJNQPRGT-UHFFFAOYSA-N 1 0 471.816 4.212 20 0 JIADRO O=C1NCc2ccccc2CC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164968225 722078360 /nfs/dbraw/zinc/07/83/60/722078360.db2.gz WQDSJAASOBUMHL-UHFFFAOYSA-N 1 0 452.602 4.099 20 0 JIADRO c1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983394 722107374 /nfs/dbraw/zinc/10/73/74/722107374.db2.gz PUKLUBOHVXUTFG-FYYLOGMGSA-N 1 0 457.603 4.481 20 0 JIADRO c1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983396 722107643 /nfs/dbraw/zinc/10/76/43/722107643.db2.gz PUKLUBOHVXUTFG-GMAHTHKFSA-N 1 0 457.603 4.481 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981021 722108128 /nfs/dbraw/zinc/10/81/28/722108128.db2.gz SBUHTLXPNBMKPC-NFBKMPQASA-N 1 0 485.966 4.464 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164977369 722114408 /nfs/dbraw/zinc/11/44/08/722114408.db2.gz MTAZDFIJTQXXQM-OXJNMPFZSA-N 1 0 477.918 4.090 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985096 722141091 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CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359539311 1069836216 /nfs/dbraw/zinc/83/62/16/1069836216.db2.gz CDANCUDPVLUELW-OAQYLSRUSA-N 1 0 474.694 4.331 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCCCC[NH+]1CCCC1 ZINC001359540694 1069838220 /nfs/dbraw/zinc/83/82/20/1069838220.db2.gz DOKXTWAKOLRQQO-UHFFFAOYSA-N 1 0 467.584 4.368 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359540802 1069838233 /nfs/dbraw/zinc/83/82/33/1069838233.db2.gz HIDZCKXCSVJWTA-FQEVSTJZSA-N 1 0 495.590 4.015 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1(O)CCCCCC1 ZINC001359540752 1069838285 /nfs/dbraw/zinc/83/82/85/1069838285.db2.gz FYFDDRBIDSHDET-UHFFFAOYSA-N 1 0 489.627 4.043 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359541087 1069838541 /nfs/dbraw/zinc/83/85/41/1069838541.db2.gz PGRGYSILOMWAAJ-MHZLTWQESA-N 1 0 453.675 4.173 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCC2)CC1 ZINC001359546423 1069850404 /nfs/dbraw/zinc/85/04/04/1069850404.db2.gz DUMADWIYGAKSQO-UHFFFAOYSA-N 1 0 494.453 4.320 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001359546885 1069851181 /nfs/dbraw/zinc/85/11/81/1069851181.db2.gz TXYZMNFVXMVCMD-RUZDIDTESA-N 1 0 471.049 4.393 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(F)(F)F)CC1 ZINC001359547045 1069851561 /nfs/dbraw/zinc/85/15/61/1069851561.db2.gz ZLTPSJBOZGFZOG-UHFFFAOYSA-N 1 0 461.536 4.456 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001359547474 1069852919 /nfs/dbraw/zinc/85/29/19/1069852919.db2.gz QTCLHEZCDJINNS-UHFFFAOYSA-N 1 0 460.066 4.386 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001359548082 1069854416 /nfs/dbraw/zinc/85/44/16/1069854416.db2.gz NHRMUDWMEASUCC-UHFFFAOYSA-N 1 0 474.531 4.440 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CCCOCC2CCOCC2)CC1 ZINC001359548503 1069855231 /nfs/dbraw/zinc/85/52/31/1069855231.db2.gz DFSZEKCWLWCUNA-UHFFFAOYSA-N 1 0 461.695 4.155 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCCCCC2)CC1 ZINC001359548662 1069855539 /nfs/dbraw/zinc/85/55/39/1069855539.db2.gz LFSWCYHNNDPSEW-UHFFFAOYSA-N 1 0 457.638 4.404 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001359548610 1069855730 /nfs/dbraw/zinc/85/57/30/1069855730.db2.gz JEOZYIZNISRYKN-LJQANCHMSA-N 1 0 467.536 4.229 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2nccs2)CC1 ZINC001359548743 1069856113 /nfs/dbraw/zinc/85/61/13/1069856113.db2.gz PAVLBZPOOXSSGB-UHFFFAOYSA-N 1 0 493.450 4.466 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccoc2)CC1 ZINC001359548897 1069856466 /nfs/dbraw/zinc/85/64/66/1069856466.db2.gz VCHXOBFMHWHNMV-UHFFFAOYSA-N 1 0 462.367 4.409 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001359549590 1069857550 /nfs/dbraw/zinc/85/75/50/1069857550.db2.gz UROMJLINXHNWTF-FUHWJXTLSA-N 1 0 494.453 4.318 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001359549789 1069857966 /nfs/dbraw/zinc/85/79/66/1069857966.db2.gz BDIDKAYKWTYROS-UHFFFAOYSA-N 1 0 490.986 4.195 20 0 JIADRO CC(C)(C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359551095 1069860620 /nfs/dbraw/zinc/86/06/20/1069860620.db2.gz ZUENXYNLSGUUGC-UHFFFAOYSA-N 1 0 473.065 4.358 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCSCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359558099 1069877386 /nfs/dbraw/zinc/87/73/86/1069877386.db2.gz XPZOAVGUHIXZED-NRFANRHFSA-N 1 0 492.734 4.212 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001359567026 1069906409 /nfs/dbraw/zinc/90/64/09/1069906409.db2.gz GNXGDPLUQPYXNO-NRFANRHFSA-N 1 0 496.700 4.375 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359579910 1069999975 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/nfs/dbraw/zinc/01/79/01/1070017901.db2.gz LUTAUXNVEUAXFT-GOSISDBHSA-N 1 0 498.068 4.016 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359589416 1070026138 /nfs/dbraw/zinc/02/61/38/1070026138.db2.gz KTCUGLARBZIWJJ-UKUSAAQASA-N 1 0 479.735 4.159 20 0 JIADRO CC(C)(Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001359594707 1070042550 /nfs/dbraw/zinc/04/25/50/1070042550.db2.gz LLIUQCUTUKIJBF-QFIPXVFZSA-N 1 0 468.568 4.067 20 0 JIADRO CC(C)(Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001359597795 1070052573 /nfs/dbraw/zinc/05/25/73/1070052573.db2.gz DHJTZHXMLVCUFX-NRFANRHFSA-N 1 0 472.722 4.436 20 0 JIADRO CC(C)(O)CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359601708 1070060359 /nfs/dbraw/zinc/06/03/59/1070060359.db2.gz GQFXKHMBAFRZCE-HSZRJFAPSA-N 1 0 469.674 4.153 20 0 JIADRO CC(C)(O)CCn1c(CCOc2ccccc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359601647 1070060379 /nfs/dbraw/zinc/06/03/79/1070060379.db2.gz DNKIIROAJFTMMY-UHFFFAOYSA-N 1 0 469.674 4.153 20 0 JIADRO CC(C)(O)CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359601709 1070060578 /nfs/dbraw/zinc/06/05/78/1070060578.db2.gz GQFXKHMBAFRZCE-QHCPKHFHSA-N 1 0 469.674 4.153 20 0 JIADRO CC(C)=CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359607722 1070070852 /nfs/dbraw/zinc/07/08/52/1070070852.db2.gz YVJZMAMEERVESN-UHFFFAOYSA-N 1 0 485.698 4.407 20 0 JIADRO CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359609543 1070072344 /nfs/dbraw/zinc/07/23/44/1070072344.db2.gz ICDVUIBLSRCDGS-WWNPGLIZSA-N 1 0 450.631 4.075 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001359614153 1070080806 /nfs/dbraw/zinc/08/08/06/1070080806.db2.gz UOMJJNNVETXHDE-XMMPIXPASA-N 1 0 480.701 4.181 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359624854 1070112134 /nfs/dbraw/zinc/11/21/34/1070112134.db2.gz NKWTXHSAYURFDF-QHCPKHFHSA-N 1 0 496.059 4.037 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001359626609 1070121211 /nfs/dbraw/zinc/12/12/11/1070121211.db2.gz QFIQIWFEUJQSEA-SFTDATJTSA-N 1 0 486.730 4.463 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001359626991 1070124548 /nfs/dbraw/zinc/12/45/48/1070124548.db2.gz AORZXRMUDCLDLR-KNQAVFIVSA-N 1 0 499.059 4.483 20 0 JIADRO CC(C)C(=O)NCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359639199 1070173262 /nfs/dbraw/zinc/17/32/62/1070173262.db2.gz VIXDFKXZTVVZKJ-UHFFFAOYSA-N 1 0 475.062 4.116 20 0 JIADRO CC(C)C(=O)NCCn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359643123 1070178945 /nfs/dbraw/zinc/17/89/45/1070178945.db2.gz PPTRLXBQZBKLAN-UHFFFAOYSA-N 1 0 480.701 4.079 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359655965 1070229977 /nfs/dbraw/zinc/22/99/77/1070229977.db2.gz HBJRAVSLELIURF-NHCUHLMSSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359656460 1070235581 /nfs/dbraw/zinc/23/55/81/1070235581.db2.gz PZCJOHAGRXWTSG-AUSIDOKSSA-N 1 0 497.713 4.025 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359656598 1070236911 /nfs/dbraw/zinc/23/69/11/1070236911.db2.gz SBBJCKGMJQKUPJ-PXDATVDWSA-N 1 0 489.668 4.020 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001359657600 1070247961 /nfs/dbraw/zinc/24/79/61/1070247961.db2.gz KGLTYRVBYGVWOB-QMMLZNLJSA-N 1 0 476.463 4.035 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001359659293 1070265316 /nfs/dbraw/zinc/26/53/16/1070265316.db2.gz UHSKVJIJRJDXCC-AMGIVPHBSA-N 1 0 466.674 4.065 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CCOC(C)(C)C)[NH+]1CCOCC1 ZINC001359659478 1070266402 /nfs/dbraw/zinc/26/64/02/1070266402.db2.gz XCOUMEWLTVAPJX-HSZRJFAPSA-N 1 0 480.657 4.101 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359660566 1070272129 /nfs/dbraw/zinc/27/21/29/1070272129.db2.gz SAUDWLXMWJPJJY-INIZCTEOSA-N 1 0 493.500 4.120 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001359660659 1070272715 /nfs/dbraw/zinc/27/27/15/1070272715.db2.gz UJXJUKQSEWJVEO-WIOPSUGQSA-N 1 0 489.668 4.116 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC001359660688 1070272826 /nfs/dbraw/zinc/27/28/26/1070272826.db2.gz VIJYFOXSHPPNNI-NRFANRHFSA-N 1 0 494.537 4.424 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCCC1 ZINC001359662675 1070285425 /nfs/dbraw/zinc/28/54/25/1070285425.db2.gz DSDFABKVQDJRST-SFHVURJKSA-N 1 0 476.607 4.010 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCC1 ZINC001359664300 1070290738 /nfs/dbraw/zinc/29/07/38/1070290738.db2.gz CKHQEWMVUOAPOK-JOCHJYFZSA-N 1 0 454.022 4.069 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359665314 1070295391 /nfs/dbraw/zinc/29/53/91/1070295391.db2.gz XDASGHWPAFAKOG-MISYRCLQSA-N 1 0 450.553 4.019 20 0 JIADRO CC(C)c1csc([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001359669506 1070310763 /nfs/dbraw/zinc/31/07/63/1070310763.db2.gz NOPGPPFKBZOOJY-FQEVSTJZSA-N 1 0 487.718 4.208 20 0 JIADRO CC(C)c1csc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1 ZINC001359670443 1070313322 /nfs/dbraw/zinc/31/33/22/1070313322.db2.gz RQIWJQIEIVQXBT-SFHVURJKSA-N 1 0 460.692 4.184 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001359673019 1070321376 /nfs/dbraw/zinc/32/13/76/1070321376.db2.gz MKQZQBSDSFWCDT-UHFFFAOYSA-N 1 0 489.466 4.173 20 0 JIADRO CC(C)c1nc(CCn2c(Cc3ccncc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cs1 ZINC001359673307 1070322260 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XDKBTEZFIWNBAM-NRFANRHFSA-N 1 0 455.647 4.191 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001315523909 1064495796 /nfs/dbraw/zinc/49/57/96/1064495796.db2.gz FGAGDEKCQCRFDB-UHFFFAOYSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001315526366 1064502361 /nfs/dbraw/zinc/50/23/61/1064502361.db2.gz YYWLSXKSKIVHAM-QFIPXVFZSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cccs3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001315527276 1064504024 /nfs/dbraw/zinc/50/40/24/1064504024.db2.gz RGIFCYHXTHZANE-UHFFFAOYSA-N 1 0 487.695 4.391 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315528727 1064508869 /nfs/dbraw/zinc/50/88/69/1064508869.db2.gz MHCVFQWSXTYABW-FGZHOGPDSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCC[C@@H](SC)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001315530180 1064513476 /nfs/dbraw/zinc/51/34/76/1064513476.db2.gz CQGRIONKCVGCSI-NFBKMPQASA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001315532897 1064520386 /nfs/dbraw/zinc/52/03/86/1064520386.db2.gz CUJNOTCUTCEAEI-NHCUHLMSSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001315534703 1064523203 /nfs/dbraw/zinc/52/32/03/1064523203.db2.gz UXAZJHOEZWKRHL-UHFFFAOYSA-N 1 0 490.446 4.229 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CC[C@H](CC(C)C)C2)[NH+](C)C)c1 ZINC001315545654 1064551102 /nfs/dbraw/zinc/55/11/02/1064551102.db2.gz BRDOVFPJMZUWDT-HYBUGGRVSA-N 1 0 450.631 4.468 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@@H](C)c2nccs2)[NH+](C)C)c1 ZINC001315546145 1064553462 /nfs/dbraw/zinc/55/34/62/1064553462.db2.gz GAFAHRWRSQOWLP-UTKZUKDTSA-N 1 0 465.627 4.281 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](SC)C(C)(C)C)CC2)c1 ZINC001315546412 1064553966 /nfs/dbraw/zinc/55/39/66/1064553966.db2.gz UTGHRFABBDZMNL-XXBNENTESA-N 1 0 497.713 4.348 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CCCC[C@@H](SC)C2)[NH+](C)C)c1 ZINC001315547527 1064556872 /nfs/dbraw/zinc/55/68/72/1064556872.db2.gz QRMLZRJBVSVUIA-GGAORHGYSA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CCCC[C@@H](SC)C2)[NH+](C)C)c1 ZINC001315547526 1064557240 /nfs/dbraw/zinc/55/72/40/1064557240.db2.gz QRMLZRJBVSVUIA-FYYLOGMGSA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)OC2CCCC2)[NH+](C)C)c1 ZINC001315548237 1064559091 /nfs/dbraw/zinc/55/90/91/1064559091.db2.gz YEWCJFRZRHICFI-HSZRJFAPSA-N 1 0 450.587 4.270 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315548991 1064562658 /nfs/dbraw/zinc/56/26/58/1064562658.db2.gz CUPFYMQMSMAJQD-LJQANCHMSA-N 1 0 465.646 4.205 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315549911 1064565460 /nfs/dbraw/zinc/56/54/60/1064565460.db2.gz UPWNNIWFVFZXGQ-IBGZPJMESA-N 1 0 493.578 4.319 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001315549846 1064565757 /nfs/dbraw/zinc/56/57/57/1064565757.db2.gz SLVAHEZBUODBSU-DQEYMECFSA-N 1 0 492.668 4.359 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001315555699 1064574625 /nfs/dbraw/zinc/57/46/25/1064574625.db2.gz DJBXIIQBKIBAQC-FQEVSTJZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315555889 1064575021 /nfs/dbraw/zinc/57/50/21/1064575021.db2.gz MZWHLFCXFQRURT-PKTZIBPZSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001315558513 1064581030 /nfs/dbraw/zinc/58/10/30/1064581030.db2.gz XQMQLRIYJZTDQY-HXUWFJFHSA-N 1 0 486.661 4.035 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558628 1064581565 /nfs/dbraw/zinc/58/15/65/1064581565.db2.gz CNYWEVPFMOHXQC-UNMCSNQZSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001315559149 1064583580 /nfs/dbraw/zinc/58/35/80/1064583580.db2.gz GESVLPIVRDZUEC-JOCHJYFZSA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315559818 1064584625 /nfs/dbraw/zinc/58/46/25/1064584625.db2.gz XCRCPCOGVYRGPZ-QFIPXVFZSA-N 1 0 496.700 4.349 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)c2c(C)noc2C)c1 ZINC001315562040 1064588522 /nfs/dbraw/zinc/58/85/22/1064588522.db2.gz FJLZERYDOIHXMN-GOSISDBHSA-N 1 0 452.603 4.283 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H]3CSC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315562628 1064589398 /nfs/dbraw/zinc/58/93/98/1064589398.db2.gz KBWATPCAETUZFA-SVFBPWRDSA-N 1 0 473.687 4.173 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315563530 1064591608 /nfs/dbraw/zinc/59/16/08/1064591608.db2.gz BYTZHALCKIDTNM-SFTDATJTSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001315566771 1064599534 /nfs/dbraw/zinc/59/95/34/1064599534.db2.gz IMAJDFSBJLOYJT-NZQKXSOJSA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315567195 1064599925 /nfs/dbraw/zinc/59/99/25/1064599925.db2.gz OEUWTRGDZVTYQZ-HFZDXXHNSA-N 1 0 467.614 4.491 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315567932 1064601602 /nfs/dbraw/zinc/60/16/02/1064601602.db2.gz VNIHNINQMAPASH-XLIONFOSSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001315568695 1064604199 /nfs/dbraw/zinc/60/41/99/1064604199.db2.gz ADIIRSUNXUXKPH-ZTCOLXNVSA-N 1 0 496.700 4.114 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001315570245 1064612361 /nfs/dbraw/zinc/61/23/61/1064612361.db2.gz IJZNXEYUFPEUJJ-WQJYWUQFSA-N 1 0 498.672 4.349 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)c1 ZINC001315573771 1064625359 /nfs/dbraw/zinc/62/53/59/1064625359.db2.gz SKNBYCOFTWJICY-ZFGGDYGUSA-N 1 0 499.700 4.341 20 0 JIADRO COc1cccc(CCn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001315575921 1064632152 /nfs/dbraw/zinc/63/21/52/1064632152.db2.gz RNFJSPXBAUEDGU-SZPZYZBQSA-N 1 0 469.674 4.054 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315577388 1064636952 /nfs/dbraw/zinc/63/69/52/1064636952.db2.gz AISTVLDECXPWSH-OAQYLSRUSA-N 1 0 462.642 4.419 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001315586403 1064665962 /nfs/dbraw/zinc/66/59/62/1064665962.db2.gz ZYSYOKSJNZFBMF-VXKWHMMOSA-N 1 0 498.716 4.090 20 0 JIADRO COc1cccc(Cl)c1Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315587092 1064667565 /nfs/dbraw/zinc/66/75/65/1064667565.db2.gz GCPTYAWYFVIISK-UHFFFAOYSA-N 1 0 455.006 4.279 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[NH+](C(C)C)C(C)C ZINC001315593064 1064686646 /nfs/dbraw/zinc/68/66/46/1064686646.db2.gz ZHTWHFUEMMTJCE-UHFFFAOYSA-N 1 0 493.578 4.461 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315595893 1064695620 /nfs/dbraw/zinc/69/56/20/1064695620.db2.gz JPJBLJLCGUDMHC-RZUBCFFCSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001315600046 1064706432 /nfs/dbraw/zinc/70/64/32/1064706432.db2.gz XLXAHKVSKJWESL-FQRUVTKNSA-N 1 0 455.647 4.061 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315600415 1064708230 /nfs/dbraw/zinc/70/82/30/1064708230.db2.gz YDDNMHKCTJSBCO-UHFFFAOYSA-N 1 0 496.700 4.301 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001315600817 1064708595 /nfs/dbraw/zinc/70/85/95/1064708595.db2.gz QRSOMYBJLAZNPJ-UHFFFAOYSA-N 1 0 467.536 4.335 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001315602475 1064712281 /nfs/dbraw/zinc/71/22/81/1064712281.db2.gz YTWMZGRGOIUCJY-AQNXPRMDSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001315605041 1064718399 /nfs/dbraw/zinc/71/83/99/1064718399.db2.gz RVDQXAYLGNJGBO-OAQYLSRUSA-N 1 0 498.672 4.133 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001315607623 1064725196 /nfs/dbraw/zinc/72/51/96/1064725196.db2.gz ROACWACWNTWERL-UHFFFAOYSA-N 1 0 490.439 4.298 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315608937 1064728116 /nfs/dbraw/zinc/72/81/16/1064728116.db2.gz ZDEBETNSDOQUGV-RXVVDRJESA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315609871 1064728918 /nfs/dbraw/zinc/72/89/18/1064728918.db2.gz QXQWUXHRPGWKLV-QFIPXVFZSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315610106 1064729228 /nfs/dbraw/zinc/72/92/28/1064729228.db2.gz UQBMZTXLADDXET-JOCHJYFZSA-N 1 0 497.644 4.157 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315612497 1064734505 /nfs/dbraw/zinc/73/45/05/1064734505.db2.gz IULMKUUDPCGMBC-RTWAWAEBSA-N 1 0 450.631 4.262 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315613034 1064735891 /nfs/dbraw/zinc/73/58/91/1064735891.db2.gz MTKGISZIFUBOGH-YKSBVNFPSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001315615377 1064741196 /nfs/dbraw/zinc/74/11/96/1064741196.db2.gz YLWNMIBLOCBNEN-NRFANRHFSA-N 1 0 469.674 4.105 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CC[NH+]1CCC(C)CC1 ZINC001315618080 1064748848 /nfs/dbraw/zinc/74/88/48/1064748848.db2.gz IGCBKTFRKAEDCN-UHFFFAOYSA-N 1 0 453.656 4.350 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315618671 1064750032 /nfs/dbraw/zinc/75/00/32/1064750032.db2.gz OZAIGLJIKKBBKP-SFTDATJTSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315619378 1064751975 /nfs/dbraw/zinc/75/19/75/1064751975.db2.gz UCSSHHDRYTVQCL-OAQYLSRUSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315620398 1064754056 /nfs/dbraw/zinc/75/40/56/1064754056.db2.gz LDOWLMUISACNMV-IZVMNLJQSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315623151 1064760692 /nfs/dbraw/zinc/76/06/92/1064760692.db2.gz VNSFBUCFROLDCD-QHCPKHFHSA-N 1 0 497.631 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCCC1 ZINC001315624451 1064764034 /nfs/dbraw/zinc/76/40/34/1064764034.db2.gz HLVZAOZWNCFTSY-IBGZPJMESA-N 1 0 451.537 4.142 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315626765 1064770973 /nfs/dbraw/zinc/77/09/73/1064770973.db2.gz WQDPGPQUNSFDRT-SZPZYZBQSA-N 1 0 499.700 4.159 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001315627039 1064772014 /nfs/dbraw/zinc/77/20/14/1064772014.db2.gz YDKZQAHNRSLIRL-UHFFFAOYSA-N 1 0 478.641 4.075 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315628061 1064774199 /nfs/dbraw/zinc/77/41/99/1064774199.db2.gz SHJGZRQAVLUENN-RLWLMLJZSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2C(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001315629121 1064776993 /nfs/dbraw/zinc/77/69/93/1064776993.db2.gz XEWVSLCLCXAUEA-OAQYLSRUSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001315630314 1064780610 /nfs/dbraw/zinc/78/06/10/1064780610.db2.gz YRRVGGSYBPYDIW-MHZLTWQESA-N 1 0 469.674 4.129 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001315632423 1064785726 /nfs/dbraw/zinc/78/57/26/1064785726.db2.gz SDQYCTCPDCZMKI-QFIPXVFZSA-N 1 0 495.590 4.157 20 0 JIADRO COc1ccccc1CCn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001315636767 1064794660 /nfs/dbraw/zinc/79/46/60/1064794660.db2.gz QJKLOAVRYCIBGE-MUUNZHRXSA-N 1 0 499.700 4.128 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315639131 1064799213 /nfs/dbraw/zinc/79/92/13/1064799213.db2.gz KMZXHNBOGRBMKK-PZJWPPBQSA-N 1 0 455.628 4.182 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315642992 1064808427 /nfs/dbraw/zinc/80/84/27/1064808427.db2.gz KBPSACWUZBAZGK-FGZHOGPDSA-N 1 0 468.690 4.027 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315645821 1064814933 /nfs/dbraw/zinc/81/49/33/1064814933.db2.gz AXOHRBWWTSIALF-HXUWFJFHSA-N 1 0 464.614 4.031 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001315650460 1064828717 /nfs/dbraw/zinc/82/87/17/1064828717.db2.gz QEZRPCNPPJBVAE-SFTDATJTSA-N 1 0 455.647 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H](C)[NH+](C)C ZINC001315653266 1064838235 /nfs/dbraw/zinc/83/82/35/1064838235.db2.gz HACHZYYGYUBQEH-SFHVURJKSA-N 1 0 455.628 4.261 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315658289 1064851770 /nfs/dbraw/zinc/85/17/70/1064851770.db2.gz MEQCYWKGDDGTDX-PKOBYXMFSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315662984 1064867961 /nfs/dbraw/zinc/86/79/61/1064867961.db2.gz DTKROBMVELUCEY-HBMCJLEFSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ncccc1C ZINC001315663771 1064871522 /nfs/dbraw/zinc/87/15/22/1064871522.db2.gz LHRSXNVCVBGGFN-UHFFFAOYSA-N 1 0 466.655 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1ccncc1 ZINC001315665248 1064878352 /nfs/dbraw/zinc/87/83/52/1064878352.db2.gz ZBNAZJAHYHDMKN-UHFFFAOYSA-N 1 0 466.655 4.184 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315665883 1064880241 /nfs/dbraw/zinc/88/02/41/1064880241.db2.gz UBTAZECEHQYJMH-SFTDATJTSA-N 1 0 486.730 4.087 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315666904 1064885285 /nfs/dbraw/zinc/88/52/85/1064885285.db2.gz AIPRIFJEPNKWDV-FHAGJXEFSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001315667310 1064886127 /nfs/dbraw/zinc/88/61/27/1064886127.db2.gz CPGIWVYLHBYAKK-IBGZPJMESA-N 1 0 461.701 4.397 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001315667412 1064887053 /nfs/dbraw/zinc/88/70/53/1064887053.db2.gz ZHYQTLPEKVUNJG-DEOSSOPVSA-N 1 0 487.695 4.079 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315668496 1064892129 /nfs/dbraw/zinc/89/21/29/1064892129.db2.gz OEOLKHXOVKHLHE-NJYVYQBISA-N 1 0 473.687 4.172 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315688087 1064940311 /nfs/dbraw/zinc/94/03/11/1064940311.db2.gz BSLZEMFRMVCVEX-DENIHFKCSA-N 1 0 462.038 4.246 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315693688 1064951803 /nfs/dbraw/zinc/95/18/03/1064951803.db2.gz RBEBAIGOTXHDRH-CNNODRBYSA-N 1 0 462.038 4.419 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315693690 1064951965 /nfs/dbraw/zinc/95/19/65/1064951965.db2.gz RBEBAIGOTXHDRH-NNMXDRDESA-N 1 0 462.038 4.419 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001315703663 1064968200 /nfs/dbraw/zinc/96/82/00/1064968200.db2.gz DKAXMSSYZIUHDO-UHFFFAOYSA-N 1 0 476.065 4.027 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001315703799 1064969516 /nfs/dbraw/zinc/96/95/16/1064969516.db2.gz LXASIRFAQXVMHD-UHFFFAOYSA-N 1 0 465.564 4.455 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001315703935 1064969577 /nfs/dbraw/zinc/96/95/77/1064969577.db2.gz HICMWMNUFPCMQS-QHCPKHFHSA-N 1 0 499.700 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)CC1 ZINC001315704000 1064969587 /nfs/dbraw/zinc/96/95/87/1064969587.db2.gz DOJOIDAXWVLEQS-QGZVFWFLSA-N 1 0 481.563 4.292 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001315703873 1064969643 /nfs/dbraw/zinc/96/96/43/1064969643.db2.gz NFLADYCAPMFISG-INIZCTEOSA-N 1 0 468.067 4.023 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001315704920 1064972966 /nfs/dbraw/zinc/97/29/66/1064972966.db2.gz KPNITEGIVHGRRX-IBGZPJMESA-N 1 0 492.064 4.015 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(C)C)CC1 ZINC001315705271 1064974334 /nfs/dbraw/zinc/97/43/34/1064974334.db2.gz MXAXEWUJJMQWQU-UHFFFAOYSA-N 1 0 467.456 4.017 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315706595 1064978186 /nfs/dbraw/zinc/97/81/86/1064978186.db2.gz WDBGRFCVUHSWOM-LADGPHEKSA-N 1 0 455.647 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001315707967 1064982684 /nfs/dbraw/zinc/98/26/84/1064982684.db2.gz AYWRLFBZTYCWAS-JOCHJYFZSA-N 1 0 492.064 4.188 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001315708651 1064983951 /nfs/dbraw/zinc/98/39/51/1064983951.db2.gz DEIOHBBDCFUNPR-DHIUTWEWSA-N 1 0 482.673 4.129 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315708950 1064984302 /nfs/dbraw/zinc/98/43/02/1064984302.db2.gz YWFWFDIJDVQAGN-DXBBTUNJSA-N 1 0 461.695 4.322 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC[C@H]1C ZINC001315712936 1064996261 /nfs/dbraw/zinc/99/62/61/1064996261.db2.gz MDJPNYVWQRSQIX-AEFFLSMTSA-N 1 0 478.062 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC[C@H]1C ZINC001315712938 1064996370 /nfs/dbraw/zinc/99/63/70/1064996370.db2.gz MDJPNYVWQRSQIX-SJLPKXTDSA-N 1 0 478.062 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC[C@@H]1C ZINC001315713671 1064999719 /nfs/dbraw/zinc/99/97/19/1064999719.db2.gz CGRBNFIQKZTZAJ-ORYQWCPZSA-N 1 0 476.463 4.217 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)C[NH+](C)C)CC[C@H]1C ZINC001315717353 1065008296 /nfs/dbraw/zinc/00/82/96/1065008296.db2.gz VFCDSVXJMIKJOC-UNWVZKJWSA-N 1 0 457.663 4.484 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001315718340 1065011520 /nfs/dbraw/zinc/01/15/20/1065011520.db2.gz YJYXQEQCPCSMCG-FNFLUXIASA-N 1 0 499.700 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1(C)C ZINC001315719019 1065012804 /nfs/dbraw/zinc/01/28/04/1065012804.db2.gz ZGFZBKLJZVJHKQ-UMXIMWEHSA-N 1 0 499.700 4.397 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001315728431 1065024706 /nfs/dbraw/zinc/02/47/06/1065024706.db2.gz HCHQKWKRMRRJEU-ZJSXRUAMSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[C@H]1C ZINC001315730268 1065027188 /nfs/dbraw/zinc/02/71/88/1065027188.db2.gz SMPACBMUUWRLFA-PQNGQFLHSA-N 1 0 462.642 4.255 20 0 JIADRO CO[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)CC[C@@H]1C ZINC001315730342 1065027879 /nfs/dbraw/zinc/02/78/79/1065027879.db2.gz HBXQGFZUIWRSDU-GMAHTHKFSA-N 1 0 471.715 4.142 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+](C(C)C)C(C)C)CC1(C)C ZINC001315732965 1065031578 /nfs/dbraw/zinc/03/15/78/1065031578.db2.gz DVGLXYFVZLAJAH-QHCPKHFHSA-N 1 0 457.663 4.454 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001315735285 1065036279 /nfs/dbraw/zinc/03/62/79/1065036279.db2.gz LHLCZAZFMTZIFN-LADGPHEKSA-N 1 0 455.647 4.211 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001315738215 1065043187 /nfs/dbraw/zinc/04/31/87/1065043187.db2.gz XHYUKFZSVLWMTB-CQOQZXRMSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315740485 1065047954 /nfs/dbraw/zinc/04/79/54/1065047954.db2.gz YQFBVNDYNFFJAX-RBZQAINGSA-N 1 0 469.674 4.019 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315741144 1065049104 /nfs/dbraw/zinc/04/91/04/1065049104.db2.gz HWGATGAPMDTMEE-IVAOSVALSA-N 1 0 475.703 4.422 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315742651 1065052275 /nfs/dbraw/zinc/05/22/75/1065052275.db2.gz QGALJSKCIKEDTA-UGKGYDQZSA-N 1 0 476.065 4.494 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001315745134 1065054829 /nfs/dbraw/zinc/05/48/29/1065054829.db2.gz WLOCQIQKSYFGFK-JOCHJYFZSA-N 1 0 459.610 4.122 20 0 JIADRO COCC(C)(C)CCCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001315762069 1065075087 /nfs/dbraw/zinc/07/50/87/1065075087.db2.gz ZRYWKCSTTFULHA-FGZHOGPDSA-N 1 0 455.647 4.291 20 0 JIADRO COC[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001315791709 1065133132 /nfs/dbraw/zinc/13/31/32/1065133132.db2.gz DTBRANMRRGPFGO-HXUWFJFHSA-N 1 0 455.647 4.112 20 0 JIADRO COC[C@@H](F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315822776 1065174742 /nfs/dbraw/zinc/17/47/42/1065174742.db2.gz BSLCXIKVKQSMDR-KRWDZBQOSA-N 1 0 474.408 4.069 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001315829793 1065190734 /nfs/dbraw/zinc/19/07/34/1065190734.db2.gz JJAJGJIZHGJMPG-UHFFFAOYSA-N 1 0 479.094 4.074 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001315832808 1065200109 /nfs/dbraw/zinc/20/01/09/1065200109.db2.gz KVGMKDLTNWGTOK-JOCHJYFZSA-N 1 0 462.642 4.037 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315834134 1065206208 /nfs/dbraw/zinc/20/62/08/1065206208.db2.gz QIDMYRYWFXZHEG-HSZRJFAPSA-N 1 0 473.637 4.370 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315860762 1065270086 /nfs/dbraw/zinc/27/00/86/1065270086.db2.gz FGCSDGYUFPFLLG-FQEVSTJZSA-N 1 0 483.657 4.256 20 0 JIADRO COCC1=CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001315866953 1065285145 /nfs/dbraw/zinc/28/51/45/1065285145.db2.gz RRZFYRDHQSYWLW-JOCHJYFZSA-N 1 0 452.990 4.079 20 0 JIADRO COCC1=CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001315869327 1065290448 /nfs/dbraw/zinc/29/04/48/1065290448.db2.gz FDPKVYHUGXANIU-NRFANRHFSA-N 1 0 462.063 4.347 20 0 JIADRO COCC1=CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315869740 1065292282 /nfs/dbraw/zinc/29/22/82/1065292282.db2.gz UJEAXLFAYORDBU-WXVAWEFUSA-N 1 0 467.658 4.459 20 0 JIADRO COCC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001315871380 1065297285 /nfs/dbraw/zinc/29/72/85/1065297285.db2.gz WBIDLQCTHKOIQT-DNQXCXABSA-N 1 0 485.648 4.251 20 0 JIADRO COCc1nocc1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315873662 1065302426 /nfs/dbraw/zinc/30/24/26/1065302426.db2.gz FHOQIIPQSOCHKG-JOCHJYFZSA-N 1 0 466.630 4.150 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315878823 1065312875 /nfs/dbraw/zinc/31/28/75/1065312875.db2.gz JVTDHSMXOOHGAS-DNVJHFABSA-N 1 0 456.679 4.295 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001315880323 1065316666 /nfs/dbraw/zinc/31/66/66/1065316666.db2.gz AHFQYYGSCCGFII-OAQYLSRUSA-N 1 0 485.673 4.480 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315881567 1065320458 /nfs/dbraw/zinc/32/04/58/1065320458.db2.gz QQRSDLLCKJSIFT-VWNXMTODSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315884446 1065329039 /nfs/dbraw/zinc/32/90/39/1065329039.db2.gz YLKAQYHCMFNCTH-JYFHCDHNSA-N 1 0 471.715 4.144 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315886929 1065336301 /nfs/dbraw/zinc/33/63/01/1065336301.db2.gz UMMZCSZDTFSJAY-FGZHOGPDSA-N 1 0 485.673 4.480 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315887934 1065339905 /nfs/dbraw/zinc/33/99/05/1065339905.db2.gz NTOYQUHXTPHJDE-LEWJYISDSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315894219 1065358579 /nfs/dbraw/zinc/35/85/79/1065358579.db2.gz KGURMUBZCOICNN-BHIFYINESA-N 1 0 457.638 4.239 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001315899811 1065370600 /nfs/dbraw/zinc/37/06/00/1065370600.db2.gz QOQMMMLRUBTZHD-DHIUTWEWSA-N 1 0 455.647 4.069 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001315900800 1065373055 /nfs/dbraw/zinc/37/30/55/1065373055.db2.gz DVLGSFKPWXKFFV-GZGNHOFSSA-N 1 0 499.700 4.048 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCCC2)C1 ZINC001315901139 1065374948 /nfs/dbraw/zinc/37/49/48/1065374948.db2.gz MLILSFXFVVUCMP-YADHBBJMSA-N 1 0 490.693 4.089 20 0 JIADRO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315901681 1065376556 /nfs/dbraw/zinc/37/65/56/1065376556.db2.gz DZBQDJLGVMICIG-DENIHFKCSA-N 1 0 482.673 4.130 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315901901 1065377780 /nfs/dbraw/zinc/37/77/80/1065377780.db2.gz RAXSAYAEGQDDDE-VWNXMTODSA-N 1 0 455.647 4.149 20 0 JIADRO COCC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315902819 1065380271 /nfs/dbraw/zinc/38/02/71/1065380271.db2.gz OSIHYYKISOXQPZ-DEOSSOPVSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315903388 1065382385 /nfs/dbraw/zinc/38/23/85/1065382385.db2.gz CCFUAJTUXDNSBU-MSOLQXFVSA-N 1 0 479.467 4.021 20 0 JIADRO COC[C@H]1CCCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCCCCC2)C1 ZINC001315904044 1065385283 /nfs/dbraw/zinc/38/52/83/1065385283.db2.gz YCXUFUGCINBSQT-NRFANRHFSA-N 1 0 473.687 4.318 20 0 JIADRO COCC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001315904790 1065386309 /nfs/dbraw/zinc/38/63/09/1065386309.db2.gz HESDQZKOFUHIKV-CQSZACIVSA-N 1 0 470.843 4.174 20 0 JIADRO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001315906793 1065392149 /nfs/dbraw/zinc/39/21/49/1065392149.db2.gz PLUUWAOPWVUTTP-HSALFYBXSA-N 1 0 462.038 4.276 20 0 JIADRO COC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315906992 1065392650 /nfs/dbraw/zinc/39/26/50/1065392650.db2.gz SPLMIIRALWADNY-CEXWTWQISA-N 1 0 476.463 4.301 20 0 JIADRO COCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001315908598 1065397393 /nfs/dbraw/zinc/39/73/93/1065397393.db2.gz CQFXRVDQCBPCHT-QFIPXVFZSA-N 1 0 469.033 4.468 20 0 JIADRO COCC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001315912372 1065407607 /nfs/dbraw/zinc/40/76/07/1065407607.db2.gz VKTBBGTWNUEEFR-NRFANRHFSA-N 1 0 452.647 4.276 20 0 JIADRO COCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315921932 1065429853 /nfs/dbraw/zinc/42/98/53/1065429853.db2.gz RCASMNFAUAUUMB-OHUMZHCVSA-N 1 0 461.695 4.180 20 0 JIADRO COC[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315923255 1065433659 /nfs/dbraw/zinc/43/36/59/1065433659.db2.gz TWNHORXBCMXBSX-QFIPXVFZSA-N 1 0 455.647 4.211 20 0 JIADRO 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AISMSPZVUKLEJF-OAQYLSRUSA-N 1 0 498.741 4.183 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC[NH+](C)CC1 ZINC001316406897 1066189851 /nfs/dbraw/zinc/18/98/51/1066189851.db2.gz IEILLMNYKYSKRM-QZTJIDSGSA-N 1 0 463.692 4.166 20 0 JIADRO CSC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC001316406647 1066189894 /nfs/dbraw/zinc/18/98/94/1066189894.db2.gz URSBUSCIZDXWQY-GOSISDBHSA-N 1 0 482.069 4.428 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC001316408213 1066192115 /nfs/dbraw/zinc/19/21/15/1066192115.db2.gz PZZNTTJUJLCGHX-UHFFFAOYSA-N 1 0 471.715 4.144 20 0 JIADRO CSC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)CC[NH+](C)CC1 ZINC001316408400 1066192805 /nfs/dbraw/zinc/19/28/05/1066192805.db2.gz KLYRDVYMWDECHS-GOSISDBHSA-N 1 0 456.685 4.350 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC[NH+](C)CC1 ZINC001316409783 1066195977 /nfs/dbraw/zinc/19/59/77/1066195977.db2.gz ICQBUMJNHNIJGQ-UXHICEINSA-N 1 0 475.728 4.323 20 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NC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(c3nc4ccccc4o3)CC1)CCCC2 ZINC001325229482 1066241375 /nfs/dbraw/zinc/24/13/75/1066241375.db2.gz UZNJVHUUQZFNQM-UHFFFAOYSA-N 1 0 452.580 4.075 20 0 JIADRO O=C(COC(=O)c1nc(-c2ccccc2)oc1C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001325260653 1066242711 /nfs/dbraw/zinc/24/27/11/1066242711.db2.gz DPCRZEWGGJCOQO-UHFFFAOYSA-N 1 0 459.546 4.288 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCC[C@H]1C ZINC001316426163 1066244766 /nfs/dbraw/zinc/24/47/66/1066244766.db2.gz VXQZUNBNVRYJEX-GOSISDBHSA-N 1 0 484.695 4.112 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316426321 1066245712 /nfs/dbraw/zinc/24/57/12/1066245712.db2.gz YGLFEFREYSSDEL-RXFWQSSRSA-N 1 0 484.714 4.269 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316426533 1066247031 /nfs/dbraw/zinc/24/70/31/1066247031.db2.gz JCZNBZJFZJSOJX-OALUTQOASA-N 1 0 464.079 4.289 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426537 1066247320 /nfs/dbraw/zinc/24/73/20/1066247320.db2.gz JDNSBNZEZUHPNF-OAQYLSRUSA-N 1 0 454.619 4.333 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001316428464 1066255633 /nfs/dbraw/zinc/25/56/33/1066255633.db2.gz PBXUUNFMRJACRD-QFIPXVFZSA-N 1 0 491.149 4.270 20 0 JIADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001316428780 1066257533 /nfs/dbraw/zinc/25/75/33/1066257533.db2.gz AKSCCZRAOFGYJZ-PMACEKPBSA-N 1 0 480.723 4.412 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001316429355 1066260009 /nfs/dbraw/zinc/26/00/09/1066260009.db2.gz XUQBNQBYHYFLCP-DNQXCXABSA-N 1 0 471.715 4.142 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001316429356 1066260128 /nfs/dbraw/zinc/26/01/28/1066260128.db2.gz XUQBNQBYHYFLCP-RPWUZVMVSA-N 1 0 471.715 4.142 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001325684750 1066261492 /nfs/dbraw/zinc/26/14/92/1066261492.db2.gz OERHCRWCWHWBQX-UHFFFAOYSA-N 1 0 476.602 4.074 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001316431020 1066268444 /nfs/dbraw/zinc/26/84/44/1066268444.db2.gz RNDQOTGGPBHCQI-WPFOTENUSA-N 1 0 487.714 4.387 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316433358 1066278335 /nfs/dbraw/zinc/27/83/35/1066278335.db2.gz OZAOFTVUQXAXDG-PMVMPFDFSA-N 1 0 484.714 4.049 20 0 JIADRO COc1ccc([C@H](NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC001326128131 1066285292 /nfs/dbraw/zinc/28/52/92/1066285292.db2.gz DDCWKYOKBHHDNC-HHHXNRCGSA-N 1 0 476.596 4.171 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492500606 1066288173 /nfs/dbraw/zinc/28/81/73/1066288173.db2.gz KQSVLBKBNNLKJW-SFHVURJKSA-N 1 0 471.053 4.184 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492501230 1066292998 /nfs/dbraw/zinc/29/29/98/1066292998.db2.gz HCCPGTKICKVCCB-NMRUTFGKSA-N 1 0 494.709 4.154 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCCc3ccccc3)n2CC[NH+]2CCSCC2)n1 ZINC001492503124 1066312952 /nfs/dbraw/zinc/31/29/52/1066312952.db2.gz VZINKOKDDFQKBH-UHFFFAOYSA-N 1 0 450.656 4.156 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001316446434 1066317960 /nfs/dbraw/zinc/31/79/60/1066317960.db2.gz UETGREQYQAGUDS-YADARESESA-N 1 0 485.727 4.146 20 0 JIADRO COc1ccc(C2([NH2+]CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)CCOCC2)cc1 ZINC001327864441 1066319604 /nfs/dbraw/zinc/31/96/04/1066319604.db2.gz LTQHEYHLJZVHFA-UHFFFAOYSA-N 1 0 463.603 4.312 20 0 JIADRO Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492505072 1066322693 /nfs/dbraw/zinc/32/26/93/1066322693.db2.gz RGKALXFRGCENRJ-GOTSBHOMSA-N 1 0 490.696 4.446 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316448781 1066324941 /nfs/dbraw/zinc/32/49/41/1066324941.db2.gz QXFRKHQHWXPTLY-WWNPGLIZSA-N 1 0 457.688 4.415 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316450395 1066328904 /nfs/dbraw/zinc/32/89/04/1066328904.db2.gz MCGWFABZQUYSTC-IBGZPJMESA-N 1 0 480.122 4.335 20 0 JIADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@H](Oc4ccnc(C[N@H+](C)CC)c4)C3)cc2s1 ZINC001328858501 1066330392 /nfs/dbraw/zinc/33/03/92/1066330392.db2.gz RRYGKYGMCMHAPS-SFHVURJKSA-N 1 0 473.668 4.344 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001492507959 1066331849 /nfs/dbraw/zinc/33/18/49/1066331849.db2.gz DRICGQKFRWOEAE-BVSLBCMMSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492508204 1066333039 /nfs/dbraw/zinc/33/30/39/1066333039.db2.gz KVYKUIASQJOYKH-FQEVSTJZSA-N 1 0 497.688 4.264 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316452657 1066334615 /nfs/dbraw/zinc/33/46/15/1066334615.db2.gz XNARPFAIMQJDGA-RTWAWAEBSA-N 1 0 469.703 4.215 20 0 JIADRO CSCCCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316453410 1066338298 /nfs/dbraw/zinc/33/82/98/1066338298.db2.gz GSCAADHLFYRWGK-OYRHEFFESA-N 1 0 474.719 4.143 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492510198 1066340303 /nfs/dbraw/zinc/34/03/03/1066340303.db2.gz JYSMPKMIICTIEF-QFIPXVFZSA-N 1 0 497.688 4.359 20 0 JIADRO COc1ccc2c(c1)c(C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)c(C)n2C1CC1 ZINC001329555472 1066340966 /nfs/dbraw/zinc/34/09/66/1066340966.db2.gz UPBDBEZDHJGSKN-UHFFFAOYSA-N 1 0 482.669 4.380 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492510640 1066341616 /nfs/dbraw/zinc/34/16/16/1066341616.db2.gz YKIZCYWEZGKJAN-HXUWFJFHSA-N 1 0 483.661 4.016 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492511192 1066344612 /nfs/dbraw/zinc/34/46/12/1066344612.db2.gz QOGAXKUDRAIABN-XPNTWCBSSA-N 1 0 454.663 4.268 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492511328 1066344883 /nfs/dbraw/zinc/34/48/83/1066344883.db2.gz VEKUOXNTMLRIHJ-SFTDATJTSA-N 1 0 484.689 4.320 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@](C)(O)c2ccsc2)n1 ZINC001492511863 1066347340 /nfs/dbraw/zinc/34/73/40/1066347340.db2.gz MNZFZJDGVSSYJG-VWLOTQADSA-N 1 0 468.671 4.174 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492512010 1066348936 /nfs/dbraw/zinc/34/89/36/1066348936.db2.gz SMTYAGUOCDITNS-UHFFFAOYSA-N 1 0 499.704 4.462 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492512431 1066351091 /nfs/dbraw/zinc/35/10/91/1066351091.db2.gz ZESYZDAWDIVPBB-UHFFFAOYSA-N 1 0 485.677 4.072 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316459028 1066351301 /nfs/dbraw/zinc/35/13/01/1066351301.db2.gz HSOGMBQLBWOQMI-UHFFFAOYSA-N 1 0 485.702 4.161 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514521 1066355943 /nfs/dbraw/zinc/35/59/43/1066355943.db2.gz SAWSVJCJFUQJRC-YADHBBJMSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514517 1066356009 /nfs/dbraw/zinc/35/60/09/1066356009.db2.gz SAWSVJCJFUQJRC-FGZHOGPDSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001492514922 1066356970 /nfs/dbraw/zinc/35/69/70/1066356970.db2.gz WVILAAZOTONKSJ-NZQKXSOJSA-N 1 0 495.697 4.002 20 0 JIADRO CSCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001316461867 1066358638 /nfs/dbraw/zinc/35/86/38/1066358638.db2.gz GOAGPNPMYQYUBK-QHCPKHFHSA-N 1 0 456.704 4.355 20 0 JIADRO Cc1ccc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1 ZINC001475369073 1066358945 /nfs/dbraw/zinc/35/89/45/1066358945.db2.gz QKYWHIQQMHZFOO-LOSJGSFVSA-N 1 0 470.038 4.174 20 0 JIADRO CSCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316463886 1066362071 /nfs/dbraw/zinc/36/20/71/1066362071.db2.gz XRVNYCRWARCSFJ-QHCPKHFHSA-N 1 0 498.741 4.129 20 0 JIADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492516044 1066364169 /nfs/dbraw/zinc/36/41/69/1066364169.db2.gz NWVSFKFIMBTIQH-LJQANCHMSA-N 1 0 493.622 4.233 20 0 JIADRO CCc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3)cs2)cc1 ZINC001332021550 1066368907 /nfs/dbraw/zinc/36/89/07/1066368907.db2.gz SKGNXKSZGJKIRP-UHFFFAOYSA-N 1 0 478.618 4.310 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001492519641 1066383156 /nfs/dbraw/zinc/38/31/56/1066383156.db2.gz SFNPYXCTNQZOMZ-HXUWFJFHSA-N 1 0 485.677 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC2CC(C)(C)C2)n1 ZINC001492519828 1066383870 /nfs/dbraw/zinc/38/38/70/1066383870.db2.gz XRNSMSCNVOIYHH-UHFFFAOYSA-N 1 0 480.579 4.176 20 0 JIADRO CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316475284 1066385606 /nfs/dbraw/zinc/38/56/06/1066385606.db2.gz WQKCFVLQNGCPQS-HDICACEKSA-N 1 0 479.094 4.072 20 0 JIADRO Cc1cccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001492520861 1066388175 /nfs/dbraw/zinc/38/81/75/1066388175.db2.gz WVMHRNSFLDFYRY-AVRDEDQJSA-N 1 0 452.578 4.094 20 0 JIADRO CSCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316477644 1066389716 /nfs/dbraw/zinc/38/97/16/1066389716.db2.gz PNUQNTOSVGYFTJ-LJQANCHMSA-N 1 0 480.723 4.113 20 0 JIADRO CSCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316478782 1066391669 /nfs/dbraw/zinc/39/16/69/1066391669.db2.gz IJCJGMFOMQDQMU-UHFFFAOYSA-N 1 0 482.492 4.340 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)C2)ccn1 ZINC001334604136 1066396968 /nfs/dbraw/zinc/39/69/68/1066396968.db2.gz UDDMZUVMVAWJFL-DEOSSOPVSA-N 1 0 477.609 4.319 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC001492524843 1066399139 /nfs/dbraw/zinc/39/91/39/1066399139.db2.gz ZOFZUBNADQQNHR-JOCHJYFZSA-N 1 0 465.642 4.354 20 0 JIADRO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316496347 1066445161 /nfs/dbraw/zinc/44/51/61/1066445161.db2.gz YVURYDBMZBCUMQ-SIKLNZKXSA-N 1 0 485.677 4.229 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001337046323 1066455680 /nfs/dbraw/zinc/45/56/80/1066455680.db2.gz BLSCTIGCQAATEH-UHFFFAOYSA-N 1 0 454.578 4.101 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)C1(F)F ZINC001316500702 1066460085 /nfs/dbraw/zinc/46/00/85/1066460085.db2.gz LEOAMDBZGFGZOH-JKSBSHDWSA-N 1 0 467.605 4.173 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1N1CC[NH+](C)CC1 ZINC001337310437 1066472938 /nfs/dbraw/zinc/47/29/38/1066472938.db2.gz QNQVTQMZYTZXCV-QFIPXVFZSA-N 1 0 475.420 4.297 20 0 JIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC001337323441 1066474193 /nfs/dbraw/zinc/47/41/93/1066474193.db2.gz RITKHFJAGYNZIU-UHFFFAOYSA-N 1 0 488.510 4.407 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001337338445 1066474937 /nfs/dbraw/zinc/47/49/37/1066474937.db2.gz HWBDUGDOCOREEJ-UHFFFAOYSA-N 1 0 453.539 4.475 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCCC[NH+]2CCN(C)CC2)cc1 ZINC001337377618 1066477464 /nfs/dbraw/zinc/47/74/64/1066477464.db2.gz UZMITYZNIFAQCW-UHFFFAOYSA-N 1 0 466.029 4.259 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC001316505177 1066478021 /nfs/dbraw/zinc/47/80/21/1066478021.db2.gz UNDCILXGMIEFPW-NSHGMRRFSA-N 1 0 473.584 4.188 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001316507349 1066483769 /nfs/dbraw/zinc/48/37/69/1066483769.db2.gz KMUXAVTZVCUORV-FXAWDEMLSA-N 1 0 474.005 4.410 20 0 JIADRO FC(F)(F)SCCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316516975 1066515947 /nfs/dbraw/zinc/51/59/47/1066515947.db2.gz IZZPTFLKVNTHEU-UHFFFAOYSA-N 1 0 468.574 4.019 20 0 JIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001337901779 1066518800 /nfs/dbraw/zinc/51/88/00/1066518800.db2.gz OJRQNFGMBYFVFA-UHFFFAOYSA-N 1 0 489.458 4.314 20 0 JIADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001338004318 1066524326 /nfs/dbraw/zinc/52/43/26/1066524326.db2.gz OURUWIMMNSGPAH-RDGATRHJSA-N 1 0 452.986 4.021 20 0 JIADRO Fc1ccc(Cc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)cc1 ZINC001316524139 1066535588 /nfs/dbraw/zinc/53/55/88/1066535588.db2.gz WGVZLSIQSGKNDZ-SFHVURJKSA-N 1 0 457.541 4.326 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC(F)(F)Br ZINC001316525447 1066539317 /nfs/dbraw/zinc/53/93/17/1066539317.db2.gz AQTLEZAANRDGQO-UHFFFAOYSA-N 1 0 486.380 4.450 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCSC(F)(F)F ZINC001316526411 1066542000 /nfs/dbraw/zinc/54/20/00/1066542000.db2.gz JIZORZFLWDGTBU-MRXNPFEDSA-N 1 0 473.540 4.314 20 0 JIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1 ZINC001338428335 1066553726 /nfs/dbraw/zinc/55/37/26/1066553726.db2.gz CJBKWYMNKGWYFY-UHFFFAOYSA-N 1 0 455.562 4.168 20 0 JIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC001338413031 1066553833 /nfs/dbraw/zinc/55/38/33/1066553833.db2.gz OUTOEUWVYBGYMA-UHFFFAOYSA-N 1 0 468.605 4.474 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C4CCC4)n3CCSCC(F)(F)F)CC2)c1 ZINC001492534801 1066582130 /nfs/dbraw/zinc/58/21/30/1066582130.db2.gz OIYMFFXLJOCJDD-UHFFFAOYSA-N 1 0 453.578 4.472 20 0 JIADRO COc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC ZINC001341867138 1066590396 /nfs/dbraw/zinc/59/03/96/1066590396.db2.gz CRVHMCOAUMNOOO-UHFFFAOYSA-N 1 0 452.382 4.474 20 0 JIADRO O=S1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001316578389 1066594108 /nfs/dbraw/zinc/59/41/08/1066594108.db2.gz ABOFVKLUXROKRL-UHFFFAOYSA-N 1 0 464.079 4.214 20 0 JIADRO OC1CC[NH+](CCCn2c(CCCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001316584904 1066605101 /nfs/dbraw/zinc/60/51/01/1066605101.db2.gz LADKQHZLFCDKPO-UHFFFAOYSA-N 1 0 479.591 4.079 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC3CCOCC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001492539985 1066627287 /nfs/dbraw/zinc/62/72/87/1066627287.db2.gz QKUMAXVKKLWVSG-JOCHJYFZSA-N 1 0 455.647 4.293 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001492540619 1066636356 /nfs/dbraw/zinc/63/63/56/1066636356.db2.gz USURSLLTXCOTBF-YADHBBJMSA-N 1 0 455.647 4.434 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492541141 1066643492 /nfs/dbraw/zinc/64/34/92/1066643492.db2.gz FGRAWXUAMFBRIQ-QHCPKHFHSA-N 1 0 479.673 4.259 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492541235 1066644320 /nfs/dbraw/zinc/64/43/20/1066644320.db2.gz DVUPMQKWMHWOAR-PZJWPPBQSA-N 1 0 453.587 4.065 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541565 1066649061 /nfs/dbraw/zinc/64/90/61/1066649061.db2.gz HERMDCXXHYVNEO-ISKFKSNPSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492542183 1066654796 /nfs/dbraw/zinc/65/47/96/1066654796.db2.gz LCRGSWGPXWZEGN-TZIWHRDSSA-N 1 0 495.590 4.444 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(C)nc2)c1 ZINC001492543129 1066663857 /nfs/dbraw/zinc/66/38/57/1066663857.db2.gz AVINLCLWJKSIOO-UHFFFAOYSA-N 1 0 462.642 4.474 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001492543332 1066667379 /nfs/dbraw/zinc/66/73/79/1066667379.db2.gz IIAFCQSBVUABNU-HXUWFJFHSA-N 1 0 498.672 4.142 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CO)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492543422 1066668097 /nfs/dbraw/zinc/66/80/97/1066668097.db2.gz LHONBBPXYHZIKX-ZRZAMGCNSA-N 1 0 469.674 4.132 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001492543859 1066676052 /nfs/dbraw/zinc/67/60/52/1066676052.db2.gz ZVVUIHWYDYBOEE-UPVQGACJSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001492544061 1066678683 /nfs/dbraw/zinc/67/86/83/1066678683.db2.gz FTKMLPOEDPRKSX-SFTDATJTSA-N 1 0 495.590 4.181 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001492544058 1066679058 /nfs/dbraw/zinc/67/90/58/1066679058.db2.gz FTKMLPOEDPRKSX-LEWJYISDSA-N 1 0 495.590 4.181 20 0 JIADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC001317780302 1066683989 /nfs/dbraw/zinc/68/39/89/1066683989.db2.gz SNIFTJKEHQSHGK-UHFFFAOYSA-N 1 0 482.675 4.152 20 0 JIADRO COC(=O)c1cc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc(C(=O)OC)c1 ZINC001347762063 1066694464 /nfs/dbraw/zinc/69/44/64/1066694464.db2.gz DRUONXAZRIARFG-FGZHOGPDSA-N 1 0 479.554 4.143 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1Cl ZINC001317828580 1066714147 /nfs/dbraw/zinc/71/41/47/1066714147.db2.gz BRPJCGXFAAMTGI-QGZVFWFLSA-N 1 0 459.056 4.147 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001348049254 1066716246 /nfs/dbraw/zinc/71/62/46/1066716246.db2.gz UNXDHTUPGFMHBN-UHFFFAOYSA-N 1 0 457.500 4.263 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001348171249 1066725320 /nfs/dbraw/zinc/72/53/20/1066725320.db2.gz MIDDZCHZNIFPGT-KRWDZBQOSA-N 1 0 453.974 4.023 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[NH+]1CCCC1 ZINC001317849173 1066731300 /nfs/dbraw/zinc/73/13/00/1066731300.db2.gz PDDROTPOWSTEPG-AOYPEHQESA-N 1 0 473.621 4.454 20 0 JIADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001317857178 1066735711 /nfs/dbraw/zinc/73/57/11/1066735711.db2.gz WUMDRFVUMVAUDV-UHFFFAOYSA-N 1 0 478.618 4.429 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001317883034 1066752782 /nfs/dbraw/zinc/75/27/82/1066752782.db2.gz IWUJFTFUYFQDGJ-VWLOTQADSA-N 1 0 458.610 4.191 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001492546082 1066768714 /nfs/dbraw/zinc/76/87/14/1066768714.db2.gz OXUXBKYLHOQEHU-LVXARBLLSA-N 1 0 455.647 4.027 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)[NH+]1CCCCC1 ZINC001317903704 1066772763 /nfs/dbraw/zinc/77/27/63/1066772763.db2.gz OHESNWRBMGBWIL-HSZRJFAPSA-N 1 0 450.583 4.070 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001317915130 1066783779 /nfs/dbraw/zinc/78/37/79/1066783779.db2.gz WKYUFWITFKAWCF-NRFANRHFSA-N 1 0 488.632 4.279 20 0 JIADRO O[C@H](C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)COc1cccc(Br)c1 ZINC001348968023 1066794580 /nfs/dbraw/zinc/79/45/80/1066794580.db2.gz VYYAZBRKXKESRP-KNQAVFIVSA-N 1 0 456.384 4.101 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2cc(N3CCOC3=O)ccc2F)[NH+]2CCCCC2)cc1 ZINC001317968042 1066820481 /nfs/dbraw/zinc/82/04/81/1066820481.db2.gz DOMWECJIPJRVSV-JOCHJYFZSA-N 1 0 456.518 4.140 20 0 JIADRO CN(C)c1cc[n+](C(C(=O)c2cccs2)C(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001317982020 1066830345 /nfs/dbraw/zinc/83/03/45/1066830345.db2.gz BRQVJZIWNDQGNL-UHFFFAOYSA-O 1 0 462.523 4.226 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC001349391448 1066836963 /nfs/dbraw/zinc/83/69/63/1066836963.db2.gz HPGMNNWZSDMRKU-UHFFFAOYSA-N 1 0 450.509 4.276 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001318008163 1066849094 /nfs/dbraw/zinc/84/90/94/1066849094.db2.gz BJNLQLZEABWBLD-UHFFFAOYSA-N 1 0 453.612 4.231 20 0 JIADRO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nnn1Cc1ccc(F)cc1 ZINC001349561695 1066854370 /nfs/dbraw/zinc/85/43/70/1066854370.db2.gz LNVCCVLVMOKQTA-NRFANRHFSA-N 1 0 455.603 4.292 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(Br)cc2Cl)ccc1N1CC[NH+](C)CC1 ZINC001318019328 1066855581 /nfs/dbraw/zinc/85/55/81/1066855581.db2.gz MDGXJSDHLTUXBU-UHFFFAOYSA-N 1 0 451.796 4.484 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492546928 1066856049 /nfs/dbraw/zinc/85/60/49/1066856049.db2.gz IITNRSJNWDXLRX-FGZHOGPDSA-N 1 0 498.672 4.095 20 0 JIADRO CN(CCc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001349605575 1066860602 /nfs/dbraw/zinc/86/06/02/1066860602.db2.gz ZPZGSJBXIBVPAT-UHFFFAOYSA-N 1 0 451.611 4.490 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2cccc3c2CC(=O)CC3)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001349630713 1066862282 /nfs/dbraw/zinc/86/22/82/1066862282.db2.gz IZROUPLKJMJDDF-UHFFFAOYSA-N 1 0 454.592 4.394 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC001318044535 1066868489 /nfs/dbraw/zinc/86/84/89/1066868489.db2.gz GHHCWGUXCICMJD-DEOSSOPVSA-N 1 0 457.018 4.454 20 0 JIADRO Cc1ccc([C@H](CNC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)[NH+]2CCCC2)cc1 ZINC001318062172 1066879572 /nfs/dbraw/zinc/87/95/72/1066879572.db2.gz OBLSCWIYQUAVGU-KNKQGSTJSA-N 1 0 457.644 4.019 20 0 JIADRO O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318074239 1066885930 /nfs/dbraw/zinc/88/59/30/1066885930.db2.gz KPUZHQCDXFOFTI-IBGZPJMESA-N 1 0 469.561 4.001 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC001349861786 1066888689 /nfs/dbraw/zinc/88/86/89/1066888689.db2.gz FJXIPYVVDCVHFE-IBGZPJMESA-N 1 0 455.002 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)CC1 ZINC001349862696 1066888704 /nfs/dbraw/zinc/88/87/04/1066888704.db2.gz MUTIVONSWQXMMM-UHFFFAOYSA-N 1 0 453.974 4.237 20 0 JIADRO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C2=O ZINC001349930487 1066897806 /nfs/dbraw/zinc/89/78/06/1066897806.db2.gz IMNYDMRUDGQABP-OALUTQOASA-N 1 0 454.615 4.136 20 0 JIADRO COc1ccc2c(c1)c(C(=O)Nc1ccc(CC[NH+]3CCC(C(N)=O)CC3)cc1)c(C)n2C1CC1 ZINC001318130599 1066914582 /nfs/dbraw/zinc/91/45/82/1066914582.db2.gz KRZARLLDHXKKSK-UHFFFAOYSA-N 1 0 474.605 4.285 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001318140902 1066920208 /nfs/dbraw/zinc/92/02/08/1066920208.db2.gz JCCGGVMVDJAKGC-AWEZNQCLSA-N 1 0 450.366 4.413 20 0 JIADRO COc1cccc(OCCC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001350123490 1066921008 /nfs/dbraw/zinc/92/10/08/1066921008.db2.gz MEZXPQVBJIIPOB-UHFFFAOYSA-N 1 0 459.590 4.421 20 0 JIADRO CC[C@@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)c1ccccc1OC(F)F ZINC001350131900 1066921558 /nfs/dbraw/zinc/92/15/58/1066921558.db2.gz JOVFUIDZAZDRFN-LJQANCHMSA-N 1 0 455.509 4.046 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C)c(Cl)c1C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001350139698 1066923105 /nfs/dbraw/zinc/92/31/05/1066923105.db2.gz DHYNIGCAMASTSF-UHFFFAOYSA-N 1 0 453.008 4.190 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001350140227 1066923150 /nfs/dbraw/zinc/92/31/50/1066923150.db2.gz UESOQPVMYAWQPC-UONOGXRCSA-N 1 0 450.601 4.002 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)cc2)CC1 ZINC001350192220 1066929406 /nfs/dbraw/zinc/92/94/06/1066929406.db2.gz UUVBVTAHDOLROR-UHFFFAOYSA-N 1 0 459.381 4.027 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC001318176770 1066940572 /nfs/dbraw/zinc/94/05/72/1066940572.db2.gz SIOUIFANWIFKQB-HSZRJFAPSA-N 1 0 477.653 4.230 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC001318176771 1066940706 /nfs/dbraw/zinc/94/07/06/1066940706.db2.gz SIOUIFANWIFKQB-QHCPKHFHSA-N 1 0 477.653 4.230 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001350389230 1066951324 /nfs/dbraw/zinc/95/13/24/1066951324.db2.gz OSBNPLVEIGXWFF-OALUTQOASA-N 1 0 459.612 4.178 20 0 JIADRO O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318203336 1066956091 /nfs/dbraw/zinc/95/60/91/1066956091.db2.gz RICSLCPGMDNDLH-HSZRJFAPSA-N 1 0 488.554 4.228 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC001318208836 1066959651 /nfs/dbraw/zinc/95/96/51/1066959651.db2.gz UBZZDQFFDSVKJO-UHFFFAOYSA-N 1 0 458.566 4.212 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001318217513 1066965994 /nfs/dbraw/zinc/96/59/94/1066965994.db2.gz VWFIMWCCCUOPIK-UHFFFAOYSA-N 1 0 472.614 4.204 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(I)ccc2Br)CC1 ZINC001318220370 1066967908 /nfs/dbraw/zinc/96/79/08/1066967908.db2.gz GJWDUNHOOOKPHW-UHFFFAOYSA-N 1 0 480.188 4.392 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOc3cc(Cl)ccc3Cl)cc2)C1 ZINC001318236086 1066976408 /nfs/dbraw/zinc/97/64/08/1066976408.db2.gz BIUFZMJJMYOFDR-MRXNPFEDSA-N 1 0 450.366 4.098 20 0 JIADRO COc1ccccc1C1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCC1 ZINC001318254087 1066985596 /nfs/dbraw/zinc/98/55/96/1066985596.db2.gz WWHFWQOREVFHRA-UHFFFAOYSA-N 1 0 456.590 4.473 20 0 JIADRO Cc1cc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318260124 1066988141 /nfs/dbraw/zinc/98/81/41/1066988141.db2.gz ZBAHSGQTXFIHSB-DEOSSOPVSA-N 1 0 482.028 4.380 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)NCc4ccccc4N4CC[NH+](C)CC4)CC3)c2c1 ZINC001318261688 1066989291 /nfs/dbraw/zinc/98/92/91/1066989291.db2.gz DHJVCJPNODQLQI-UHFFFAOYSA-N 1 0 461.610 4.018 20 0 JIADRO CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c12 ZINC001318262464 1066989811 /nfs/dbraw/zinc/98/98/11/1066989811.db2.gz PXDWFGBALZSAQX-UHFFFAOYSA-N 1 0 459.550 4.117 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 ZINC001318262744 1066990231 /nfs/dbraw/zinc/99/02/31/1066990231.db2.gz PASNXOSRENWDDK-UHFFFAOYSA-N 1 0 456.896 4.355 20 0 JIADRO COc1ccc(C(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC001318270806 1066994771 /nfs/dbraw/zinc/99/47/71/1066994771.db2.gz SJSAABKLBQMSGG-HHHXNRCGSA-N 1 0 488.632 4.081 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)CCc3ncc(-c4ccccc4Br)o3)c2)CC1 ZINC001318278510 1066998569 /nfs/dbraw/zinc/99/85/69/1066998569.db2.gz KDLGOPZYJZXRPG-UHFFFAOYSA-N 1 0 497.437 4.101 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC001318289689 1067004352 /nfs/dbraw/zinc/00/43/52/1067004352.db2.gz JWYAKSJTZQGWQU-VWLOTQADSA-N 1 0 486.595 4.168 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC001318317218 1067014390 /nfs/dbraw/zinc/01/43/90/1067014390.db2.gz VZZPDMWRPGCFID-UHFFFAOYSA-N 1 0 484.394 4.303 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC001318325715 1067018671 /nfs/dbraw/zinc/01/86/71/1067018671.db2.gz IVOMLLAKTXIVFM-UHFFFAOYSA-N 1 0 455.606 4.323 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC001350928986 1067022213 /nfs/dbraw/zinc/02/22/13/1067022213.db2.gz VTXDDJAFYRWNIS-ZJSXRUAMSA-N 1 0 457.640 4.204 20 0 JIADRO COc1cc(C[NH2+]CCN2C(=O)COc3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC001318339912 1067023508 /nfs/dbraw/zinc/02/35/08/1067023508.db2.gz ALBHGZOJOWJGRR-UHFFFAOYSA-N 1 0 452.938 4.443 20 0 JIADRO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(I)c1 ZINC001354662739 1067027892 /nfs/dbraw/zinc/02/78/92/1067027892.db2.gz UHISSFGGDUIAFO-UHFFFAOYSA-N 1 0 450.320 4.041 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001300686376 1067029095 /nfs/dbraw/zinc/02/90/95/1067029095.db2.gz FQHCPLAUYDPOQJ-IXDOHACOSA-N 1 0 453.603 4.257 20 0 JIADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]Cc3ccc(OCc4ccc(Cl)cc4)cc3)ccc2N1 ZINC001318367962 1067032969 /nfs/dbraw/zinc/03/29/69/1067032969.db2.gz OTXZOUULDAYVJA-JOCHJYFZSA-N 1 0 466.965 4.333 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1 ZINC001318386045 1067035771 /nfs/dbraw/zinc/03/57/71/1067035771.db2.gz DPOFEIPSUCCWKN-NSHDSACASA-N 1 0 450.292 4.055 20 0 JIADRO C[N@H+](CCN(Cc1ccccc1)C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC001354673652 1067036400 /nfs/dbraw/zinc/03/64/00/1067036400.db2.gz FXPPKUDOSWMQMW-FYWRMAATSA-N 1 0 455.558 4.192 20 0 JIADRO COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[NH+]2CCCCC2)cc1 ZINC001351042729 1067037037 /nfs/dbraw/zinc/03/70/37/1067037037.db2.gz PUAISZDGGIXWEI-XXBNENTESA-N 1 0 455.986 4.045 20 0 JIADRO CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)cc1 ZINC001318478375 1067047588 /nfs/dbraw/zinc/04/75/88/1067047588.db2.gz GMAJKDMNUMYHCQ-UHFFFAOYSA-N 1 0 491.613 4.216 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001351117156 1067047596 /nfs/dbraw/zinc/04/75/96/1067047596.db2.gz JFDROYWBKSPURP-HXUWFJFHSA-N 1 0 487.526 4.420 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC001318509335 1067050052 /nfs/dbraw/zinc/05/00/52/1067050052.db2.gz LKSCCWZDHUDMSJ-UHFFFAOYSA-N 1 0 490.570 4.005 20 0 JIADRO CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354709884 1067055927 /nfs/dbraw/zinc/05/59/27/1067055927.db2.gz ADUBOLIVVCQYCD-AWEZNQCLSA-N 1 0 455.580 4.149 20 0 JIADRO Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2F)c1 ZINC001200760004 1067058097 /nfs/dbraw/zinc/05/80/97/1067058097.db2.gz AADKJIVWJXTNBK-KRWDZBQOSA-N 1 0 454.525 4.093 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001318769585 1067059136 /nfs/dbraw/zinc/05/91/36/1067059136.db2.gz JXCNMRIBILSYHH-FQEVSTJZSA-N 1 0 458.628 4.288 20 0 JIADRO COc1ccncc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1CSC ZINC001300701588 1067061719 /nfs/dbraw/zinc/06/17/19/1067061719.db2.gz DAQAOJAWQJCDKC-FQEVSTJZSA-N 1 0 453.612 4.258 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001319026469 1067064813 /nfs/dbraw/zinc/06/48/13/1067064813.db2.gz XWPFVEORTTXTHT-UHFFFAOYSA-N 1 0 453.612 4.292 20 0 JIADRO COc1ncccc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300703902 1067068267 /nfs/dbraw/zinc/06/82/67/1067068267.db2.gz JEBCMPPQOPXPOJ-OAQYLSRUSA-N 1 0 478.641 4.454 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)ccc1N1CC[NH+](C)CC1 ZINC001351338632 1067079442 /nfs/dbraw/zinc/07/94/42/1067079442.db2.gz KEPIQWYKIMNNCT-NRFANRHFSA-N 1 0 456.631 4.113 20 0 JIADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC001351371348 1067085793 /nfs/dbraw/zinc/08/57/93/1067085793.db2.gz RRSSYMQFICAOEU-UHFFFAOYSA-N 1 0 452.942 4.204 20 0 JIADRO CCc1ccc(-c2nc(C(=O)N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cs2)cc1 ZINC001320931689 1067095870 /nfs/dbraw/zinc/09/58/70/1067095870.db2.gz YNBJHVMXBYGJNM-JOCHJYFZSA-N 1 0 475.662 4.442 20 0 JIADRO CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)[C@H]1CCC[N@H+](C)C1 ZINC001354791277 1067099777 /nfs/dbraw/zinc/09/97/77/1067099777.db2.gz IDDRZVNQHIKRFI-NSHDSACASA-N 1 0 451.827 4.043 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4ccccc4Cl)nn3)cc2Cl)CC1 ZINC001351480938 1067101884 /nfs/dbraw/zinc/10/18/84/1067101884.db2.gz BEJJLPVYCQYPML-UHFFFAOYSA-N 1 0 459.381 4.358 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccccc3)c(C)cc1=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC001321415667 1067119780 /nfs/dbraw/zinc/11/97/80/1067119780.db2.gz UOGGXOGAUZEJGS-UHFFFAOYSA-N 1 0 494.617 4.191 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001200791213 1067127769 /nfs/dbraw/zinc/12/77/69/1067127769.db2.gz FVINBRKREQIAHD-UHFFFAOYSA-N 1 0 454.615 4.474 20 0 JIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1 ZINC001321472324 1067137823 /nfs/dbraw/zinc/13/78/23/1067137823.db2.gz RNZKLROSZOORQP-UHFFFAOYSA-N 1 0 458.562 4.024 20 0 JIADRO CC1CC[NH+](CCNC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200796904 1067158372 /nfs/dbraw/zinc/15/83/72/1067158372.db2.gz VOZGLZMXOUVPJJ-UHFFFAOYSA-N 1 0 453.219 4.369 20 0 JIADRO CN1C(=O)C[C@H](C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)[C@H]1c1cccc(F)c1 ZINC001354845277 1067184172 /nfs/dbraw/zinc/18/41/72/1067184172.db2.gz WGCBGJREVIVOBF-RPLLCQBOSA-N 1 0 481.612 4.305 20 0 JIADRO CCN1C(=O)C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)[C@H]1c1cccc(C)c1 ZINC001351748876 1067190674 /nfs/dbraw/zinc/19/06/74/1067190674.db2.gz FEIXSDWIRZZEDO-WIOPSUGQSA-N 1 0 451.636 4.400 20 0 JIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC001321654961 1067191728 /nfs/dbraw/zinc/19/17/28/1067191728.db2.gz WIIGRDYTHAGHJR-LJAQVGFWSA-N 1 0 479.584 4.251 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC001351781198 1067204146 /nfs/dbraw/zinc/20/41/46/1067204146.db2.gz PITFDCAHZSCPKZ-SFHVURJKSA-N 1 0 457.590 4.140 20 0 JIADRO C[N@H+](C1CC1)[C@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200801891 1067205123 /nfs/dbraw/zinc/20/51/23/1067205123.db2.gz QGJUXUUESAOVGB-NSHDSACASA-N 1 0 451.203 4.216 20 0 JIADRO O=C(NCc1cc(Cl)ccc1I)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001300737468 1067206322 /nfs/dbraw/zinc/20/63/22/1067206322.db2.gz APXFEOMHXLXHGW-UHFFFAOYSA-N 1 0 453.711 4.479 20 0 JIADRO CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001321765027 1067208633 /nfs/dbraw/zinc/20/86/33/1067208633.db2.gz UNPWYWKGPCBFGS-UHFFFAOYSA-N 1 0 492.645 4.018 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC4(CCCC4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492549398 1067216656 /nfs/dbraw/zinc/21/66/56/1067216656.db2.gz ZOQNYAXTGKGPKT-UHFFFAOYSA-N 1 0 455.647 4.434 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1 ZINC001321857253 1067219792 /nfs/dbraw/zinc/21/97/92/1067219792.db2.gz LVMYIXFOMVHCQV-UHFFFAOYSA-N 1 0 474.399 4.023 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001322126770 1067254535 /nfs/dbraw/zinc/25/45/35/1067254535.db2.gz DVBKYRMMYVPCGL-KRWDZBQOSA-N 1 0 474.030 4.180 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300749182 1067265700 /nfs/dbraw/zinc/26/57/00/1067265700.db2.gz PDPARDGSWHJZKZ-FKBYEOEOSA-N 1 0 490.693 4.086 20 0 JIADRO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C(=S)Nc1c(C)cc(Cl)cc1Cl)CCC2 ZINC001200814297 1067270344 /nfs/dbraw/zinc/27/03/44/1067270344.db2.gz NBPPKTLTDPLQQK-UHFFFAOYSA-N 1 0 468.454 4.303 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001200814537 1067271071 /nfs/dbraw/zinc/27/10/71/1067271071.db2.gz YARRSQBPHWRPNW-NRFANRHFSA-N 1 0 451.489 4.469 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001200815013 1067273406 /nfs/dbraw/zinc/27/34/06/1067273406.db2.gz SIVAZSJQLNXUDE-UHFFFAOYSA-N 1 0 466.438 4.057 20 0 JIADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001322334436 1067277477 /nfs/dbraw/zinc/27/74/77/1067277477.db2.gz QXYLZKGDTHGHFC-OPAMFIHVSA-N 1 0 470.411 4.244 20 0 JIADRO C[C@H]1Oc2ccc(C(=O)C(C(=S)NCC3CCC3)[n+]3ccc4c(c3)CCCC4)cc2NC1=O ZINC001322424490 1067290721 /nfs/dbraw/zinc/29/07/21/1067290721.db2.gz UUSYXLCLPALOKY-MRXNPFEDSA-O 1 0 464.611 4.173 20 0 JIADRO CCS(=O)(=O)Nc1cccc(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001322452527 1067296206 /nfs/dbraw/zinc/29/62/06/1067296206.db2.gz LJKPPLQYTYFJPQ-UHFFFAOYSA-N 1 0 483.556 4.204 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322479481 1067297913 /nfs/dbraw/zinc/29/79/13/1067297913.db2.gz ANVIUFYQSMLMHH-UHFFFAOYSA-N 1 0 459.432 4.323 20 0 JIADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322481081 1067298501 /nfs/dbraw/zinc/29/85/01/1067298501.db2.gz NENQBLXBLINPQJ-GOSISDBHSA-N 1 0 459.432 4.021 20 0 JIADRO COC(=O)[C@@]1(NC(=S)Nc2c(C)cc(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001200825128 1067302466 /nfs/dbraw/zinc/30/24/66/1067302466.db2.gz OBEUARDZTRDJNR-OAQYLSRUSA-N 1 0 452.407 4.406 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC001322595283 1067305273 /nfs/dbraw/zinc/30/52/73/1067305273.db2.gz VYOAHUOOJJYLPJ-UHFFFAOYSA-N 1 0 460.578 4.257 20 0 JIADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001322611862 1067306519 /nfs/dbraw/zinc/30/65/19/1067306519.db2.gz XKTWGEWVPYDKNF-CYBMUJFWSA-N 1 0 462.226 4.349 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)CC2)cc1 ZINC001322770287 1067308802 /nfs/dbraw/zinc/30/88/02/1067308802.db2.gz UMQFZVFVYBPPFW-QFIPXVFZSA-N 1 0 485.575 4.183 20 0 JIADRO Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352204843 1067309818 /nfs/dbraw/zinc/30/98/18/1067309818.db2.gz YVIYFLOKIXLNLE-CQSZACIVSA-N 1 0 452.343 4.279 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492579133 1067312272 /nfs/dbraw/zinc/31/22/72/1067312272.db2.gz DNKHOFUCTIWVBU-KCWPFWIISA-N 1 0 469.674 4.070 20 0 JIADRO Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001352228556 1067313497 /nfs/dbraw/zinc/31/34/97/1067313497.db2.gz YYISQDAJZMOMCQ-UHFFFAOYSA-N 1 0 451.611 4.266 20 0 JIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001352236214 1067314136 /nfs/dbraw/zinc/31/41/36/1067314136.db2.gz CZJOPDWQDRFGJF-HXUWFJFHSA-N 1 0 459.594 4.119 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001323216694 1067315536 /nfs/dbraw/zinc/31/55/36/1067315536.db2.gz FERMPXZUJRSKHH-UHFFFAOYSA-N 1 0 497.397 4.097 20 0 JIADRO CCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3N3CC[NH+](CC)CC3)CC2=O)cc1 ZINC001354986291 1067318243 /nfs/dbraw/zinc/31/82/43/1067318243.db2.gz ZWTWXNWQYVNDNK-IBGZPJMESA-N 1 0 455.002 4.036 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)(c2ccccc2)C1 ZINC001352268137 1067321406 /nfs/dbraw/zinc/32/14/06/1067321406.db2.gz JOLAZEPTGYIBDF-LVXARBLLSA-N 1 0 453.583 4.112 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300772053 1067321357 /nfs/dbraw/zinc/32/13/57/1067321357.db2.gz IPYTWLNCZMQEIO-DYESRHJHSA-N 1 0 461.582 4.127 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001300773133 1067325087 /nfs/dbraw/zinc/32/50/87/1067325087.db2.gz PJEKKOLIIBDVNM-GOTSBHOMSA-N 1 0 455.647 4.211 20 0 JIADRO CO[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC001354995592 1067326349 /nfs/dbraw/zinc/32/63/49/1067326349.db2.gz YPYJXPRYMBVMIG-IBGZPJMESA-N 1 0 452.418 4.367 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300000522 1067336672 /nfs/dbraw/zinc/33/66/72/1067336672.db2.gz HBYJZMXEAJDLBC-PPHZAIPVSA-N 1 0 495.672 4.151 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300000509 1067336688 /nfs/dbraw/zinc/33/66/88/1067336688.db2.gz GKQCOMCBIYGHSX-QGZVFWFLSA-N 1 0 469.552 4.329 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001492552917 1067340021 /nfs/dbraw/zinc/34/00/21/1067340021.db2.gz FNTWRFKSGDVMMI-BKMJKUGQSA-N 1 0 453.631 4.086 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC=CCC2)CC1 ZINC001300783511 1067341323 /nfs/dbraw/zinc/34/13/23/1067341323.db2.gz YRBUSQVNWGJRFV-LJQANCHMSA-N 1 0 457.594 4.213 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300002865 1067344950 /nfs/dbraw/zinc/34/49/50/1067344950.db2.gz OZRXRJIBWKBDPC-AWEZNQCLSA-N 1 0 464.433 4.364 20 0 JIADRO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001355027889 1067345794 /nfs/dbraw/zinc/34/57/94/1067345794.db2.gz JEPWRUKAPKOINR-BJKOFHAPSA-N 1 0 472.589 4.036 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001300785115 1067345861 /nfs/dbraw/zinc/34/58/61/1067345861.db2.gz ATCJHPLQCMWWOZ-JOCHJYFZSA-N 1 0 499.700 4.367 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001300785301 1067346395 /nfs/dbraw/zinc/34/63/95/1067346395.db2.gz PIZYQHDMSSBMLW-UYAOXDASSA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4ccccn4)nnc3N(C)CCC(F)(F)F)CCCC2)CC1 ZINC001300785543 1067347059 /nfs/dbraw/zinc/34/70/59/1067347059.db2.gz FYMFWRLSXLIKRE-UHFFFAOYSA-N 1 0 466.552 4.152 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300003413 1067347218 /nfs/dbraw/zinc/34/72/18/1067347218.db2.gz UBZFNHIMIQCRDS-SFHVURJKSA-N 1 0 485.032 4.379 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(C)CCN(C)c3ccccc3)nnc2C(C)(C)C)CC1 ZINC001300786320 1067348665 /nfs/dbraw/zinc/34/86/65/1067348665.db2.gz MGYCNGOZWMFCLW-UHFFFAOYSA-N 1 0 456.679 4.038 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccs3)CC2)CC1 ZINC001300786584 1067349416 /nfs/dbraw/zinc/34/94/16/1067349416.db2.gz RFFGWIXGQGVHCX-UHFFFAOYSA-N 1 0 488.746 4.140 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492553769 1067350783 /nfs/dbraw/zinc/35/07/83/1067350783.db2.gz MJXDTQQOWQHBOK-YXPKMTABSA-N 1 0 487.714 4.054 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300005056 1067351323 /nfs/dbraw/zinc/35/13/23/1067351323.db2.gz CKPFBSQSOSMBSL-IRZJEQJZSA-N 1 0 459.610 4.267 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001492554291 1067354821 /nfs/dbraw/zinc/35/48/21/1067354821.db2.gz UMBNUSHDDLDOIE-QHCPKHFHSA-N 1 0 478.641 4.080 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300006423 1067355238 /nfs/dbraw/zinc/35/52/38/1067355238.db2.gz OIKQZPQDLBJTNP-LJQANCHMSA-N 1 0 470.643 4.176 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001300007077 1067356734 /nfs/dbraw/zinc/35/67/34/1067356734.db2.gz XIHYEFBOUBAZMJ-UHFFFAOYSA-N 1 0 470.643 4.177 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300006904 1067356761 /nfs/dbraw/zinc/35/67/61/1067356761.db2.gz VLDVEBAWVCVGMF-KDURUIRLSA-N 1 0 486.064 4.345 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001300008645 1067359181 /nfs/dbraw/zinc/35/91/81/1067359181.db2.gz ILWGFLYTHHVAFH-IBGZPJMESA-N 1 0 462.436 4.293 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300010629 1067363371 /nfs/dbraw/zinc/36/33/71/1067363371.db2.gz MNKRYGSGRQTLJH-HXUWFJFHSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001300792907 1067363974 /nfs/dbraw/zinc/36/39/74/1067363974.db2.gz BFOOETHJHUZMDG-ROUUACIJSA-N 1 0 493.475 4.261 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492554845 1067372671 /nfs/dbraw/zinc/37/26/71/1067372671.db2.gz XNLQNQNVFFKQQT-VXKWHMMOSA-N 1 0 450.631 4.290 20 0 JIADRO CC[NH+](CC)CCN(C(=S)NC[C@H]1CCCO1)[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001200025012 1067375185 /nfs/dbraw/zinc/37/51/85/1067375185.db2.gz RNPBYGMTTAOJRH-DHIUTWEWSA-N 1 0 463.688 4.014 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492580716 1067375164 /nfs/dbraw/zinc/37/51/64/1067375164.db2.gz LUOLTMMVXAZCIZ-AREMUKBSSA-N 1 0 494.728 4.383 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001300021058 1067385041 /nfs/dbraw/zinc/38/50/41/1067385041.db2.gz ACKJDZGYKDKMCX-IBGZPJMESA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1Br ZINC001300022254 1067388045 /nfs/dbraw/zinc/38/80/45/1067388045.db2.gz UEVXGMUGKXGMGI-ZMPRRUGASA-N 1 0 494.503 4.246 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300023002 1067390987 /nfs/dbraw/zinc/39/09/87/1067390987.db2.gz AYQKGTJEZTUJOM-PCCBWWKXSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)c(OC)c1 ZINC001300023254 1067391743 /nfs/dbraw/zinc/39/17/43/1067391743.db2.gz DQAFMAYYNHHOMH-OYRHEFFESA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300023555 1067392524 /nfs/dbraw/zinc/39/25/24/1067392524.db2.gz HLQBIFQQZWFOCR-ZCNNSNEGSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001300027372 1067401711 /nfs/dbraw/zinc/40/17/11/1067401711.db2.gz MVMMEKARCWVXSI-JOCHJYFZSA-N 1 0 497.587 4.098 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027452 1067402875 /nfs/dbraw/zinc/40/28/75/1067402875.db2.gz OWXVJZGTJJCBLP-CVEARBPZSA-N 1 0 467.536 4.224 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)CC1 ZINC001355287090 1067404386 /nfs/dbraw/zinc/40/43/86/1067404386.db2.gz GOGBCUNQPXAYAF-UHFFFAOYSA-N 1 0 456.631 4.194 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300028867 1067408627 /nfs/dbraw/zinc/40/86/27/1067408627.db2.gz DINXNOVKVGQNJD-QHCPKHFHSA-N 1 0 498.716 4.108 20 0 JIADRO C[C@@H](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)[N@H+](C)Cc1ccccc1 ZINC001355309564 1067412502 /nfs/dbraw/zinc/41/25/02/1067412502.db2.gz HQMVTJBDPMAKFT-SFHVURJKSA-N 1 0 455.400 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300031766 1067422758 /nfs/dbraw/zinc/42/27/58/1067422758.db2.gz BBJMOUSLYAKCNP-JTJYXVOQSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300031703 1067422970 /nfs/dbraw/zinc/42/29/70/1067422970.db2.gz ACIRUZMDPMXZQQ-XSDIEEQYSA-N 1 0 485.673 4.332 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300031834 1067424039 /nfs/dbraw/zinc/42/40/39/1067424039.db2.gz AIGQWNYWWSUQKZ-OYRHEFFESA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300032859 1067428545 /nfs/dbraw/zinc/42/85/45/1067428545.db2.gz GHYLEVXVEJYPSN-MHECFPHRSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300034407 1067436898 /nfs/dbraw/zinc/43/68/98/1067436898.db2.gz YENRVMLJNVRKMD-OAQYLSRUSA-N 1 0 468.690 4.100 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300034814 1067438579 /nfs/dbraw/zinc/43/85/79/1067438579.db2.gz VFQBXKQSLRWORP-GGAORHGYSA-N 1 0 455.647 4.183 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)c1cccc(Br)c1 ZINC001355377144 1067438784 /nfs/dbraw/zinc/43/87/84/1067438784.db2.gz XIYJPZXPEWUPSX-UHFFFAOYSA-N 1 0 451.336 4.363 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001300040073 1067458682 /nfs/dbraw/zinc/45/86/82/1067458682.db2.gz CXBSRRGIIFLQBW-MRXNPFEDSA-N 1 0 484.389 4.254 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300040276 1067461401 /nfs/dbraw/zinc/46/14/01/1067461401.db2.gz KBKLALBUPNJFFV-VXKWHMMOSA-N 1 0 469.674 4.311 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300042085 1067477835 /nfs/dbraw/zinc/47/78/35/1067477835.db2.gz VOKPGNHIPNAWHA-GOSISDBHSA-N 1 0 463.573 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)cc1OC ZINC001300043653 1067483027 /nfs/dbraw/zinc/48/30/27/1067483027.db2.gz HRGIYQHWVAPRJM-KRWDZBQOSA-N 1 0 463.573 4.365 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[NH+]2CCCCC2)c(OC)c1 ZINC001300046135 1067497220 /nfs/dbraw/zinc/49/72/20/1067497220.db2.gz ZMNLZNDFMCUWHL-UHFFFAOYSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300047785 1067501868 /nfs/dbraw/zinc/50/18/68/1067501868.db2.gz KFFRJOKSVRMRJH-OYRHEFFESA-N 1 0 453.631 4.487 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300048220 1067502594 /nfs/dbraw/zinc/50/25/94/1067502594.db2.gz TURNJRAOKANGTP-UHFFFAOYSA-N 1 0 478.435 4.039 20 0 JIADRO CCCCc1nc(-c2cccc(OC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)no1 ZINC001355542844 1067503821 /nfs/dbraw/zinc/50/38/21/1067503821.db2.gz BCOGQDPVTZMFHS-FCHUYYIVSA-N 1 0 451.571 4.232 20 0 JIADRO CCCCc1nc(-c2cccc(OC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)no1 ZINC001355542850 1067503905 /nfs/dbraw/zinc/50/39/05/1067503905.db2.gz BCOGQDPVTZMFHS-VXKWHMMOSA-N 1 0 451.571 4.232 20 0 JIADRO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC001200069059 1067506217 /nfs/dbraw/zinc/50/62/17/1067506217.db2.gz FPHVGYMAHQWQHH-UHFFFAOYSA-N 1 0 459.509 4.147 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300050901 1067511202 /nfs/dbraw/zinc/51/12/02/1067511202.db2.gz VYBABHWIVJSLLR-LADGPHEKSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001300051059 1067513008 /nfs/dbraw/zinc/51/30/08/1067513008.db2.gz WYVJNBAEIKRTIJ-WMZOPIPTSA-N 1 0 467.536 4.225 20 0 JIADRO C[NH+]1CCN(C[C@@H](NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001352553463 1067517713 /nfs/dbraw/zinc/51/77/13/1067517713.db2.gz IJJGAMKLZYZMBB-LSSXRZCCSA-N 1 0 451.920 4.391 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCC(C)C ZINC001492582765 1067531827 /nfs/dbraw/zinc/53/18/27/1067531827.db2.gz SIFKFDIIINELSL-RUZDIDTESA-N 1 0 452.691 4.218 20 0 JIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001355667819 1067546229 /nfs/dbraw/zinc/54/62/29/1067546229.db2.gz HTXQSGIHLVMGOG-UHFFFAOYSA-N 1 0 451.518 4.332 20 0 JIADRO COC(=O)c1nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)cs1 ZINC001355670535 1067547852 /nfs/dbraw/zinc/54/78/52/1067547852.db2.gz WYKGQBNLMRZZFI-QGZVFWFLSA-N 1 0 458.411 4.465 20 0 JIADRO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=S)NCCc3ccc(OC)c(OC)c3)c2)CC1 ZINC001200078809 1067550887 /nfs/dbraw/zinc/55/08/87/1067550887.db2.gz CULDUNKHPQEPFQ-UHFFFAOYSA-N 1 0 485.650 4.008 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300060704 1067560346 /nfs/dbraw/zinc/56/03/46/1067560346.db2.gz PPJJXXGQRQIHRK-TXTKFYIRSA-N 1 0 471.646 4.086 20 0 JIADRO Cc1cccc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001355776277 1067579647 /nfs/dbraw/zinc/57/96/47/1067579647.db2.gz XFIFPLXCCABQTC-RRPNLBNLSA-N 1 0 455.602 4.065 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1OC ZINC001300067185 1067582612 /nfs/dbraw/zinc/58/26/12/1067582612.db2.gz KMBRGTLZFAAZRT-ZJSXRUAMSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(CCNC(=S)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC001200088145 1067583136 /nfs/dbraw/zinc/58/31/36/1067583136.db2.gz FKVFQYLYSUTIRA-UHFFFAOYSA-N 1 0 462.059 4.276 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(c4cccs4)CC3)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001300068985 1067588263 /nfs/dbraw/zinc/58/82/63/1067588263.db2.gz HLBCDJGLUDOTCK-UHFFFAOYSA-N 1 0 484.670 4.081 20 0 JIADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC001355867953 1067594468 /nfs/dbraw/zinc/59/44/68/1067594468.db2.gz KVWRRTSNVOGLDU-CXAGYDPISA-N 1 0 450.402 4.138 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001300072109 1067594505 /nfs/dbraw/zinc/59/45/05/1067594505.db2.gz YBPJEDHYBZRBKY-VQTJNVASSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)C)c(OC)c1 ZINC001300074413 1067597621 /nfs/dbraw/zinc/59/76/21/1067597621.db2.gz FUPZPFOKQHRCCP-BWKNWUBXSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001300083131 1067622022 /nfs/dbraw/zinc/62/20/22/1067622022.db2.gz JYRUJEMYOCFLIY-ROUUACIJSA-N 1 0 492.462 4.062 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC001355972897 1067622694 /nfs/dbraw/zinc/62/26/94/1067622694.db2.gz UIQBTTAHIARARN-DENIHFKCSA-N 1 0 472.427 4.298 20 0 JIADRO C[NH+](C)CCCOc1ccc(CNCc2ncc(Br)cc2Br)cc1 ZINC001200105674 1067629011 /nfs/dbraw/zinc/62/90/11/1067629011.db2.gz MGBKWPAQQWKEBU-UHFFFAOYSA-N 1 0 457.210 4.227 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300090264 1067644561 /nfs/dbraw/zinc/64/45/61/1067644561.db2.gz ZEJDVVCCOIENID-ONTIZHBOSA-N 1 0 498.672 4.178 20 0 JIADRO Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1Cc1ccccc1 ZINC001352720810 1067652232 /nfs/dbraw/zinc/65/22/32/1067652232.db2.gz YITLBSLGXGRCTG-UHFFFAOYSA-N 1 0 456.512 4.378 20 0 JIADRO COc1ccc(C2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001300095607 1067658660 /nfs/dbraw/zinc/65/86/60/1067658660.db2.gz CRAQOCMMCQYKIC-MRXNPFEDSA-N 1 0 487.446 4.378 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300108085 1067702687 /nfs/dbraw/zinc/70/26/87/1067702687.db2.gz ZPGIHLQHRVWRMC-UQBPGWFLSA-N 1 0 469.655 4.300 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001300108422 1067704907 /nfs/dbraw/zinc/70/49/07/1067704907.db2.gz RMBXWDQHVRPBOC-IBGZPJMESA-N 1 0 482.698 4.488 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300113854 1067720139 /nfs/dbraw/zinc/72/01/39/1067720139.db2.gz ICZLUNJISIWCSO-NOZRDPDXSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cc(C)on3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300114220 1067720954 /nfs/dbraw/zinc/72/09/54/1067720954.db2.gz MGZJBTJXLDPRDK-UHFFFAOYSA-N 1 0 466.630 4.269 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300115417 1067724797 /nfs/dbraw/zinc/72/47/97/1067724797.db2.gz YWCMLMJHYGMNSK-VWNXMTODSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300116086 1067726019 /nfs/dbraw/zinc/72/60/19/1067726019.db2.gz CUYGPYMIYXNBKZ-RJGXRXQPSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCOC(C)(C)C)cc1 ZINC001300118763 1067731981 /nfs/dbraw/zinc/73/19/81/1067731981.db2.gz GOAYOJRAEVNJBW-QHCPKHFHSA-N 1 0 469.674 4.199 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC[NH+]2CCCC2)cc1 ZINC001300119439 1067733724 /nfs/dbraw/zinc/73/37/24/1067733724.db2.gz ULNJDBMNADAJLQ-UHFFFAOYSA-N 1 0 450.414 4.067 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC001356353291 1067733749 /nfs/dbraw/zinc/73/37/49/1067733749.db2.gz RVQNEJXDLRKEFW-CQSZACIVSA-N 1 0 456.509 4.466 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCSC2)cc1 ZINC001300122742 1067742060 /nfs/dbraw/zinc/74/20/60/1067742060.db2.gz IRNPPCQBXHVCBN-NRFANRHFSA-N 1 0 457.688 4.136 20 0 JIADRO CCn1c(SCC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493815 1067764041 /nfs/dbraw/zinc/76/40/41/1067764041.db2.gz COELTFMKVWEDAN-AZUAARDMSA-N 1 0 453.612 4.067 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001356508211 1067767501 /nfs/dbraw/zinc/76/75/01/1067767501.db2.gz VPHZQMXAFHRGRR-NRFANRHFSA-N 1 0 457.368 4.198 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(Cc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132912 1067771488 /nfs/dbraw/zinc/77/14/88/1067771488.db2.gz IIYSOVZBGUXDKU-RUZDIDTESA-N 1 0 476.669 4.462 20 0 JIADRO C[C@@H]1CN([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2c(F)cccc2Cl)CCO1 ZINC000849058166 1067789278 /nfs/dbraw/zinc/78/92/78/1067789278.db2.gz RGVWIVQOIYVKQW-DNVCBOLYSA-N 1 0 462.953 4.039 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000849059271 1067789317 /nfs/dbraw/zinc/78/93/17/1067789317.db2.gz OBPUZNIWQMUORT-CRAIPNDOSA-N 1 0 479.408 4.043 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1ccccc1OCCN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000849065928 1067793551 /nfs/dbraw/zinc/79/35/51/1067793551.db2.gz JMIOERYNDKIOML-INIZCTEOSA-N 1 0 451.398 4.080 20 0 JIADRO COc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC([NH2+]C(C)C)CC2)c(Cl)c1OC ZINC001300143071 1067795460 /nfs/dbraw/zinc/79/54/60/1067795460.db2.gz XFBCLROMLZCQRP-UHFFFAOYSA-N 1 0 487.048 4.164 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cc(Br)c(OC)c(OC)c2)c1 ZINC000849073537 1067796695 /nfs/dbraw/zinc/79/66/95/1067796695.db2.gz IOAWCEDADREEBA-UHFFFAOYSA-N 1 0 452.349 4.400 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1OC ZINC001357114902 1067805950 /nfs/dbraw/zinc/80/59/50/1067805950.db2.gz BXBWVEZHZHVGQZ-UHFFFAOYSA-N 1 0 452.580 4.143 20 0 JIADRO COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)cn3)c(F)c2)c(F)c1 ZINC001357146436 1067810267 /nfs/dbraw/zinc/81/02/67/1067810267.db2.gz YDGCSMDXBXITRQ-SFHVURJKSA-N 1 0 452.505 4.428 20 0 JIADRO CCOC(=O)N1[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@H]1c1ccc(C)o1 ZINC001352940701 1067811910 /nfs/dbraw/zinc/81/19/10/1067811910.db2.gz LUSDCOSFUFAVLZ-FCHUYYIVSA-N 1 0 454.571 4.031 20 0 JIADRO CCOc1cccc2c1OCC(C(=O)N(C)Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)=C2 ZINC001300161847 1067816943 /nfs/dbraw/zinc/81/69/43/1067816943.db2.gz BUHWEDZVRZRYPQ-BGYRXZFFSA-N 1 0 450.579 4.129 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300162385 1067817503 /nfs/dbraw/zinc/81/75/03/1067817503.db2.gz LLRCFFZEWIMNRY-NRFANRHFSA-N 1 0 478.641 4.362 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492584757 1067821711 /nfs/dbraw/zinc/82/17/11/1067821711.db2.gz RQPODOJUNMPZIP-ZEQRLZLVSA-N 1 0 463.674 4.271 20 0 JIADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245865 1067823466 /nfs/dbraw/zinc/82/34/66/1067823466.db2.gz HGZBKBWIGMFQHE-NYVOZVTQSA-N 1 0 458.647 4.094 20 0 JIADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245390 1067823606 /nfs/dbraw/zinc/82/36/06/1067823606.db2.gz CKTDHASHFMXBRQ-MZNJEOGPSA-N 1 0 453.537 4.227 20 0 JIADRO CC(C)N(CC[NH+](C)C)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001357259548 1067827226 /nfs/dbraw/zinc/82/72/26/1067827226.db2.gz VTMXVVGMPURFGW-UHFFFAOYSA-N 1 0 451.518 4.427 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001300170902 1067830066 /nfs/dbraw/zinc/83/00/66/1067830066.db2.gz YMRCHFYWSVFKCK-REWPJTCUSA-N 1 0 453.587 4.369 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001300172052 1067831133 /nfs/dbraw/zinc/83/11/33/1067831133.db2.gz DMWGSOXNWHHYOE-WOJBJXKFSA-N 1 0 473.662 4.018 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)cc1O ZINC001300173834 1067833290 /nfs/dbraw/zinc/83/32/90/1067833290.db2.gz YBBLKPOVBRGISQ-UHFFFAOYSA-N 1 0 461.676 4.045 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC001300176001 1067835223 /nfs/dbraw/zinc/83/52/23/1067835223.db2.gz GJNWFMYINZZZHJ-NHCUHLMSSA-N 1 0 480.632 4.416 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300176407 1067836186 /nfs/dbraw/zinc/83/61/86/1067836186.db2.gz RSJJBSZNUDPGEO-UHFFFAOYSA-N 1 0 478.641 4.040 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001300176488 1067836927 /nfs/dbraw/zinc/83/69/27/1067836927.db2.gz UZGOWSKLMJNFTP-QFIPXVFZSA-N 1 0 462.642 4.482 20 0 JIADRO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC001473277863 1067854905 /nfs/dbraw/zinc/85/49/05/1067854905.db2.gz GMYNJNMTDZIOMH-UHFFFAOYSA-N 1 0 451.489 4.014 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(OC)c1OC ZINC001300191982 1067856817 /nfs/dbraw/zinc/85/68/17/1067856817.db2.gz YWDILQHPXJKRNZ-IBGZPJMESA-N 1 0 471.646 4.142 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001200221821 1067863623 /nfs/dbraw/zinc/86/36/23/1067863623.db2.gz LCKLBEMSWMGXQQ-HOJAQTOUSA-N 1 0 491.503 4.228 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1c(C)cc(Br)cc1C)C2 ZINC001200222304 1067864716 /nfs/dbraw/zinc/86/47/16/1067864716.db2.gz RAIOHELWFSCCEB-PGRDOPGGSA-N 1 0 466.489 4.443 20 0 JIADRO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(OC)c1 ZINC001300202920 1067874796 /nfs/dbraw/zinc/87/47/96/1067874796.db2.gz VLNLNAPZKLFHRG-UHFFFAOYSA-N 1 0 478.641 4.271 20 0 JIADRO CCc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001357609290 1067877053 /nfs/dbraw/zinc/87/70/53/1067877053.db2.gz JHSLHEQWDIEYJO-UHFFFAOYSA-N 1 0 459.381 4.178 20 0 JIADRO COc1cccc(N(CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)OC(C)(C)C)c1 ZINC001300206126 1067878148 /nfs/dbraw/zinc/87/81/48/1067878148.db2.gz DLCRQQPMXGCJPP-AREMUKBSSA-N 1 0 453.583 4.218 20 0 JIADRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641686 1067881574 /nfs/dbraw/zinc/88/15/74/1067881574.db2.gz WMTDSXJOJFGQAI-HWLQVEPHSA-N 1 0 453.583 4.390 20 0 JIADRO NC(=O)c1cccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001357670549 1067884682 /nfs/dbraw/zinc/88/46/82/1067884682.db2.gz PATDPGHOIFUQOD-LOSJGSFVSA-N 1 0 461.993 4.013 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@@H]21 ZINC001473302431 1067887611 /nfs/dbraw/zinc/88/76/11/1067887611.db2.gz QBIJPYKAUPTDKK-YZGWKJHDSA-N 1 0 456.612 4.034 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@@H]21 ZINC001473302430 1067887694 /nfs/dbraw/zinc/88/76/94/1067887694.db2.gz QBIJPYKAUPTDKK-YSIASYRMSA-N 1 0 456.612 4.034 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)C[C@H]21 ZINC001473302767 1067891001 /nfs/dbraw/zinc/89/10/01/1067891001.db2.gz WVEINAFMKZQVIW-DXCKQFNASA-N 1 0 452.477 4.279 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)C[C@@H]21 ZINC001473302768 1067891142 /nfs/dbraw/zinc/89/11/42/1067891142.db2.gz WVEINAFMKZQVIW-HACGYAERSA-N 1 0 452.477 4.279 20 0 JIADRO COc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001300222282 1067893292 /nfs/dbraw/zinc/89/32/92/1067893292.db2.gz XFHMQOYYAVKHAU-UHFFFAOYSA-N 1 0 476.669 4.464 20 0 JIADRO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H]1C ZINC001357784295 1067899602 /nfs/dbraw/zinc/89/96/02/1067899602.db2.gz BBWIYJPGDSPBLY-KNKQGSTJSA-N 1 0 453.583 4.218 20 0 JIADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001200268986 1067913087 /nfs/dbraw/zinc/91/30/87/1067913087.db2.gz RNXKGCHTKUSIJG-UHFFFAOYSA-N 1 0 457.821 4.293 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300237953 1067936079 /nfs/dbraw/zinc/93/60/79/1067936079.db2.gz VDAVPGLBOZFQAL-RXVVDRJESA-N 1 0 464.054 4.447 20 0 JIADRO COc1ccc(Cl)cc1Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300240525 1067947753 /nfs/dbraw/zinc/94/77/53/1067947753.db2.gz IZTPVYDSWTXCNM-JOCHJYFZSA-N 1 0 462.038 4.397 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492560480 1067953287 /nfs/dbraw/zinc/95/32/87/1067953287.db2.gz KSGRWUKIUNEUOE-IFMALSPDSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC001357978557 1067968423 /nfs/dbraw/zinc/96/84/23/1067968423.db2.gz NLXJKISOICWZIE-UHFFFAOYSA-N 1 0 455.562 4.495 20 0 JIADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358035452 1067997533 /nfs/dbraw/zinc/99/75/33/1067997533.db2.gz MNVLSOOKMRVDLE-QXWFJRNPSA-N 1 0 457.977 4.124 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300252938 1068006696 /nfs/dbraw/zinc/00/66/96/1068006696.db2.gz FZLZSKYNDMWOCJ-NRFANRHFSA-N 1 0 479.572 4.099 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001358077483 1068012058 /nfs/dbraw/zinc/01/20/58/1068012058.db2.gz LQQZPPAISPXQCJ-UHFFFAOYSA-N 1 0 456.612 4.216 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001358120114 1068023413 /nfs/dbraw/zinc/02/34/13/1068023413.db2.gz FJBKVGHQONPBCU-ARMFNRFLSA-N 1 0 470.057 4.378 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)C1 ZINC001353323691 1068027170 /nfs/dbraw/zinc/02/71/70/1068027170.db2.gz CJMHXULIMVURNB-BTYIYWSLSA-N 1 0 457.368 4.401 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)cc1 ZINC001353325344 1068028286 /nfs/dbraw/zinc/02/82/86/1068028286.db2.gz JNBFJOYFUBNMIV-UHFFFAOYSA-N 1 0 452.595 4.029 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263463 1068029654 /nfs/dbraw/zinc/02/96/54/1068029654.db2.gz FBQYGGMGUOUTOR-OAQYLSRUSA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccc(C)o3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300263711 1068030506 /nfs/dbraw/zinc/03/05/06/1068030506.db2.gz MXNZOGFUCANFJX-LJQANCHMSA-N 1 0 453.587 4.135 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccsc3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300263987 1068032045 /nfs/dbraw/zinc/03/20/45/1068032045.db2.gz UCOLUFUTBNIIEF-LJQANCHMSA-N 1 0 455.628 4.296 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300264263 1068032607 /nfs/dbraw/zinc/03/26/07/1068032607.db2.gz ZVNVGYRNPMKILH-UHFFFAOYSA-N 1 0 459.610 4.172 20 0 JIADRO Cc1ccc(CNC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)cc1 ZINC001200309075 1068038749 /nfs/dbraw/zinc/03/87/49/1068038749.db2.gz MAAHDZVZOBYQQH-RPLLCQBOSA-N 1 0 464.679 4.015 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300267441 1068039844 /nfs/dbraw/zinc/03/98/44/1068039844.db2.gz AXAYSLWXULOJMO-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001300269159 1068044666 /nfs/dbraw/zinc/04/46/66/1068044666.db2.gz HZDVUYZUPIIMAA-JOCHJYFZSA-N 1 0 485.673 4.382 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC001358215062 1068045626 /nfs/dbraw/zinc/04/56/26/1068045626.db2.gz LSYMPOOMDOYWCB-QQKQFIJSSA-N 1 0 459.556 4.077 20 0 JIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001358282853 1068059165 /nfs/dbraw/zinc/05/91/65/1068059165.db2.gz KDRRQEMMLHLTGA-INIZCTEOSA-N 1 0 459.432 4.316 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492564508 1068066399 /nfs/dbraw/zinc/06/63/99/1068066399.db2.gz JXHKFJXXJLKFDR-VWLOTQADSA-N 1 0 457.688 4.475 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492565410 1068078854 /nfs/dbraw/zinc/07/88/54/1068078854.db2.gz DQROYAPPMAGPAZ-YADHBBJMSA-N 1 0 466.674 4.117 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300285443 1068084224 /nfs/dbraw/zinc/08/42/24/1068084224.db2.gz VISCFYOHBSGLDV-VWLOTQADSA-N 1 0 471.646 4.136 20 0 JIADRO C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478747 1068100832 /nfs/dbraw/zinc/10/08/32/1068100832.db2.gz LOMDOBUQXZKNJJ-NQIIRXRSSA-N 1 0 455.986 4.015 20 0 JIADRO Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(C)c1 ZINC001358479350 1068103437 /nfs/dbraw/zinc/10/34/37/1068103437.db2.gz IZXNKRXDGQNAOH-DHIUTWEWSA-N 1 0 476.646 4.381 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc(Br)cn4)nn3)c2C1 ZINC001358489283 1068112669 /nfs/dbraw/zinc/11/26/69/1068112669.db2.gz PDKZJBSWTHGVQA-UHFFFAOYSA-N 1 0 455.360 4.039 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300296983 1068127553 /nfs/dbraw/zinc/12/75/53/1068127553.db2.gz RHAXKGLKUUJIOQ-ATIYNZHBSA-N 1 0 499.700 4.485 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)cc1 ZINC000493203488 1068136528 /nfs/dbraw/zinc/13/65/28/1068136528.db2.gz IRGJWMCQJZBKPZ-UHFFFAOYSA-N 1 0 472.387 4.062 20 0 JIADRO CSc1cccc(N(C(=O)c2ccc(OCc3noc(C)n3)cc2)C2CC[NH+](C)CC2)c1 ZINC001353441973 1068137785 /nfs/dbraw/zinc/13/77/85/1068137785.db2.gz GKYBDJDITBVUKW-UHFFFAOYSA-N 1 0 452.580 4.420 20 0 JIADRO CSc1cccc(N(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C2CC[NH+](C)CC2)c1 ZINC001353445704 1068139991 /nfs/dbraw/zinc/13/99/91/1068139991.db2.gz UQNDDUZMFYLQRY-UHFFFAOYSA-N 1 0 452.546 4.240 20 0 JIADRO Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001353480938 1068187898 /nfs/dbraw/zinc/18/78/98/1068187898.db2.gz ZDYZQEKJLZAOAC-UHFFFAOYSA-N 1 0 452.546 4.291 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC001353482127 1068190276 /nfs/dbraw/zinc/19/02/76/1068190276.db2.gz FDXZPUTVOPADKW-UHFFFAOYSA-N 1 0 458.727 4.274 20 0 JIADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000514070092 1068252120 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ZFPPSUIJPTYVEK-UHFFFAOYSA-N 1 0 450.631 4.364 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H](C)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300461220 1068795963 /nfs/dbraw/zinc/79/59/63/1068795963.db2.gz KFBTWBUAQKPWKO-LJQANCHMSA-N 1 0 468.671 4.239 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H](C)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300461219 1068796330 /nfs/dbraw/zinc/79/63/30/1068796330.db2.gz KFBTWBUAQKPWKO-IBGZPJMESA-N 1 0 468.671 4.239 20 0 JIADRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=S)NCc2cccc(OC)c2OC)CC3)c1 ZINC001200513625 1068802035 /nfs/dbraw/zinc/80/20/35/1068802035.db2.gz WXDAQUGQRYHROI-UHFFFAOYSA-N 1 0 469.651 4.075 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300466462 1068805703 /nfs/dbraw/zinc/80/57/03/1068805703.db2.gz LOQIDRPNOYEUDP-FPOVZHCZSA-N 1 0 484.670 4.007 20 0 JIADRO COc1ccccc1-c1nnc(N(CCC(F)(F)F)CC2CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300473857 1068819520 /nfs/dbraw/zinc/81/95/20/1068819520.db2.gz PHZXYTSQAONOMM-UHFFFAOYSA-N 1 0 494.606 4.149 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300478480 1068829831 /nfs/dbraw/zinc/82/98/31/1068829831.db2.gz JBHSDTATEYCFJZ-CUVVAGTFSA-N 1 0 455.647 4.468 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001492567050 1068830497 /nfs/dbraw/zinc/83/04/97/1068830497.db2.gz ZAAWNNRCVORQTI-GOSISDBHSA-N 1 0 451.537 4.286 20 0 JIADRO COC(=O)c1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001200533112 1068838794 /nfs/dbraw/zinc/83/87/94/1068838794.db2.gz IHXMEJJAYXBDCO-UHFFFAOYSA-N 1 0 459.974 4.319 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300486213 1068846846 /nfs/dbraw/zinc/84/68/46/1068846846.db2.gz SVHOACXAKSAKRH-OAQYLSRUSA-N 1 0 495.590 4.479 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300490157 1068853433 /nfs/dbraw/zinc/85/34/33/1068853433.db2.gz AZDIXMNDCPQLNI-KDURUIRLSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001300492778 1068859234 /nfs/dbraw/zinc/85/92/34/1068859234.db2.gz UWFUIUXJBNMSSS-OAQYLSRUSA-N 1 0 482.673 4.055 20 0 JIADRO COc1ccc(C[NH+]2CCC(NC(=S)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1 ZINC001200545543 1068864901 /nfs/dbraw/zinc/86/49/01/1068864901.db2.gz JNFJJIWAONXGEX-UHFFFAOYSA-N 1 0 450.004 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300499689 1068868118 /nfs/dbraw/zinc/86/81/18/1068868118.db2.gz TVGMSXXHKNCLLD-VQTJNVASSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCC[N@H+](C)C(C)C ZINC001300500135 1068868885 /nfs/dbraw/zinc/86/88/85/1068868885.db2.gz YPBGSKDLRCXJFR-OAQYLSRUSA-N 1 0 484.689 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001300507284 1068881506 /nfs/dbraw/zinc/88/15/06/1068881506.db2.gz LRBBRJUKNHXMOQ-OAQYLSRUSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001300513481 1068893998 /nfs/dbraw/zinc/89/39/98/1068893998.db2.gz NSOLPMMTSXSZSS-WIOPSUGQSA-N 1 0 499.700 4.342 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300513767 1068894788 /nfs/dbraw/zinc/89/47/88/1068894788.db2.gz PXLWVNFCQFHRFX-AQNXPRMDSA-N 1 0 494.606 4.147 20 0 JIADRO C[C@H]1C[C@@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@@H+]1C ZINC001354119007 1068909526 /nfs/dbraw/zinc/90/95/26/1068909526.db2.gz XLKXGEWWQNEUOR-RDJZCZTQSA-N 1 0 456.637 4.238 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300523704 1068921046 /nfs/dbraw/zinc/92/10/46/1068921046.db2.gz AOPJEFHPIOTVDD-VXKWHMMOSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300524860 1068924801 /nfs/dbraw/zinc/92/48/01/1068924801.db2.gz NLUKPXIJIIHRKK-DENIHFKCSA-N 1 0 460.582 4.312 20 0 JIADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001354143692 1068929960 /nfs/dbraw/zinc/92/99/60/1068929960.db2.gz YNFGGCCHMWDUCM-SFHVURJKSA-N 1 0 450.970 4.048 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300527720 1068931978 /nfs/dbraw/zinc/93/19/78/1068931978.db2.gz BFOJSPXRCMMBJA-JOCHJYFZSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300531641 1068945430 /nfs/dbraw/zinc/94/54/30/1068945430.db2.gz YJKAUMZKLIBDIU-FUCAVZNHSA-N 1 0 499.700 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cccs2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300535985 1068955900 /nfs/dbraw/zinc/95/59/00/1068955900.db2.gz MOFLKKGLPNNYBK-UHFFFAOYSA-N 1 0 471.696 4.403 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001492568888 1068962867 /nfs/dbraw/zinc/96/28/67/1068962867.db2.gz DJCLOQREQUPXKP-UHFFFAOYSA-N 1 0 464.580 4.202 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300539392 1068965942 /nfs/dbraw/zinc/96/59/42/1068965942.db2.gz DQTLHCNMQJDCDJ-UGKGYDQZSA-N 1 0 469.655 4.105 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H](C)[NH+](C)C ZINC001300539539 1068967258 /nfs/dbraw/zinc/96/72/58/1068967258.db2.gz JAQKJVARGBOQEX-OAHLLOKOSA-N 1 0 478.460 4.288 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)[C@@H]1c1cccs1 ZINC001354209674 1068979813 /nfs/dbraw/zinc/97/98/13/1068979813.db2.gz JRASPUUPFIORIT-FUPPJEDESA-N 1 0 455.624 4.439 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300548514 1068991376 /nfs/dbraw/zinc/99/13/76/1068991376.db2.gz NPTYHACNCKRLMQ-WOJBJXKFSA-N 1 0 457.688 4.330 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492586439 1069002934 /nfs/dbraw/zinc/00/29/34/1069002934.db2.gz HPFDXAYFVODOHT-QFIPXVFZSA-N 1 0 496.700 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300552694 1069003692 /nfs/dbraw/zinc/00/36/92/1069003692.db2.gz TVSRZBIVQGQOAN-JOCHJYFZSA-N 1 0 469.674 4.251 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492586760 1069004974 /nfs/dbraw/zinc/00/49/74/1069004974.db2.gz RXXQZNQHWNSFMV-YADHBBJMSA-N 1 0 492.634 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCC(C)(C)C ZINC001300555306 1069010012 /nfs/dbraw/zinc/01/00/12/1069010012.db2.gz AVOFEEZMVRUIFG-XMMPIXPASA-N 1 0 482.717 4.309 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492586945 1069018171 /nfs/dbraw/zinc/01/81/71/1069018171.db2.gz YWKMYEJYCQANFD-SANMLTNESA-N 1 0 494.728 4.383 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001492587013 1069018788 /nfs/dbraw/zinc/01/87/88/1069018788.db2.gz BAZRJWWXCFAEMY-MHZLTWQESA-N 1 0 465.642 4.236 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492587848 1069018900 /nfs/dbraw/zinc/01/89/00/1069018900.db2.gz CYYBPQPKYUFZME-NRFANRHFSA-N 1 0 465.564 4.209 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492571764 1069020092 /nfs/dbraw/zinc/02/00/92/1069020092.db2.gz JCEKTHQOKKCEOQ-SFHLNBCPSA-N 1 0 465.564 4.389 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587400 1069024050 /nfs/dbraw/zinc/02/40/50/1069024050.db2.gz OMZJDFNWGMQKIM-SANMLTNESA-N 1 0 496.744 4.235 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(CC(C)C)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001492572640 1069041990 /nfs/dbraw/zinc/04/19/90/1069041990.db2.gz FLCJSPCRSGHJCJ-DEOSSOPVSA-N 1 0 452.691 4.053 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCOC(C)C ZINC001300563602 1069042223 /nfs/dbraw/zinc/04/22/23/1069042223.db2.gz RZFTZLCTWQWMBD-QHCPKHFHSA-N 1 0 469.674 4.395 20 0 JIADRO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478730 1069047795 /nfs/dbraw/zinc/04/77/95/1069047795.db2.gz JUIFJEOBYSLDTF-MHZLTWQESA-N 1 0 465.686 4.425 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001300565737 1069053546 /nfs/dbraw/zinc/05/35/46/1069053546.db2.gz AEGYIDHFUQPQFJ-HSZRJFAPSA-N 1 0 450.966 4.416 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487892 1069053944 /nfs/dbraw/zinc/05/39/44/1069053944.db2.gz AYLRZVHURWLSHM-IAGOWNOFSA-N 1 0 464.422 4.448 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849489744 1069057529 /nfs/dbraw/zinc/05/75/29/1069057529.db2.gz LCDKZXYCFLTDEU-RPWUZVMVSA-N 1 0 475.641 4.248 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001300566953 1069059619 /nfs/dbraw/zinc/05/96/19/1069059619.db2.gz HKZWSZXCMDNOAY-UHFFFAOYSA-N 1 0 499.457 4.004 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C(C)C ZINC001300566886 1069059676 /nfs/dbraw/zinc/05/96/76/1069059676.db2.gz GBZHLLPHWYRFSO-UHFFFAOYSA-N 1 0 479.673 4.006 20 0 JIADRO COc1cc(CN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492444 1069062759 /nfs/dbraw/zinc/06/27/59/1069062759.db2.gz WZRUIGFZXCSCHO-LEWJYISDSA-N 1 0 476.568 4.035 20 0 JIADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849494306 1069063704 /nfs/dbraw/zinc/06/37/04/1069063704.db2.gz SPBICADWPOJCPG-NOZRDPDXSA-N 1 0 473.621 4.111 20 0 JIADRO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502181 1069074670 /nfs/dbraw/zinc/07/46/70/1069074670.db2.gz ZCRRYFOJUDGIJH-RDGATRHJSA-N 1 0 461.610 4.040 20 0 JIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849501754 1069075827 /nfs/dbraw/zinc/07/58/27/1069075827.db2.gz AHTQDVCXVJSIJP-GRADPPADSA-N 1 0 479.669 4.299 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849503362 1069077752 /nfs/dbraw/zinc/07/77/52/1069077752.db2.gz IEVJSEDJEWLGRM-UIOOFZCWSA-N 1 0 476.669 4.496 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503482 1069079638 /nfs/dbraw/zinc/07/96/38/1069079638.db2.gz YFPXPUCXTXLGJG-IGKWTDBASA-N 1 0 468.642 4.441 20 0 JIADRO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503872 1069083253 /nfs/dbraw/zinc/08/32/53/1069083253.db2.gz MDBKZBNKSKGBHX-RRPNLBNLSA-N 1 0 487.648 4.468 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505153 1069085464 /nfs/dbraw/zinc/08/54/64/1069085464.db2.gz RSKOEPZZVDEURK-PMACEKPBSA-N 1 0 455.603 4.368 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505900 1069086230 /nfs/dbraw/zinc/08/62/30/1069086230.db2.gz KEWJXFUNBDVHIE-RDGATRHJSA-N 1 0 463.626 4.130 20 0 JIADRO Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510082 1069091892 /nfs/dbraw/zinc/09/18/92/1069091892.db2.gz GUVTXQLGTHESCL-JWQCQUIFSA-N 1 0 487.648 4.154 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849511331 1069093642 /nfs/dbraw/zinc/09/36/42/1069093642.db2.gz PHRHJGPZEXKKDH-FGZHOGPDSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849513855 1069098222 /nfs/dbraw/zinc/09/82/22/1069098222.db2.gz FGSZVNDOWJKEDO-DNQXCXABSA-N 1 0 467.589 4.119 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849515049 1069099820 /nfs/dbraw/zinc/09/98/20/1069099820.db2.gz DWJZAPMFYFQYMT-NNMXDRDESA-N 1 0 465.425 4.141 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849516291 1069101738 /nfs/dbraw/zinc/10/17/38/1069101738.db2.gz HMMCAVRMGFXUSW-OPHFCASCSA-N 1 0 473.621 4.364 20 0 JIADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516672 1069104306 /nfs/dbraw/zinc/10/43/06/1069104306.db2.gz LTRNWKUKTISSNM-PUUVEUEGSA-N 1 0 460.622 4.090 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516674 1069104437 /nfs/dbraw/zinc/10/44/37/1069104437.db2.gz LURGGZKJGWYBKW-GOTSBHOMSA-N 1 0 456.594 4.426 20 0 JIADRO COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849516610 1069104449 /nfs/dbraw/zinc/10/44/49/1069104449.db2.gz KUSYIKRKPNSURO-WOJBJXKFSA-N 1 0 471.602 4.228 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517758 1069106572 /nfs/dbraw/zinc/10/65/72/1069106572.db2.gz VANWFBBMHDHOHJ-FGZHOGPDSA-N 1 0 473.459 4.280 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849521962 1069114909 /nfs/dbraw/zinc/11/49/09/1069114909.db2.gz IFPMAWSCANBABH-DQEYMECFSA-N 1 0 472.593 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849522070 1069115138 /nfs/dbraw/zinc/11/51/38/1069115138.db2.gz JGQDFEUQUYFTGN-DNQXCXABSA-N 1 0 460.578 4.196 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849525381 1069117320 /nfs/dbraw/zinc/11/73/20/1069117320.db2.gz PMXGCGZCROFZTD-DNQXCXABSA-N 1 0 452.599 4.358 20 0 JIADRO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849524897 1069118045 /nfs/dbraw/zinc/11/80/45/1069118045.db2.gz KOXXWQMBKSGMMK-VWNXMTODSA-N 1 0 476.577 4.452 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300582434 1069121921 /nfs/dbraw/zinc/12/19/21/1069121921.db2.gz ICPLRTBOOVGYSK-FDFHNCONSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849525964 1069123159 /nfs/dbraw/zinc/12/31/59/1069123159.db2.gz PVMDIEKPEPKSNG-PMACEKPBSA-N 1 0 460.022 4.007 20 0 JIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849526931 1069124217 /nfs/dbraw/zinc/12/42/17/1069124217.db2.gz IOTZLFVVFULWJX-FGZHOGPDSA-N 1 0 477.012 4.454 20 0 JIADRO CCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527951 1069127477 /nfs/dbraw/zinc/12/74/77/1069127477.db2.gz XXCGDVMRWMCEGE-NMVJMZGASA-N 1 0 467.564 4.157 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000849527987 1069128168 /nfs/dbraw/zinc/12/81/68/1069128168.db2.gz YFWDARLABRMMBH-JIMJEQGWSA-N 1 0 471.605 4.071 20 0 JIADRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC001200640367 1069140779 /nfs/dbraw/zinc/14/07/79/1069140779.db2.gz QMNXONLNOURYHD-OAHLLOKOSA-N 1 0 458.153 4.470 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534388 1069143581 /nfs/dbraw/zinc/14/35/81/1069143581.db2.gz IFWUHPVOQUCBLT-WMQCIHAUSA-N 1 0 451.442 4.393 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534676 1069151698 /nfs/dbraw/zinc/15/16/98/1069151698.db2.gz LPSVKZRKFGISPU-ILBGXUMGSA-N 1 0 450.627 4.131 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300592419 1069159975 /nfs/dbraw/zinc/15/99/75/1069159975.db2.gz UNLWLKHMGREADD-RTBURBONSA-N 1 0 485.032 4.138 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543385 1069173517 /nfs/dbraw/zinc/17/35/17/1069173517.db2.gz RBCHDIJIOSBHIE-AHWVRZQESA-N 1 0 464.654 4.174 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543388 1069174259 /nfs/dbraw/zinc/17/42/59/1069174259.db2.gz RBCHDIJIOSBHIE-RSXGOPAZSA-N 1 0 464.654 4.174 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300599111 1069181447 /nfs/dbraw/zinc/18/14/47/1069181447.db2.gz ZNNZLTYRVCWFNC-RQNQAMLKSA-N 1 0 487.714 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549096 1069186934 /nfs/dbraw/zinc/18/69/34/1069186934.db2.gz RNVMNQNFRXYNCV-KTYLLXISSA-N 1 0 478.662 4.322 20 0 JIADRO CN(Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550467 1069189887 /nfs/dbraw/zinc/18/98/87/1069189887.db2.gz XQNPLDOWHAMGAV-DHIUTWEWSA-N 1 0 485.588 4.113 20 0 JIADRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849551352 1069190711 /nfs/dbraw/zinc/19/07/11/1069190711.db2.gz JBOPJKWPKHBSSP-LEWJYISDSA-N 1 0 460.557 4.095 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549980 1069191109 /nfs/dbraw/zinc/19/11/09/1069191109.db2.gz XDKRAEVQIVCMAV-LEWJYISDSA-N 1 0 460.504 4.077 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555255 1069199671 /nfs/dbraw/zinc/19/96/71/1069199671.db2.gz QNTNMEIHIISREW-VXKWHMMOSA-N 1 0 462.560 4.493 20 0 JIADRO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1 ZINC000849556689 1069204386 /nfs/dbraw/zinc/20/43/86/1069204386.db2.gz CZKNQWAASGBSCN-PKTZIBPZSA-N 1 0 452.624 4.288 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849557512 1069205564 /nfs/dbraw/zinc/20/55/64/1069205564.db2.gz IEVHHKVYUXGHJR-BJKOFHAPSA-N 1 0 451.615 4.392 20 0 JIADRO Cc1sc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562066 1069211862 /nfs/dbraw/zinc/21/18/62/1069211862.db2.gz JCUVFWZOKBNRLE-QZTJIDSGSA-N 1 0 474.428 4.289 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849564726 1069215593 /nfs/dbraw/zinc/21/55/93/1069215593.db2.gz QJEZJUATRATDKE-BPQIPLTHSA-N 1 0 469.577 4.116 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849568482 1069219240 /nfs/dbraw/zinc/21/92/40/1069219240.db2.gz NQELCJVGDSRKAG-LEWJYISDSA-N 1 0 490.530 4.016 20 0 JIADRO CCOc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567557 1069219722 /nfs/dbraw/zinc/21/97/22/1069219722.db2.gz HYDNGBSPMVSLRC-SDHSZQHLSA-N 1 0 467.013 4.413 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001354433383 1069220034 /nfs/dbraw/zinc/22/00/34/1069220034.db2.gz SJHLXPATKTYXQA-MRXNPFEDSA-N 1 0 450.988 4.249 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001354433380 1069220093 /nfs/dbraw/zinc/22/00/93/1069220093.db2.gz SJHLXPATKTYXQA-INIZCTEOSA-N 1 0 450.988 4.249 20 0 JIADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849569795 1069221068 /nfs/dbraw/zinc/22/10/68/1069221068.db2.gz VTXJIIZDDFNISG-ZWKOTPCHSA-N 1 0 492.418 4.204 20 0 JIADRO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571370 1069221798 /nfs/dbraw/zinc/22/17/98/1069221798.db2.gz IEXGVCSDSHZVOL-ISKFKSNPSA-N 1 0 495.668 4.326 20 0 JIADRO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571042 1069223156 /nfs/dbraw/zinc/22/31/56/1069223156.db2.gz GJQVBEXYQGDBRQ-MSOLQXFVSA-N 1 0 473.419 4.005 20 0 JIADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849572040 1069223841 /nfs/dbraw/zinc/22/38/41/1069223841.db2.gz MTKJTAHKJSXJGB-ROUUACIJSA-N 1 0 473.419 4.005 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849573224 1069224187 /nfs/dbraw/zinc/22/41/87/1069224187.db2.gz QCCZQEMBJLMLNG-FHWLQOOXSA-N 1 0 474.474 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849574470 1069224368 /nfs/dbraw/zinc/22/43/68/1069224368.db2.gz WQOVOISBCRNTLA-VQTJNVASSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849579256 1069229563 /nfs/dbraw/zinc/22/95/63/1069229563.db2.gz WLZOMTFUNZZDRT-UXHICEINSA-N 1 0 463.607 4.420 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849580649 1069233433 /nfs/dbraw/zinc/23/34/33/1069233433.db2.gz CDMJTLPFIOROHK-TXPKVOOTSA-N 1 0 460.903 4.446 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581601 1069234170 /nfs/dbraw/zinc/23/41/70/1069234170.db2.gz IAQQMOWKJNKTAE-RTBURBONSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849583087 1069234198 /nfs/dbraw/zinc/23/41/98/1069234198.db2.gz RKFKMVATNWZABY-PCCBWWKXSA-N 1 0 478.468 4.326 20 0 JIADRO CCCC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587872 1069239766 /nfs/dbraw/zinc/23/97/66/1069239766.db2.gz VSPQJOXISBFTLH-XJUOHMSHSA-N 1 0 461.448 4.440 20 0 JIADRO CCN(C(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Cl)C(C)C ZINC000849587937 1069239833 /nfs/dbraw/zinc/23/98/33/1069239833.db2.gz JSEZZJDQGZEARD-IFMALSPDSA-N 1 0 474.049 4.397 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001492576243 1069241215 /nfs/dbraw/zinc/24/12/15/1069241215.db2.gz MIVGXHUBGJDZQN-DEOSSOPVSA-N 1 0 480.701 4.325 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001354467593 1069242097 /nfs/dbraw/zinc/24/20/97/1069242097.db2.gz JNCBFNISBSTNKA-HXUWFJFHSA-N 1 0 457.937 4.302 20 0 JIADRO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849593495 1069244570 /nfs/dbraw/zinc/24/45/70/1069244570.db2.gz UJPZTPJDRHZAER-KAYWLYCHSA-N 1 0 492.620 4.360 20 0 JIADRO CCOc1cc(Br)c(F)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594314 1069245328 /nfs/dbraw/zinc/24/53/28/1069245328.db2.gz GFYQPLWYEAHPLI-JKSUJKDBSA-N 1 0 467.383 4.173 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000849595745 1069249885 /nfs/dbraw/zinc/24/98/85/1069249885.db2.gz KWQSIBKHGPDFIL-IRFCIJBXSA-N 1 0 450.549 4.248 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cn1 ZINC000849597470 1069251874 /nfs/dbraw/zinc/25/18/74/1069251874.db2.gz SSOIGLKCBXFSTL-BVSLBCMMSA-N 1 0 497.640 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849597908 1069254133 /nfs/dbraw/zinc/25/41/33/1069254133.db2.gz WSVADFQDCATJIE-VQTJNVASSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849600325 1069256293 /nfs/dbraw/zinc/25/62/93/1069256293.db2.gz PXZQRYNBWZDAPY-NYVOZVTQSA-N 1 0 459.432 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849599207 1069256356 /nfs/dbraw/zinc/25/63/56/1069256356.db2.gz LSKRCFDQYYGXOC-GOTSBHOMSA-N 1 0 469.630 4.240 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cn1 ZINC000849601470 1069257494 /nfs/dbraw/zinc/25/74/94/1069257494.db2.gz KSBQQNFDRDUTLP-ZEQRLZLVSA-N 1 0 481.641 4.209 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849604589 1069261334 /nfs/dbraw/zinc/26/13/34/1069261334.db2.gz DHSAHHZBMOVFMJ-FCHUYYIVSA-N 1 0 478.559 4.371 20 0 JIADRO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849606238 1069262807 /nfs/dbraw/zinc/26/28/07/1069262807.db2.gz NFKCOJNNCHNXPI-XZOQPEGZSA-N 1 0 469.630 4.206 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849609533 1069265889 /nfs/dbraw/zinc/26/58/89/1069265889.db2.gz CJKFHJMHMXZGGB-AEFFLSMTSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCc1nc(-c3ccncc3)cs1)CCO2 ZINC001200681273 1069267139 /nfs/dbraw/zinc/26/71/39/1069267139.db2.gz GMRFBVNOKAXGJV-IBGZPJMESA-N 1 0 458.628 4.286 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849611334 1069269264 /nfs/dbraw/zinc/26/92/64/1069269264.db2.gz WOSWVCDAHNLVPX-FGZHOGPDSA-N 1 0 473.459 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849610945 1069270526 /nfs/dbraw/zinc/27/05/26/1069270526.db2.gz QSBZVPCTHUWJAH-RJGXRXQPSA-N 1 0 459.034 4.266 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849610760 1069271503 /nfs/dbraw/zinc/27/15/03/1069271503.db2.gz OACJSXUBKQXXSF-MJGOQNOKSA-N 1 0 459.566 4.198 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849613142 1069274190 /nfs/dbraw/zinc/27/41/90/1069274190.db2.gz PFJFBRYHANAZGJ-SJORKVTESA-N 1 0 489.443 4.154 20 0 JIADRO Fc1ccc(NC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1F ZINC001200691415 1069298274 /nfs/dbraw/zinc/29/82/74/1069298274.db2.gz XEDYUXUWNGYSGY-NBGIEHNGSA-N 1 0 472.605 4.307 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC=CCC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300638622 1069299477 /nfs/dbraw/zinc/29/94/77/1069299477.db2.gz YMQPGWYJSQLSER-UHFFFAOYSA-N 1 0 453.631 4.390 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@H]1C ZINC001492591620 1069305118 /nfs/dbraw/zinc/30/51/18/1069305118.db2.gz JIMJZOZPKHAOPO-GOSISDBHSA-N 1 0 471.447 4.475 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300640253 1069305629 /nfs/dbraw/zinc/30/56/29/1069305629.db2.gz VCUYYPZSCMGOTE-JQVVWYNYSA-N 1 0 485.654 4.091 20 0 JIADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc1)C2 ZINC001164401550 718854520 /nfs/dbraw/zinc/85/45/20/718854520.db2.gz BNIKKJORTNNILZ-OYHNWAKOSA-N 1 0 476.980 4.063 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n2)CC1 ZINC001164405016 718864245 /nfs/dbraw/zinc/86/42/45/718864245.db2.gz CEAJDZWNVOZKII-UYAOXDASSA-N 1 0 483.707 4.466 20 0 JIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1 ZINC001164409522 718865819 /nfs/dbraw/zinc/86/58/19/718865819.db2.gz RBHBDWNHORVMOE-PXAZEXFGSA-N 1 0 462.850 4.175 20 0 JIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1 ZINC001164409528 718865825 /nfs/dbraw/zinc/86/58/25/718865825.db2.gz RBHBDWNHORVMOE-YVEFUNNKSA-N 1 0 462.850 4.175 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC4(C3)CCCOC4)c21 ZINC001164413804 718883075 /nfs/dbraw/zinc/88/30/75/718883075.db2.gz NMZVBRARBJWNAL-UHFFFAOYSA-N 1 0 453.970 4.014 20 0 JIADRO FC1(F)CO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164422964 718927256 /nfs/dbraw/zinc/92/72/56/718927256.db2.gz CKRFQMRHCJUKEP-PMACEKPBSA-N 1 0 461.940 4.227 20 0 JIADRO FC1(F)CO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164422966 718927302 /nfs/dbraw/zinc/92/73/02/718927302.db2.gz CKRFQMRHCJUKEP-VQTJNVASSA-N 1 0 461.940 4.227 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC2)CC1 ZINC001164614120 719024724 /nfs/dbraw/zinc/02/47/24/719024724.db2.gz NMVGWXLAHWQPCP-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC2)CC1 ZINC001164618563 719032095 /nfs/dbraw/zinc/03/20/95/719032095.db2.gz UOQFEYZUZWGEMO-UHFFFAOYSA-N 1 0 468.932 4.179 20 0 JIADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625231 719076905 /nfs/dbraw/zinc/07/69/05/719076905.db2.gz NACHKPUZDHRSEH-HSALFYBXSA-N 1 0 452.990 4.280 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625952 719122267 /nfs/dbraw/zinc/12/22/67/719122267.db2.gz ZSDBXKCCCMKPLH-ZHALLVOQSA-N 1 0 457.663 4.315 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CCN(Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650536 719296831 /nfs/dbraw/zinc/29/68/31/719296831.db2.gz IPHPOYHGCOJBTE-RBJSKKJNSA-N 1 0 473.596 4.223 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)CC1 ZINC001164666455 719443150 /nfs/dbraw/zinc/44/31/50/719443150.db2.gz CMAYNKQELQGTJI-RTBURBONSA-N 1 0 469.680 4.171 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)n2)CC1 ZINC001164666454 719444377 /nfs/dbraw/zinc/44/43/77/719444377.db2.gz CMAYNKQELQGTJI-RBUKOAKNSA-N 1 0 469.680 4.171 20 0 JIADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c2c1CC[NH2+]C2 ZINC001164681126 719630288 /nfs/dbraw/zinc/63/02/88/719630288.db2.gz BFOBOQXDMWJXOZ-UHFFFAOYSA-N 1 0 490.128 4.069 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CCCC4)CC2)c2ccccc21 ZINC001164679988 719661476 /nfs/dbraw/zinc/66/14/76/719661476.db2.gz BUBHBIPDGDUHEE-LJQANCHMSA-N 1 0 482.072 4.102 20 0 JIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164680777 719664037 /nfs/dbraw/zinc/66/40/37/719664037.db2.gz IRUIYYLVBVTMRU-SFHVURJKSA-N 1 0 481.044 4.013 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CCCCC4)CC2)c2ccccc21 ZINC001164680398 719666596 /nfs/dbraw/zinc/66/65/96/719666596.db2.gz DNDNTXWEBYGRPQ-HXUWFJFHSA-N 1 0 496.099 4.492 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164685579 719667765 /nfs/dbraw/zinc/66/77/65/719667765.db2.gz VMQDZSDNOUYSHS-JOCHJYFZSA-N 1 0 492.664 4.130 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@@H](F)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164684180 719668166 /nfs/dbraw/zinc/66/81/66/719668166.db2.gz SLIXLTJNVNKALW-NTKDMRAZSA-N 1 0 459.009 4.292 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4c(F)cccc43)CC2)c2ccccc21 ZINC001164681507 719671087 /nfs/dbraw/zinc/67/10/87/719671087.db2.gz MFESCHNMKZMQLH-HXUWFJFHSA-N 1 0 460.597 4.467 20 0 JIADRO Cc1cc(Cl)c(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681465 719673499 /nfs/dbraw/zinc/67/34/99/719673499.db2.gz LBFNEIBFTDCDDC-HXUWFJFHSA-N 1 0 455.046 4.445 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(n3)-c3ccccc3CC4)CC2)c2ccccc21 ZINC001164685932 719675084 /nfs/dbraw/zinc/67/50/84/719675084.db2.gz WFZAJBJVRCYNPG-XMMPIXPASA-N 1 0 495.671 4.336 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4nccc(Cl)c4n3)CC2)c2ccccc21 ZINC001164686842 719675167 /nfs/dbraw/zinc/67/51/67/719675167.db2.gz XPEMTKLHKNXZMQ-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO CC(C)n1ccc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680364 719676805 /nfs/dbraw/zinc/67/68/05/719676805.db2.gz DCECLHAINNDIOW-NRFANRHFSA-N 1 0 474.653 4.106 20 0 JIADRO COc1cccc(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)c1 ZINC001164682756 719677528 /nfs/dbraw/zinc/67/75/28/719677528.db2.gz POJSMXPPHBOKOC-HSZRJFAPSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(Cc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680410 719679151 /nfs/dbraw/zinc/67/91/51/719679151.db2.gz DVIMOXRGEICOAE-DEOSSOPVSA-N 1 0 483.660 4.161 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164680876 719679277 /nfs/dbraw/zinc/67/92/77/719679277.db2.gz IINGVIGFVSCAGI-KRWDZBQOSA-N 1 0 490.479 4.439 20 0 JIADRO CCCSc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680457 719679469 /nfs/dbraw/zinc/67/94/69/719679469.db2.gz FLLAHWSJUBIFGH-HXUWFJFHSA-N 1 0 467.683 4.072 20 0 JIADRO Cc1cc2cccnc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682897 719679993 /nfs/dbraw/zinc/67/99/93/719679993.db2.gz DNHVBSHMMMTUKM-JOCHJYFZSA-N 1 0 457.622 4.032 20 0 JIADRO CSc1ccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164687383 719681733 /nfs/dbraw/zinc/68/17/33/719681733.db2.gz SGXABPZENRIQDS-HXUWFJFHSA-N 1 0 489.689 4.445 20 0 JIADRO CCc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)nc1C ZINC001164687717 719683105 /nfs/dbraw/zinc/68/31/05/719683105.db2.gz UKBLEVYVQPFDOF-LJQANCHMSA-N 1 0 470.061 4.094 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CC2 ZINC001164683859 719715443 /nfs/dbraw/zinc/71/54/43/719715443.db2.gz LJJQLGCCHSVWNF-UHFFFAOYSA-N 1 0 457.352 4.267 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691959 719809868 /nfs/dbraw/zinc/80/98/68/719809868.db2.gz BYJGFQUPVJMJOX-UHFFFAOYSA-N 1 0 470.426 4.360 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccc(N5CCOCC5)cc4)nn2)CC3)cs1 ZINC001164693107 719815717 /nfs/dbraw/zinc/81/57/17/719815717.db2.gz UTHHAJQRSZMAOL-UHFFFAOYSA-N 1 0 490.677 4.380 20 0 JIADRO O=C(c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1)N1CCCCC1 ZINC001164695298 719888418 /nfs/dbraw/zinc/88/84/18/719888418.db2.gz MGIXENFRFCEJKC-UHFFFAOYSA-N 1 0 475.058 4.294 20 0 JIADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696193 719894473 /nfs/dbraw/zinc/89/44/73/719894473.db2.gz BFVLTMNYSDJAPL-UHFFFAOYSA-N 1 0 465.957 4.156 20 0 JIADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699169 719894799 /nfs/dbraw/zinc/89/47/99/719894799.db2.gz XVOLLIDAEWNPND-UHFFFAOYSA-N 1 0 463.047 4.196 20 0 JIADRO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164705898 719899496 /nfs/dbraw/zinc/89/94/96/719899496.db2.gz FMRSYPXJQRGQQR-UHFFFAOYSA-N 1 0 463.603 4.372 20 0 JIADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H]2CCCO[C@@H]12 ZINC001164710719 720062771 /nfs/dbraw/zinc/06/27/71/720062771.db2.gz GELUBIUJSBHRTN-PQNGQFLHSA-N 1 0 498.023 4.169 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164710060 720094192 /nfs/dbraw/zinc/09/41/92/720094192.db2.gz GLZRTJLOAJIJKV-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164710059 720094647 /nfs/dbraw/zinc/09/46/47/720094647.db2.gz GLZRTJLOAJIJKV-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164710632 720098907 /nfs/dbraw/zinc/09/89/07/720098907.db2.gz KIRMUNBWSJTPLP-INIZCTEOSA-N 1 0 472.367 4.231 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164715535 720113920 /nfs/dbraw/zinc/11/39/20/720113920.db2.gz HMLLIRTWMOWYQH-SFHVURJKSA-N 1 0 455.653 4.316 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812611 720116252 /nfs/dbraw/zinc/11/62/52/720116252.db2.gz PJEXWCCTTDMBGA-CLOONOSVSA-N 1 0 472.992 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164715516 720119116 /nfs/dbraw/zinc/11/91/16/720119116.db2.gz GWVLFROSIZSPMZ-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164718107 720122991 /nfs/dbraw/zinc/12/29/91/720122991.db2.gz RTEVWRVHAILNAG-FQEVSTJZSA-N 1 0 486.060 4.166 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164716095 720124421 /nfs/dbraw/zinc/12/44/21/720124421.db2.gz IUZPPHOQZWZVPT-LJQANCHMSA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164712714 720145290 /nfs/dbraw/zinc/14/52/90/720145290.db2.gz OOZYVKSMIZTRBM-QHCPKHFHSA-N 1 0 498.071 4.310 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164712077 720146310 /nfs/dbraw/zinc/14/63/10/720146310.db2.gz KKWOOJXUXVYUIQ-AREMUKBSSA-N 1 0 486.616 4.341 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164711242 720147155 /nfs/dbraw/zinc/14/71/55/720147155.db2.gz GJNXHNUKYBHJDD-QFIPXVFZSA-N 1 0 463.557 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164714402 720151529 /nfs/dbraw/zinc/15/15/29/720151529.db2.gz XDBVXROORZUURJ-NRFANRHFSA-N 1 0 464.639 4.119 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711357 720155199 /nfs/dbraw/zinc/15/51/99/720155199.db2.gz BDMYHOGCUXUJQL-KRWDZBQOSA-N 1 0 450.414 4.248 20 0 JIADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715438 720174327 /nfs/dbraw/zinc/17/43/27/720174327.db2.gz CCRIRTWJFFXRPQ-HHHXNRCGSA-N 1 0 495.631 4.155 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816632 720188682 /nfs/dbraw/zinc/18/86/82/720188682.db2.gz LXLJXYVFESXHNS-CUBQBAPOSA-N 1 0 461.654 4.319 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CCC2 ZINC001164814080 720219822 /nfs/dbraw/zinc/21/98/22/720219822.db2.gz SEACFUKWCKYZAQ-UHFFFAOYSA-N 1 0 461.944 4.240 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164828974 720327301 /nfs/dbraw/zinc/32/73/01/720327301.db2.gz KYNRQGYDEVKZKH-VQTJNVASSA-N 1 0 489.998 4.253 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828457 720328024 /nfs/dbraw/zinc/32/80/24/720328024.db2.gz JPZSCBIPSDKPCY-MOPGFXCFSA-N 1 0 477.436 4.462 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164828475 720328812 /nfs/dbraw/zinc/32/88/12/720328812.db2.gz JTDPLERWVJMFCY-RTWAWAEBSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164831173 720339073 /nfs/dbraw/zinc/33/90/73/720339073.db2.gz XXVFVDQUZCUZHM-JWQCQUIFSA-N 1 0 473.596 4.347 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001164822260 720346839 /nfs/dbraw/zinc/34/68/39/720346839.db2.gz CXVWITAODUELJN-VQTJNVASSA-N 1 0 486.085 4.259 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164822321 720349627 /nfs/dbraw/zinc/34/96/27/720349627.db2.gz DHNFNSNPGYAPQP-OALUTQOASA-N 1 0 463.960 4.132 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001164823523 720351536 /nfs/dbraw/zinc/35/15/36/720351536.db2.gz GSJOOEMHTCWHNK-RRPNLBNLSA-N 1 0 485.632 4.120 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164829250 720352414 /nfs/dbraw/zinc/35/24/14/720352414.db2.gz QYWXWAPHOQMZRH-WOJBJXKFSA-N 1 0 490.435 4.487 20 0 JIADRO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728320 720407134 /nfs/dbraw/zinc/40/71/34/720407134.db2.gz SYHYWXJMECPMPI-PMACEKPBSA-N 1 0 471.989 4.114 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)C1 ZINC001164732727 720510250 /nfs/dbraw/zinc/51/02/50/720510250.db2.gz WCEPWIDBGVLWMJ-INIZCTEOSA-N 1 0 450.949 4.484 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)C1 ZINC001164726165 720518095 /nfs/dbraw/zinc/51/80/95/720518095.db2.gz BBAGXLNFQJZMDT-MRXNPFEDSA-N 1 0 450.949 4.484 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838476 720518102 /nfs/dbraw/zinc/51/81/02/720518102.db2.gz RIOVFRFOGFVMFZ-PLMTUMEDSA-N 1 0 460.960 4.402 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1Cl ZINC001164841321 720522076 /nfs/dbraw/zinc/52/20/76/720522076.db2.gz YHHRERDSIAWJJX-XYJFISCASA-N 1 0 466.413 4.139 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@@H]21 ZINC001164835216 720524235 /nfs/dbraw/zinc/52/42/35/720524235.db2.gz JCNSFUHOJCKSQP-FKBYEOEOSA-N 1 0 491.043 4.102 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]21 ZINC001164834655 720536793 /nfs/dbraw/zinc/53/67/93/720536793.db2.gz FOICHAZWSFZKBO-MDKPJZGXSA-N 1 0 460.960 4.402 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839002 720537227 /nfs/dbraw/zinc/53/72/27/720537227.db2.gz PMAHWZFSGUYHDV-LVCYWYKZSA-N 1 0 483.016 4.034 20 0 JIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164736475 720580217 /nfs/dbraw/zinc/58/02/17/720580217.db2.gz LAVNNHMSPWWUNO-UHFFFAOYSA-N 1 0 491.709 4.021 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164842695 720599775 /nfs/dbraw/zinc/59/97/75/720599775.db2.gz VFYNZXLDRZPIHN-HSALFYBXSA-N 1 0 482.654 4.059 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC[C@@H]21 ZINC001164843116 720616904 /nfs/dbraw/zinc/61/69/04/720616904.db2.gz WKMWKEBSVQYEDJ-BJLQDIEVSA-N 1 0 487.986 4.311 20 0 JIADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837228 720633567 /nfs/dbraw/zinc/63/35/67/720633567.db2.gz HRXGCGGTJZXOEB-AWRGLXIESA-N 1 0 462.598 4.160 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843598 720636216 /nfs/dbraw/zinc/63/62/16/720636216.db2.gz YKKWCGBFYUSHJO-SVFBPWRDSA-N 1 0 460.022 4.265 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC[C@@H]21 ZINC001164843596 720637014 /nfs/dbraw/zinc/63/70/14/720637014.db2.gz YKKWCGBFYUSHJO-DYXWJJEUSA-N 1 0 460.022 4.265 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@@H]21 ZINC001164840150 720638054 /nfs/dbraw/zinc/63/80/54/720638054.db2.gz PDOJPPKSGXHBIX-PMVMPFDFSA-N 1 0 467.017 4.283 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840385 720704716 /nfs/dbraw/zinc/70/47/16/720704716.db2.gz QGEOKPOVSSTEJJ-RUZDIDTESA-N 1 0 457.622 4.470 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164837669 720713664 /nfs/dbraw/zinc/71/36/64/720713664.db2.gz GCPRMLACCFUQTP-GOSISDBHSA-N 1 0 462.972 4.424 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CCCC(=O)N4)CC3)c21 ZINC001164836360 720733002 /nfs/dbraw/zinc/73/30/02/720733002.db2.gz DRLLBLCKEVXWHI-UHFFFAOYSA-N 1 0 495.023 4.036 20 0 JIADRO Clc1ccc(OC(Cl)(Cl)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cn1 ZINC001164842126 720743874 /nfs/dbraw/zinc/74/38/74/720743874.db2.gz CSIOLQIIPAPUCY-UHFFFAOYSA-N 1 0 479.799 4.056 20 0 JIADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745379 720758034 /nfs/dbraw/zinc/75/80/34/720758034.db2.gz VIJJCIARLVMBSO-ZWKOTPCHSA-N 1 0 464.982 4.144 20 0 JIADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164737459 720781150 /nfs/dbraw/zinc/78/11/50/720781150.db2.gz BTODHSZFQGOKBE-UXHICEINSA-N 1 0 456.575 4.004 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849577 720781027 /nfs/dbraw/zinc/78/10/27/720781027.db2.gz UGXYTLMNWVMCQQ-PUHATCMVSA-N 1 0 490.982 4.395 20 0 JIADRO c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)c1 ZINC001164746780 720819701 /nfs/dbraw/zinc/81/97/01/720819701.db2.gz ZDCOMNZRRWJMND-CMKODMSKSA-N 1 0 477.663 4.391 20 0 JIADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164749304 720845532 /nfs/dbraw/zinc/84/55/32/720845532.db2.gz VPUKJXHRITWMSQ-KJXAQDMKSA-N 1 0 489.624 4.468 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164743886 720854902 /nfs/dbraw/zinc/85/49/02/720854902.db2.gz ARZGMJFUVSVLHP-XDIPAPSNSA-N 1 0 498.679 4.105 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@H]2C1 ZINC001164853500 720856048 /nfs/dbraw/zinc/85/60/48/720856048.db2.gz GVHOGRASFALCQI-GOTSBHOMSA-N 1 0 480.012 4.033 20 0 JIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164753047 720857495 /nfs/dbraw/zinc/85/74/95/720857495.db2.gz VOPBEMOALAZERA-KCZVDYSFSA-N 1 0 456.038 4.149 20 0 JIADRO Fc1ccc(F)c2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750396 720859638 /nfs/dbraw/zinc/85/96/38/720859638.db2.gz PQPATYOAYSITCE-JTDSTZFVSA-N 1 0 458.944 4.137 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749630 720861046 /nfs/dbraw/zinc/86/10/46/720861046.db2.gz NWOHBITYNPDTJA-SLYNCCJLSA-N 1 0 462.976 4.128 20 0 JIADRO COc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164749024 720868811 /nfs/dbraw/zinc/86/88/11/720868811.db2.gz GGNXCVGBHIHBJH-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO FC(F)(c1cccc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755776 720870542 /nfs/dbraw/zinc/87/05/42/720870542.db2.gz YXHYLCFHQNUGED-NZQKXSOJSA-N 1 0 462.972 4.430 20 0 JIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752380 720874666 /nfs/dbraw/zinc/87/46/66/720874666.db2.gz MSIULSNFHFYHDO-GCJKJVERSA-N 1 0 498.405 4.478 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@H]2C1 ZINC001164862959 720875469 /nfs/dbraw/zinc/87/54/69/720875469.db2.gz SEJXIPWBOJSZQE-PXNSSMCTSA-N 1 0 459.015 4.185 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164858327 720876433 /nfs/dbraw/zinc/87/64/33/720876433.db2.gz KRWFAKQBCNTUIF-WMZOPIPTSA-N 1 0 470.664 4.082 20 0 JIADRO Clc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755480 720877711 /nfs/dbraw/zinc/87/77/11/720877711.db2.gz XOWVJBHPSFADGT-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750100 720878814 /nfs/dbraw/zinc/87/88/14/720878814.db2.gz ITJKOGBQNBZLCT-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO COc1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753002 720880249 /nfs/dbraw/zinc/88/02/49/720880249.db2.gz OGEQSJUNRXHQQF-CUBQBAPOSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CCC2 ZINC001164751686 720880989 /nfs/dbraw/zinc/88/09/89/720880989.db2.gz LXNHDDCVBHZWOW-QFQXNSOFSA-N 1 0 453.030 4.374 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753220 720883069 /nfs/dbraw/zinc/88/30/69/720883069.db2.gz GDEQKFUBUPHRJN-UFHPHHKVSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164757492 720884134 /nfs/dbraw/zinc/88/41/34/720884134.db2.gz VETTWNJGPQRGLB-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cnc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753500 720886083 /nfs/dbraw/zinc/88/60/83/720886083.db2.gz HDAVLHCEMNQWIR-GJZUVCINSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c1CCCC2 ZINC001164758196 720886391 /nfs/dbraw/zinc/88/63/91/720886391.db2.gz XOENGIHWLLFDKR-LVXARBLLSA-N 1 0 468.045 4.159 20 0 JIADRO c1ccc(COc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751812 720888991 /nfs/dbraw/zinc/88/89/91/720888991.db2.gz DTKMUWXCYXQVBZ-WNJJXGMVSA-N 1 0 485.632 4.206 20 0 JIADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756272 720891251 /nfs/dbraw/zinc/89/12/51/720891251.db2.gz OZWJJKOXNQDKSM-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO Clc1ccc(CN2CCCC2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757482 720894447 /nfs/dbraw/zinc/89/44/47/720894447.db2.gz VDASGNZTEFDHRS-NAKRPHOHSA-N 1 0 496.099 4.481 20 0 JIADRO COc1ccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755406 720895716 /nfs/dbraw/zinc/89/57/16/720895716.db2.gz LWDKWXRLLYJKTN-YWEHKCAJSA-N 1 0 458.606 4.394 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753986 720902294 /nfs/dbraw/zinc/90/22/94/720902294.db2.gz IBLCTOLUHGCRJF-FREGXXQWSA-N 1 0 498.675 4.360 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)nc2c1 ZINC001164748418 720918764 /nfs/dbraw/zinc/91/87/64/720918764.db2.gz GACOEYGHJLUDBZ-NEKDWFFYSA-N 1 0 473.621 4.097 20 0 JIADRO COc1cc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752073 720919476 /nfs/dbraw/zinc/91/94/76/720919476.db2.gz NAPBWHROHOZRSC-IRPSRAIASA-N 1 0 488.632 4.402 20 0 JIADRO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)s1 ZINC001164750081 720926653 /nfs/dbraw/zinc/92/66/53/720926653.db2.gz JAZGFTHSABRVEM-KCWPFWIISA-N 1 0 490.677 4.367 20 0 JIADRO c1ccc(Oc2nccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164747788 720928165 /nfs/dbraw/zinc/92/81/65/720928165.db2.gz DIHFTZSMOJONQO-YWEHKCAJSA-N 1 0 471.605 4.419 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752142 720929029 /nfs/dbraw/zinc/92/90/29/720929029.db2.gz NHEUPNGHRKMJEV-LBNVMWSVSA-N 1 0 462.638 4.301 20 0 JIADRO CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747841 720931746 /nfs/dbraw/zinc/93/17/46/720931746.db2.gz DMXRNRHPUALKKI-OFVILXPXSA-N 1 0 456.034 4.404 20 0 JIADRO COc1cc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749994 720932667 /nfs/dbraw/zinc/93/26/67/720932667.db2.gz IRCXSRXRYGVUFT-MUAVYFROSA-N 1 0 488.632 4.402 20 0 JIADRO COc1cc(C)c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755075 720940650 /nfs/dbraw/zinc/94/06/50/720940650.db2.gz YDHKPHZTNMNZRX-QDPGVEIFSA-N 1 0 473.621 4.097 20 0 JIADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164754315 720966029 /nfs/dbraw/zinc/96/60/29/720966029.db2.gz PONSRVQVRABFRB-UHFFFAOYSA-N 1 0 488.617 4.078 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868929 721067176 /nfs/dbraw/zinc/06/71/76/721067176.db2.gz RGOZJAUNARFNJE-LADGPHEKSA-N 1 0 485.563 4.319 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164763627 721093948 /nfs/dbraw/zinc/09/39/48/721093948.db2.gz GHNPOFBULHDOPR-CABCVRRESA-N 1 0 467.351 4.173 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880926 721127993 /nfs/dbraw/zinc/12/79/93/721127993.db2.gz XPCUXYFPTBDBEQ-JTHBVZDNSA-N 1 0 450.970 4.189 20 0 JIADRO c1ccc(Cc2nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc23)cc1 ZINC001164871618 721136517 /nfs/dbraw/zinc/13/65/17/721136517.db2.gz FYHVGZYPQOOGBK-DNQXCXABSA-N 1 0 451.574 4.095 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164771321 721142095 /nfs/dbraw/zinc/14/20/95/721142095.db2.gz SAAVVMUXXYQOBN-LSDHHAIUSA-N 1 0 467.351 4.173 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762745 721167251 /nfs/dbraw/zinc/16/72/51/721167251.db2.gz DPERARMCLWTUCJ-OALUTQOASA-N 1 0 498.002 4.410 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867817 721184559 /nfs/dbraw/zinc/18/45/59/721184559.db2.gz IIGAFUISFNTZTA-IRLDBZIGSA-N 1 0 465.985 4.359 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879857 721184973 /nfs/dbraw/zinc/18/49/73/721184973.db2.gz URHGMWAASVJZPO-PMACEKPBSA-N 1 0 451.958 4.105 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881187 721185135 /nfs/dbraw/zinc/18/51/35/721185135.db2.gz ZOAVBJJRCJAPIN-CTNGQTDRSA-N 1 0 451.958 4.105 20 0 JIADRO CSCc1nc2sc3c(c2c(N2C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCC3 ZINC001164770093 721202587 /nfs/dbraw/zinc/20/25/87/721202587.db2.gz MZMDVYIMDNBOKG-QZTJIDSGSA-N 1 0 468.696 4.125 20 0 JIADRO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164878375 721244616 /nfs/dbraw/zinc/24/46/16/721244616.db2.gz UQCUXJPHRPDZAH-HNNXBMFYSA-N 1 0 463.960 4.361 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164879721 721247702 /nfs/dbraw/zinc/24/77/02/721247702.db2.gz YDNJAJYCQSBQHX-URORMMCBSA-N 1 0 456.590 4.240 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164759777 721247712 /nfs/dbraw/zinc/24/77/12/721247712.db2.gz BQZVATRJFIWLCR-ROUUACIJSA-N 1 0 476.934 4.173 20 0 JIADRO Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164879698 721288052 /nfs/dbraw/zinc/28/80/52/721288052.db2.gz ZQNBPNYLTGBHJT-UHFFFAOYSA-N 1 0 499.659 4.126 20 0 JIADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775071 721302257 /nfs/dbraw/zinc/30/22/57/721302257.db2.gz NZSOPZBJRBIYME-UHFFFAOYSA-N 1 0 450.917 4.056 20 0 JIADRO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c(C)cc2c1 ZINC001164778427 721332416 /nfs/dbraw/zinc/33/24/16/721332416.db2.gz WGGWMPVBNSGEPW-SANMLTNESA-N 1 0 450.583 4.276 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccc(F)c43)C2)C1 ZINC001164776223 721344800 /nfs/dbraw/zinc/34/48/00/721344800.db2.gz ALYIWDRDGRRUAE-QHCPKHFHSA-N 1 0 459.953 4.146 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4ccccc43)C2)C1 ZINC001164785308 721366490 /nfs/dbraw/zinc/36/64/90/721366490.db2.gz UIMHHGLWSIUXFO-NDEPHWFRSA-N 1 0 484.604 4.416 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164780300 721372122 /nfs/dbraw/zinc/37/21/22/721372122.db2.gz FUVVCLZTNVJMEZ-SANMLTNESA-N 1 0 490.633 4.477 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164894444 721398477 /nfs/dbraw/zinc/39/84/77/721398477.db2.gz YBQXNFZACRDESC-OYHNWAKOSA-N 1 0 484.859 4.355 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890544 721398611 /nfs/dbraw/zinc/39/86/11/721398611.db2.gz NZNFYJOOPUIXAF-YJYMSZOUSA-N 1 0 468.256 4.461 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889439 721405129 /nfs/dbraw/zinc/40/51/29/721405129.db2.gz QNIDVQILSHVVLL-REWPJTCUSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885723 721419823 /nfs/dbraw/zinc/41/98/23/721419823.db2.gz HBUMESHUSXEVER-XXBNENTESA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894894 721428321 /nfs/dbraw/zinc/42/83/21/721428321.db2.gz MZRGFCJQTSIDEZ-GJZUVCINSA-N 1 0 471.045 4.079 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(-c5ccc(F)cc5)c5ccccc54)C3)O2)CC1 ZINC001164897761 721434949 /nfs/dbraw/zinc/43/49/49/721434949.db2.gz UPQLJUHTADVLHZ-QDPGVEIFSA-N 1 0 475.612 4.201 20 0 JIADRO Cc1sc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1-c1ccccc1 ZINC001164893832 721435006 /nfs/dbraw/zinc/43/50/06/721435006.db2.gz KVLNIVIJBSRLFS-AJTFRIOCSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898795 721441982 /nfs/dbraw/zinc/44/19/82/721441982.db2.gz XHFAUPOCWRZORY-NZQKXSOJSA-N 1 0 464.988 4.199 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164781540 721442446 /nfs/dbraw/zinc/44/24/46/721442446.db2.gz GEFSVPJSLOMCFP-RPBOFIJWSA-N 1 0 460.626 4.468 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164783249 721450761 /nfs/dbraw/zinc/45/07/61/721450761.db2.gz ATMIXWSMOSUOKB-MRXNPFEDSA-N 1 0 479.399 4.062 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164890333 721451028 /nfs/dbraw/zinc/45/10/28/721451028.db2.gz QXNBJDUZVGNMDJ-GJZUVCINSA-N 1 0 486.060 4.250 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164786018 721451936 /nfs/dbraw/zinc/45/19/36/721451936.db2.gz MANDNBAMPOZRJP-MRXNPFEDSA-N 1 0 479.399 4.062 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164785258 721454082 /nfs/dbraw/zinc/45/40/82/721454082.db2.gz HXRGFRLITJPICR-JOCHJYFZSA-N 1 0 452.599 4.003 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164786662 721460049 /nfs/dbraw/zinc/46/00/49/721460049.db2.gz PBMCXXVBSIILPI-FQEVSTJZSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164782753 721464091 /nfs/dbraw/zinc/46/40/91/721464091.db2.gz BJDQLJAXQJOKQB-QFIPXVFZSA-N 1 0 470.589 4.142 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164782751 721464110 /nfs/dbraw/zinc/46/41/10/721464110.db2.gz BJDQLJAXQJOKQB-JOCHJYFZSA-N 1 0 470.589 4.142 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164788807 721471655 /nfs/dbraw/zinc/47/16/55/721471655.db2.gz LHJXIXCFPUSNQK-FQEVSTJZSA-N 1 0 451.055 4.296 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164790679 721471732 /nfs/dbraw/zinc/47/17/32/721471732.db2.gz USSMZDGDDOFBLW-QHCPKHFHSA-N 1 0 454.590 4.017 20 0 JIADRO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2N1C1CCCC1 ZINC001164792493 721495169 /nfs/dbraw/zinc/49/51/69/721495169.db2.gz PTSUTTZQLDIMAU-DEOSSOPVSA-N 1 0 489.668 4.232 20 0 JIADRO COC(=O)c1cc2c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH]c(Cl)cc-2n1 ZINC001164795464 721498138 /nfs/dbraw/zinc/49/81/38/721498138.db2.gz HXVFDSVVSIOFAS-UHFFFAOYSA-N 1 0 453.974 4.279 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796672 721500346 /nfs/dbraw/zinc/50/03/46/721500346.db2.gz VBSVSQAUTTYDRJ-UHFFFAOYSA-N 1 0 464.944 4.343 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4cccc(F)c4)c2)CC3)CC1 ZINC001164794573 721520512 /nfs/dbraw/zinc/52/05/12/721520512.db2.gz GBSFBJZYOWSOLH-UHFFFAOYSA-N 1 0 490.961 4.050 20 0 JIADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164907745 721537925 /nfs/dbraw/zinc/53/79/25/721537925.db2.gz OGUWFGPJWMBRLE-GMAHTHKFSA-N 1 0 461.516 4.100 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909877 721566136 /nfs/dbraw/zinc/56/61/36/721566136.db2.gz VBILYIBXBXNJQO-IEBWSBKVSA-N 1 0 470.932 4.412 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164811874 721585136 /nfs/dbraw/zinc/58/51/36/721585136.db2.gz YTVGEGJJJQTEBQ-TXTKFYIRSA-N 1 0 474.590 4.123 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904899 721585416 /nfs/dbraw/zinc/58/54/16/721585416.db2.gz HNMLENJFOLFZNZ-JOCHJYFZSA-N 1 0 464.944 4.353 20 0 JIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905435 721586016 /nfs/dbraw/zinc/58/60/16/721586016.db2.gz JDXBTJKLJNDLMV-QGZVFWFLSA-N 1 0 464.294 4.461 20 0 JIADRO FC1(F)CCN(c2nccnc2C2SCCCS2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907940 721696282 /nfs/dbraw/zinc/69/62/82/721696282.db2.gz WYTMQPBBHRJTNA-NRFANRHFSA-N 1 0 463.623 4.478 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164907844 721701893 /nfs/dbraw/zinc/70/18/93/721701893.db2.gz VDGGTARLDMJXES-FQEVSTJZSA-N 1 0 486.897 4.199 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904954 721702995 /nfs/dbraw/zinc/70/29/95/721702995.db2.gz FWHPPMVCAWJNLP-JOCHJYFZSA-N 1 0 459.928 4.425 20 0 JIADRO CCOC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905620 721718382 /nfs/dbraw/zinc/71/83/82/721718382.db2.gz IBTQOILOVAIWSN-OAQYLSRUSA-N 1 0 450.917 4.044 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906639 721721020 /nfs/dbraw/zinc/72/10/20/721721020.db2.gz NLOJOODNSVLIOM-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO COc1cc2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913850 721727359 /nfs/dbraw/zinc/72/73/59/721727359.db2.gz YYDVNOUBDPTILY-DEOSSOPVSA-N 1 0 454.521 4.385 20 0 JIADRO O=C1N(c2cccnc2)CC[C@]12CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H]2c1ccccc1 ZINC001164913127 721741460 /nfs/dbraw/zinc/74/14/60/721741460.db2.gz UCPJORIVJXHDCM-LBNVMWSVSA-N 1 0 453.590 4.100 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165027724 721799893 /nfs/dbraw/zinc/79/98/93/721799893.db2.gz XONWILIWWYTTMY-DFQSSKMNSA-N 1 0 465.623 4.308 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165020383 721806030 /nfs/dbraw/zinc/80/60/30/721806030.db2.gz FLYAWYHCFGIKGT-KFKAGJAMSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024909 721809220 /nfs/dbraw/zinc/80/92/20/721809220.db2.gz LBVUPJWJFIZHRC-ZAAXVRCTSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@@H]21 ZINC001165026214 721811402 /nfs/dbraw/zinc/81/14/02/721811402.db2.gz PNSLRNHIUPPEFR-GFOJFJKKSA-N 1 0 482.032 4.311 20 0 JIADRO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165023543 721813139 /nfs/dbraw/zinc/81/31/39/721813139.db2.gz HTUCCMBMYOITSY-DJPFJPOOSA-N 1 0 468.001 4.432 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C[C@@H]21 ZINC001165026202 721815283 /nfs/dbraw/zinc/81/52/83/721815283.db2.gz PMYVOPFLYVBJFM-DZFGPLHGSA-N 1 0 456.034 4.395 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019919 721819521 /nfs/dbraw/zinc/81/95/21/721819521.db2.gz CBZFTBAXXRQUDC-PMWMKWCKSA-N 1 0 472.637 4.148 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020678 721819531 /nfs/dbraw/zinc/81/95/31/721819531.db2.gz CJDAMXOUYSGEPS-XZDHIHRUSA-N 1 0 495.668 4.490 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)C[C@H]21 ZINC001165030473 721822182 /nfs/dbraw/zinc/82/21/82/721822182.db2.gz ZGHHJNUWVKZBII-YFVAEKQCSA-N 1 0 477.613 4.437 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025334 721823576 /nfs/dbraw/zinc/82/35/76/721823576.db2.gz MSRKGRWTJPHWCO-CVAIRZPRSA-N 1 0 464.944 4.198 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001165021986 721841507 /nfs/dbraw/zinc/84/15/07/721841507.db2.gz LEFBJWKLAUGCJW-UHFFFAOYSA-N 1 0 459.034 4.449 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3nc(C(C)C)no3)ccn2)CC1 ZINC001165030289 721844406 /nfs/dbraw/zinc/84/44/06/721844406.db2.gz HCJOFVKTAYOJJL-UHFFFAOYSA-N 1 0 451.571 4.373 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164927415 721868066 /nfs/dbraw/zinc/86/80/66/721868066.db2.gz VEQUWFALXLWKLH-PKTZIBPZSA-N 1 0 452.002 4.173 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165037182 721900013 /nfs/dbraw/zinc/90/00/13/721900013.db2.gz KUCABRYEPSPFBR-PKTZIBPZSA-N 1 0 464.654 4.340 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164941010 721926196 /nfs/dbraw/zinc/92/61/96/721926196.db2.gz YSIUDCMNWWCOIO-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2s1 ZINC001164940749 721928901 /nfs/dbraw/zinc/92/89/01/721928901.db2.gz ZZKOYNMFXWHKGU-UHFFFAOYSA-N 1 0 466.607 4.048 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nn2)c(OC)c1 ZINC001164940259 721931894 /nfs/dbraw/zinc/93/18/94/721931894.db2.gz UKUOYSZXKQTZDG-UHFFFAOYSA-N 1 0 474.605 4.341 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164950857 721998874 /nfs/dbraw/zinc/99/88/74/721998874.db2.gz KTPCEOAYZJMFOZ-UHFFFAOYSA-N 1 0 486.954 4.237 20 0 JIADRO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164951041 722006989 /nfs/dbraw/zinc/00/69/89/722006989.db2.gz GDBQZVKFJAIKTL-UHFFFAOYSA-N 1 0 497.668 4.220 20 0 JIADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055390 722014982 /nfs/dbraw/zinc/01/49/82/722014982.db2.gz HVSLYNJCOIXBHE-UHFFFAOYSA-N 1 0 473.097 4.157 20 0 JIADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)n1 ZINC001164956237 722021288 /nfs/dbraw/zinc/02/12/88/722021288.db2.gz ZOXSYKSQRSMWSM-UHFFFAOYSA-N 1 0 464.944 4.344 20 0 JIADRO Clc1cnc2cc(Cl)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2n1 ZINC001164963092 722055025 /nfs/dbraw/zinc/05/50/25/722055025.db2.gz HBHJQTCDZWYTEO-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO Fc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2cc1F ZINC001164962194 722055283 /nfs/dbraw/zinc/05/52/83/722055283.db2.gz BEANLTSOCLHVRK-UHFFFAOYSA-N 1 0 459.928 4.075 20 0 JIADRO c1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)nc1 ZINC001164961768 722059686 /nfs/dbraw/zinc/05/96/86/722059686.db2.gz PCNXUMWJKJXABC-UHFFFAOYSA-N 1 0 466.589 4.206 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966705 722062006 /nfs/dbraw/zinc/06/20/06/722062006.db2.gz XALVKASIMZSAAM-UHFFFAOYSA-N 1 0 473.351 4.327 20 0 JIADRO FC(F)(N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164965911 722062484 /nfs/dbraw/zinc/06/24/84/722062484.db2.gz MFVQOHYALFZRGV-UHFFFAOYSA-N 1 0 462.972 4.369 20 0 JIADRO c1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164975117 722110949 /nfs/dbraw/zinc/11/09/49/722110949.db2.gz JSMQHQUQMONWQW-OZXSUGGESA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc(-c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc3ccccc32)cc1 ZINC001164982550 722114412 /nfs/dbraw/zinc/11/44/12/722114412.db2.gz XEFILISJBJVRDC-BVAGGSTKSA-N 1 0 451.574 4.419 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978941 722141454 /nfs/dbraw/zinc/14/14/54/722141454.db2.gz LCLCFRBCERBWMZ-XZOQPEGZSA-N 1 0 494.709 4.272 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978939 722141681 /nfs/dbraw/zinc/14/16/81/722141681.db2.gz LCLCFRBCERBWMZ-GOTSBHOMSA-N 1 0 494.709 4.272 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978901 722150082 /nfs/dbraw/zinc/15/00/82/722150082.db2.gz KOHXENJTABIESO-REWPJTCUSA-N 1 0 485.966 4.464 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973813 722152852 /nfs/dbraw/zinc/15/28/52/722152852.db2.gz MGIGTCHWXTXMRX-DOTOQJQBSA-N 1 0 476.877 4.421 20 0 JIADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]32)cs1 ZINC001164986259 722179348 /nfs/dbraw/zinc/17/93/48/722179348.db2.gz JNGDPPTZFIIQKW-RRPNLBNLSA-N 1 0 489.689 4.275 20 0 JIADRO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]32)cs1 ZINC001164987593 722185468 /nfs/dbraw/zinc/18/54/68/722185468.db2.gz KJOBDQSPQSIXTJ-DNQXCXABSA-N 1 0 463.651 4.470 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998016 722220267 /nfs/dbraw/zinc/22/02/67/722220267.db2.gz GNVVLJBXFVQKPO-AMGIVPHBSA-N 1 0 462.594 4.381 20 0 JIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165002607 722254542 /nfs/dbraw/zinc/25/45/42/722254542.db2.gz RNIWDQSTPCUJLA-UHFFFAOYSA-N 1 0 474.584 4.429 20 0 JIADRO Cc1sc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1-c1ccccc1 ZINC001165004500 722256459 /nfs/dbraw/zinc/25/64/59/722256459.db2.gz SVPWKIQRJKYPIV-UHFFFAOYSA-N 1 0 462.623 4.352 20 0 JIADRO O=C(CC1CCC2(CC1)OCCO2)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354544283 1069319367 /nfs/dbraw/zinc/31/93/67/1069319367.db2.gz ABQPOMURWSYIBM-NRFANRHFSA-N 1 0 454.533 4.223 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001492592678 1069322869 /nfs/dbraw/zinc/32/28/69/1069322869.db2.gz PDFXCUQDUSQUHX-UHFFFAOYSA-N 1 0 482.673 4.433 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCSC(F)(F)F ZINC001300651581 1069335879 /nfs/dbraw/zinc/33/58/79/1069335879.db2.gz FRGKLXFQDZHECO-QGZVFWFLSA-N 1 0 499.603 4.429 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001300651472 1069335998 /nfs/dbraw/zinc/33/59/98/1069335998.db2.gz BGKNGILGVCQLQZ-HYBUGGRVSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(O)CCCCC1 ZINC001300651886 1069337723 /nfs/dbraw/zinc/33/77/23/1069337723.db2.gz JHQSBDDTCRXVGI-UHFFFAOYSA-N 1 0 485.673 4.119 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001300654358 1069345100 /nfs/dbraw/zinc/34/51/00/1069345100.db2.gz XYKJOVJOKVKEDB-FQEVSTJZSA-N 1 0 473.687 4.320 20 0 JIADRO C[NH+]1CCC2(CCN(C(=S)Nc3ccc(Br)cc3OC(F)(F)F)C2)CC1 ZINC001200710461 1069351397 /nfs/dbraw/zinc/35/13/97/1069351397.db2.gz DGRSWEJEKGZJNG-UHFFFAOYSA-N 1 0 452.340 4.462 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCCC1 ZINC001300659768 1069365415 /nfs/dbraw/zinc/36/54/15/1069365415.db2.gz CWLIVRQQMJGPSB-UHFFFAOYSA-N 1 0 485.032 4.392 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300660515 1069368349 /nfs/dbraw/zinc/36/83/49/1069368349.db2.gz LMISCAZCQZHUQG-WOJBJXKFSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001300660556 1069368497 /nfs/dbraw/zinc/36/84/97/1069368497.db2.gz LUCYPEYLOYSLQB-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001300667553 1069391720 /nfs/dbraw/zinc/39/17/20/1069391720.db2.gz DLNBCJJFQOLMDX-QGZVFWFLSA-N 1 0 472.684 4.465 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCCC1 ZINC001300670834 1069403992 /nfs/dbraw/zinc/40/39/92/1069403992.db2.gz YJSLJDBGEQJKCC-UHFFFAOYSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOC(C)(C)C ZINC001300670742 1069403391 /nfs/dbraw/zinc/40/33/91/1069403391.db2.gz WVONEURIFYCTOH-OALUTQOASA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1nc(C)cs1 ZINC001300674847 1069416927 /nfs/dbraw/zinc/41/69/27/1069416927.db2.gz AVBYVRLUWFNHEK-UHFFFAOYSA-N 1 0 472.684 4.359 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359349505 1069426779 /nfs/dbraw/zinc/42/67/79/1069426779.db2.gz YKBKZHAKYUGRMB-MFSSEKOKSA-N 1 0 464.658 4.205 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359349629 1069426806 /nfs/dbraw/zinc/42/68/06/1069426806.db2.gz BCOMGFOIYFNWIP-DEOSSOPVSA-N 1 0 484.664 4.265 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCc1nc(C)no1 ZINC001300677479 1069431182 /nfs/dbraw/zinc/43/11/82/1069431182.db2.gz OVISVBOMPNSIFK-UHFFFAOYSA-N 1 0 499.685 4.214 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001359353134 1069436549 /nfs/dbraw/zinc/43/65/49/1069436549.db2.gz RMKPNVIQSZEVQL-LJQANCHMSA-N 1 0 452.647 4.122 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001359353366 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BTAABSYIZNTWER-VWLOTQADSA-N 1 0 459.704 4.333 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001359516728 1069802856 /nfs/dbraw/zinc/80/28/56/1069802856.db2.gz HFUVPSQENNDHGI-OAQYLSRUSA-N 1 0 495.590 4.019 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[NH+]1CCCCC1 ZINC001359516851 1069803303 /nfs/dbraw/zinc/80/33/03/1069803303.db2.gz JMSOPWLWGLFHLJ-FQEVSTJZSA-N 1 0 463.573 4.241 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC[NH+]1CCCCC1 ZINC001359517277 1069803866 /nfs/dbraw/zinc/80/38/66/1069803866.db2.gz RWUURFAEEZEEOO-FQEVSTJZSA-N 1 0 476.463 4.402 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001359522193 1069810035 /nfs/dbraw/zinc/81/00/35/1069810035.db2.gz OCAMGJDYLFDOLF-KNQAVFIVSA-N 1 0 494.055 4.226 20 0 JIADRO Cc1ccccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492594965 1069811992 /nfs/dbraw/zinc/81/19/92/1069811992.db2.gz JZCAPPLLCWFGCG-QHCPKHFHSA-N 1 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CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359540803 1069838074 /nfs/dbraw/zinc/83/80/74/1069838074.db2.gz HIDZCKXCSVJWTA-HXUWFJFHSA-N 1 0 495.590 4.015 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359540028 1069837063 /nfs/dbraw/zinc/83/70/63/1069837063.db2.gz FRMIYOGYIFOHLZ-UHFFFAOYSA-N 1 0 476.607 4.154 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCCNc1ccccn1 ZINC001359540278 1069837754 /nfs/dbraw/zinc/83/77/54/1069837754.db2.gz OXYJAJPKCSPZFK-UHFFFAOYSA-N 1 0 453.679 4.466 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001359543775 1069842486 /nfs/dbraw/zinc/84/24/86/1069842486.db2.gz PADOKEFIDKGHJY-HXUWFJFHSA-N 1 0 462.683 4.236 20 0 JIADRO CC(C)(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359544499 1069844079 /nfs/dbraw/zinc/84/40/79/1069844079.db2.gz RUPWTPGYQPQWHU-OYRHEFFESA-N 1 0 488.721 4.292 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCOC2)CC1 ZINC001359547194 1069852045 /nfs/dbraw/zinc/85/20/45/1069852045.db2.gz FSAKYXBHZKPCOU-IBGZPJMESA-N 1 0 461.601 4.132 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSC(F)(F)F)CC1 ZINC001359546706 1069851299 /nfs/dbraw/zinc/85/12/99/1069851299.db2.gz NITSQXAGRTWGDU-UHFFFAOYSA-N 1 0 485.576 4.485 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001359547034 1069851631 /nfs/dbraw/zinc/85/16/31/1069851631.db2.gz ZGDGGFKMBIFCMA-BJKOFHAPSA-N 1 0 483.701 4.341 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001359546988 1069851690 /nfs/dbraw/zinc/85/16/90/1069851690.db2.gz XIUMFSCOYQPIDY-OAQYLSRUSA-N 1 0 473.637 4.339 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2Br)CC1 ZINC001359548144 1069854497 /nfs/dbraw/zinc/85/44/97/1069854497.db2.gz PMJCWSYCPASZNT-IBGZPJMESA-N 1 0 476.463 4.294 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001359548675 1069855577 /nfs/dbraw/zinc/85/55/77/1069855577.db2.gz LROUIENQQGWESU-KRWDZBQOSA-N 1 0 480.629 4.016 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001359548904 1069856471 /nfs/dbraw/zinc/85/64/71/1069856471.db2.gz VGRKINWOCLXKGG-FQEVSTJZSA-N 1 0 479.691 4.155 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001359548924 1069856628 /nfs/dbraw/zinc/85/66/28/1069856628.db2.gz WCDJYUHCJDUFBI-RBBKRZOGSA-N 1 0 460.066 4.384 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001359550171 1069858593 /nfs/dbraw/zinc/85/85/93/1069858593.db2.gz RSIGCTSSNRMACV-UHFFFAOYSA-N 1 0 450.553 4.393 20 0 JIADRO CC(C)(C)OC(=O)N1CC=C(Cn2c(-c3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001359554565 1069865916 /nfs/dbraw/zinc/86/59/16/1069865916.db2.gz OYGPSPZPZGPKIS-UHFFFAOYSA-N 1 0 495.672 4.218 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001359557294 1069875303 /nfs/dbraw/zinc/87/53/03/1069875303.db2.gz HEXJVDNXCQCGIO-NHCUHLMSSA-N 1 0 490.693 4.087 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359564286 1069893211 /nfs/dbraw/zinc/89/32/11/1069893211.db2.gz LQRKROMACISACK-UHFFFAOYSA-N 1 0 497.688 4.022 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359577392 1069983903 /nfs/dbraw/zinc/98/39/03/1069983903.db2.gz UBRGXAPCIHEYCY-NRFANRHFSA-N 1 0 489.064 4.112 20 0 JIADRO CC(C)(C)OCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359585546 1070014714 /nfs/dbraw/zinc/01/47/14/1070014714.db2.gz FJEYPERTTVCEQN-UHFFFAOYSA-N 1 0 452.647 4.407 20 0 JIADRO CC(C)(C)O[C@@H]1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1(C)C ZINC001359586672 1070019126 /nfs/dbraw/zinc/01/91/26/1070019126.db2.gz TYBLGDVQLKMOON-NHCUHLMSSA-N 1 0 488.721 4.055 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359590897 1070029832 /nfs/dbraw/zinc/02/98/32/1070029832.db2.gz MMSBDKFYFRIXPV-PBUKZNKTSA-N 1 0 485.742 4.313 20 0 JIADRO CC(C)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC001359594819 1070043395 /nfs/dbraw/zinc/04/33/95/1070043395.db2.gz PHHGQZBTDUZYIE-UHFFFAOYSA-N 1 0 468.568 4.191 20 0 JIADRO CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC001359595008 1070043938 /nfs/dbraw/zinc/04/39/38/1070043938.db2.gz WWRLFHGPAURFSP-UHFFFAOYSA-N 1 0 451.541 4.026 20 0 JIADRO CC(C)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1)C[NH+]1CCCC1 ZINC001359598157 1070054230 /nfs/dbraw/zinc/05/42/30/1070054230.db2.gz QKQKRDBKKJHJIA-UHFFFAOYSA-N 1 0 480.426 4.195 20 0 JIADRO CC(C)=CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359613491 1070079328 /nfs/dbraw/zinc/07/93/28/1070079328.db2.gz YHPGGVKLFXLHBI-UHFFFAOYSA-N 1 0 467.658 4.379 20 0 JIADRO CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359615973 1070084347 /nfs/dbraw/zinc/08/43/47/1070084347.db2.gz GMMVQYVJVVOJFE-XMMPIXPASA-N 1 0 480.701 4.183 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359614920 1070082132 /nfs/dbraw/zinc/08/21/32/1070082132.db2.gz WEKSADLRXOWTHP-GOSISDBHSA-N 1 0 493.483 4.431 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001359615457 1070083275 /nfs/dbraw/zinc/08/32/75/1070083275.db2.gz OHUFQNJGOZSNJV-HSZRJFAPSA-N 1 0 470.637 4.072 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359619638 1070090606 /nfs/dbraw/zinc/09/06/06/1070090606.db2.gz BBSSAZSRXJAGOB-SFHVURJKSA-N 1 0 479.044 4.066 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359622702 1070099441 /nfs/dbraw/zinc/09/94/41/1070099441.db2.gz HMQPKRXBJLHMSU-URXFXBBRSA-N 1 0 494.709 4.192 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359624233 1070108290 /nfs/dbraw/zinc/10/82/90/1070108290.db2.gz SKSIUQMNYPHGKC-NRFANRHFSA-N 1 0 454.663 4.053 20 0 JIADRO CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359632675 1070153025 /nfs/dbraw/zinc/15/30/25/1070153025.db2.gz MUYSZVYSGATMAO-QFIPXVFZSA-N 1 0 468.690 4.130 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359643899 1070183628 /nfs/dbraw/zinc/18/36/28/1070183628.db2.gz QOFBRNWNBHKHEC-OAQYLSRUSA-N 1 0 487.714 4.343 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359656067 1070231068 /nfs/dbraw/zinc/23/10/68/1070231068.db2.gz IYNCWLXGFINTQV-NQIIRXRSSA-N 1 0 472.703 4.287 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359658318 1070254969 /nfs/dbraw/zinc/25/49/69/1070254969.db2.gz ZQAAROQQOFLCKX-IFMALSPDSA-N 1 0 474.738 4.364 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001359658800 1070260390 /nfs/dbraw/zinc/26/03/90/1070260390.db2.gz JDWSAGGFCXJKKH-FQEVSTJZSA-N 1 0 461.035 4.048 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCC1 ZINC001359659380 1070265211 /nfs/dbraw/zinc/26/52/11/1070265211.db2.gz VUKVGDRMMMFYPM-JXFKEZNVSA-N 1 0 479.456 4.039 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359660567 1070271783 /nfs/dbraw/zinc/27/17/83/1070271783.db2.gz SAUDWLXMWJPJJY-MRXNPFEDSA-N 1 0 493.500 4.120 20 0 JIADRO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCCC1 ZINC001359661885 1070279255 /nfs/dbraw/zinc/27/92/55/1070279255.db2.gz QDHHFOPVBGHLEQ-XZOQPEGZSA-N 1 0 459.610 4.294 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001359662682 1070285447 /nfs/dbraw/zinc/28/54/47/1070285447.db2.gz DXVDWXQGZMPEBE-WMZHIEFXSA-N 1 0 461.601 4.273 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359664825 1070293757 /nfs/dbraw/zinc/29/37/57/1070293757.db2.gz MUVTXPLMUNUMAG-LJQANCHMSA-N 1 0 483.604 4.399 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359665315 1070295617 /nfs/dbraw/zinc/29/56/17/1070295617.db2.gz XDASGHWPAFAKOG-RLLQIKCJSA-N 1 0 450.553 4.019 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001359666288 1070301474 /nfs/dbraw/zinc/30/14/74/1070301474.db2.gz QSRBFOWGCAETOE-ZJOUEHCJSA-N 1 0 461.651 4.447 20 0 JIADRO CC(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001359666817 1070303179 /nfs/dbraw/zinc/30/31/79/1070303179.db2.gz CIJGCZSKLKFFKT-UHFFFAOYSA-N 1 0 487.714 4.343 20 0 JIADRO CC(C)c1ccnc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001359668316 1070306369 /nfs/dbraw/zinc/30/63/69/1070306369.db2.gz AYSIMEKVLKEGHQ-NRFANRHFSA-N 1 0 490.700 4.433 20 0 JIADRO CC(C)c1nnc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CCO2)o1 ZINC001359675022 1070327032 /nfs/dbraw/zinc/32/70/32/1070327032.db2.gz CJAVRYRPVPDFDT-WOJBJXKFSA-N 1 0 485.608 4.102 20 0 JIADRO CC(C)c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359689928 1070346351 /nfs/dbraw/zinc/34/63/51/1070346351.db2.gz VYDOURALPACZPW-NQIIRXRSSA-N 1 0 474.625 4.022 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001359691568 1070349175 /nfs/dbraw/zinc/34/91/75/1070349175.db2.gz QKSGZZDDHUMROH-UHFFFAOYSA-N 1 0 486.730 4.458 20 0 JIADRO CC(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359697293 1070357515 /nfs/dbraw/zinc/35/75/15/1070357515.db2.gz NXQJCFQPYAXHHN-UHFFFAOYSA-N 1 0 469.527 4.156 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359699662 1070362434 /nfs/dbraw/zinc/36/24/34/1070362434.db2.gz MZBPJVIBEPZGFP-QHCPKHFHSA-N 1 0 485.652 4.452 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359699680 1070362637 /nfs/dbraw/zinc/36/26/37/1070362637.db2.gz NFSMPNIYQANUAP-HXUWFJFHSA-N 1 0 470.637 4.204 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359699795 1070362345 /nfs/dbraw/zinc/36/23/45/1070362345.db2.gz RPYJXPJUXHJEAB-QHCPKHFHSA-N 1 0 470.637 4.060 20 0 JIADRO CC(C)c1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359701286 1070366051 /nfs/dbraw/zinc/36/60/51/1070366051.db2.gz OJPKONPBLIZIEI-FGZHOGPDSA-N 1 0 461.676 4.320 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359705241 1070371269 /nfs/dbraw/zinc/37/12/69/1070371269.db2.gz AEDXXTWTHAVOIU-OFNKIYASSA-N 1 0 466.674 4.274 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315458945 1064269489 /nfs/dbraw/zinc/26/94/89/1064269489.db2.gz IALFORRZTIWDCC-DNQXCXABSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CCn2c(N3CC[N@@H+]4CCCC[C@@H]4C3)nnc2C(C)(C)C)cc1Br ZINC001315465891 1064293247 /nfs/dbraw/zinc/29/32/47/1064293247.db2.gz SJGXRYLXJYJSMA-GOSISDBHSA-N 1 0 476.463 4.264 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)cc1F ZINC001315470887 1064309794 /nfs/dbraw/zinc/30/97/94/1064309794.db2.gz PSAGGAFVJKAHNS-UHFFFAOYSA-N 1 0 491.409 4.306 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001315471283 1064310197 /nfs/dbraw/zinc/31/01/97/1064310197.db2.gz VCKNGEKKVIKRES-RBJSKKJNSA-N 1 0 499.700 4.393 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001315472273 1064312378 /nfs/dbraw/zinc/31/23/78/1064312378.db2.gz AJTXCRXPCSDOQB-FQEVSTJZSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001315474207 1064318677 /nfs/dbraw/zinc/31/86/77/1064318677.db2.gz NEYSNBPFSBRSEP-UXHICEINSA-N 1 0 464.614 4.114 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC001315475232 1064323328 /nfs/dbraw/zinc/32/33/28/1064323328.db2.gz LRGMRKABXDCHCB-LEWJYISDSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001315475725 1064324943 /nfs/dbraw/zinc/32/49/43/1064324943.db2.gz OLOZRIASOJTYQB-PMACEKPBSA-N 1 0 485.654 4.190 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001315479710 1064337644 /nfs/dbraw/zinc/33/76/44/1064337644.db2.gz KTCFHUGUABTNKU-HXUWFJFHSA-N 1 0 466.605 4.313 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC(F)F ZINC001315481626 1064343640 /nfs/dbraw/zinc/34/36/40/1064343640.db2.gz LIYOYZVNTNZRRN-YLJYHZDGSA-N 1 0 479.572 4.108 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC001315482069 1064344446 /nfs/dbraw/zinc/34/44/46/1064344446.db2.gz XBWIATUCBQPTBU-DNVFCKCGSA-N 1 0 459.610 4.282 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CC=CCC2)c(OC)c1 ZINC001315482812 1064347081 /nfs/dbraw/zinc/34/70/81/1064347081.db2.gz GDRHIYPJWWOPNJ-ISKFKSNPSA-N 1 0 483.657 4.112 20 0 JIADRO COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC001315491962 1064376474 /nfs/dbraw/zinc/37/64/74/1064376474.db2.gz LHWUKZGRFHYVPH-UHFFFAOYSA-N 1 0 485.430 4.126 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CC3)CC2)cc1Br ZINC001315497778 1064391747 /nfs/dbraw/zinc/39/17/47/1064391747.db2.gz BWKNLMOUMYGKAJ-UHFFFAOYSA-N 1 0 476.463 4.218 20 0 JIADRO COc1ccc(Cn2c(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)nnc2C(C)(C)C)cc1O ZINC001315507392 1064427653 /nfs/dbraw/zinc/42/76/53/1064427653.db2.gz JTFHQMDCQZBLAV-FPOVZHCZSA-N 1 0 455.647 4.429 20 0 JIADRO COc1ccc(COCCCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001315509371 1064435937 /nfs/dbraw/zinc/43/59/37/1064435937.db2.gz ZXCJLGIJPUXQCO-UHFFFAOYSA-N 1 0 478.641 4.185 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315513867 1064457042 /nfs/dbraw/zinc/45/70/42/1064457042.db2.gz WODCEKIZQCJDIT-GOSISDBHSA-N 1 0 470.021 4.298 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001315514938 1064460727 /nfs/dbraw/zinc/46/07/27/1064460727.db2.gz ZPIXFVVRGUGISE-UHFFFAOYSA-N 1 0 474.005 4.104 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001315515452 1064462271 /nfs/dbraw/zinc/46/22/71/1064462271.db2.gz MNPYBBNTXPRWJM-NRFANRHFSA-N 1 0 472.653 4.136 20 0 JIADRO COc1ccc(OC)c(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001315523232 1064493419 /nfs/dbraw/zinc/49/34/19/1064493419.db2.gz MZWQJZUSEBJHDY-FQEVSTJZSA-N 1 0 455.647 4.244 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001315526042 1064501690 /nfs/dbraw/zinc/50/16/90/1064501690.db2.gz UHACIBNJSRUGGD-HXUWFJFHSA-N 1 0 473.662 4.236 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001315526040 1064502082 /nfs/dbraw/zinc/50/20/82/1064502082.db2.gz UHACIBNJSRUGGD-FQEVSTJZSA-N 1 0 473.662 4.236 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(c4ccsc4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001315531702 1064517525 /nfs/dbraw/zinc/51/75/25/1064517525.db2.gz NREHJDWEHUBFFX-SFHVURJKSA-N 1 0 455.628 4.261 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC=C(C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315533501 1064521541 /nfs/dbraw/zinc/52/15/41/1064521541.db2.gz PEUKQSBBALXNEM-VXKWHMMOSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315540225 1064535803 /nfs/dbraw/zinc/53/58/03/1064535803.db2.gz CFRAQUXCWUFEJC-UHFFFAOYSA-N 1 0 452.603 4.062 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315544344 1064546532 /nfs/dbraw/zinc/54/65/32/1064546532.db2.gz DGINDVPGQODPHS-IRLDBZIGSA-N 1 0 491.640 4.109 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545096 1064548530 /nfs/dbraw/zinc/54/85/30/1064548530.db2.gz KZYJWKYXXPHZFP-HSZRJFAPSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC001315545740 1064551472 /nfs/dbraw/zinc/55/14/72/1064551472.db2.gz OHTTVWHSFWPKTF-QHCPKHFHSA-N 1 0 468.646 4.031 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CCCC[C@H](SC)C2)[NH+](C)C)c1 ZINC001315547528 1064557001 /nfs/dbraw/zinc/55/70/01/1064557001.db2.gz QRMLZRJBVSVUIA-GMAHTHKFSA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCN(c4cccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315547504 1064557146 /nfs/dbraw/zinc/55/71/46/1064557146.db2.gz BPCKCNPNYZCIDG-OAQYLSRUSA-N 1 0 468.671 4.275 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N(C)Cc2cc(C)on2)[NH+]2CCCC2)c1 ZINC001315548294 1064559718 /nfs/dbraw/zinc/55/97/18/1064559718.db2.gz ZCWDUJXXZUQPSE-QHCPKHFHSA-N 1 0 452.603 4.255 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@@H](C)[C@H](OC)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548500 1064561001 /nfs/dbraw/zinc/56/10/01/1064561001.db2.gz KGJZOPCGOIIATO-WTIAFYNJSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315549761 1064564959 /nfs/dbraw/zinc/56/49/59/1064564959.db2.gz MTGUGSIYPMXUMN-NHCUHLMSSA-N 1 0 479.673 4.390 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315550675 1064567250 /nfs/dbraw/zinc/56/72/50/1064567250.db2.gz ZDPRZFMXWRFMOP-DNQXCXABSA-N 1 0 480.682 4.153 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001315553431 1064570885 /nfs/dbraw/zinc/57/08/85/1064570885.db2.gz CIJXWPNMCLTKLR-XLIONFOSSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315554974 1064573530 /nfs/dbraw/zinc/57/35/30/1064573530.db2.gz CLTRXQWPUQPVAR-NFBKMPQASA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001315562084 1064588349 /nfs/dbraw/zinc/58/83/49/1064588349.db2.gz AQHLSQRBJAGJFN-SANMLTNESA-N 1 0 483.682 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315563528 1064591824 /nfs/dbraw/zinc/59/18/24/1064591824.db2.gz BYTZHALCKIDTNM-NHCUHLMSSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001315564025 1064592830 /nfs/dbraw/zinc/59/28/30/1064592830.db2.gz RXSQASPQOLLDFE-OFNKIYASSA-N 1 0 498.672 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315564232 1064593483 /nfs/dbraw/zinc/59/34/83/1064593483.db2.gz KJZNVCPMIUXOII-UHFFFAOYSA-N 1 0 482.595 4.147 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315566168 1064597819 /nfs/dbraw/zinc/59/78/19/1064597819.db2.gz MTLDEHWGIAYIMI-DCXXXQMHSA-N 1 0 495.590 4.476 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315572161 1064619221 /nfs/dbraw/zinc/61/92/21/1064619221.db2.gz SJKBCTJSXQQQSQ-RDPSFJRHSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001315573269 1064623763 /nfs/dbraw/zinc/62/37/63/1064623763.db2.gz XQKJXBPXAOFOTG-XUZZJYLKSA-N 1 0 482.717 4.489 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315576609 1064633770 /nfs/dbraw/zinc/63/37/70/1064633770.db2.gz LBJDNRBHYJHGKE-JOCHJYFZSA-N 1 0 450.631 4.297 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001315576642 1064633896 /nfs/dbraw/zinc/63/38/96/1064633896.db2.gz LXKUFMOOIVEISL-OAQYLSRUSA-N 1 0 450.612 4.293 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315586881 1064666837 /nfs/dbraw/zinc/66/68/37/1064666837.db2.gz UBWOKRNUZYSOGK-UHFFFAOYSA-N 1 0 471.646 4.306 20 0 JIADRO 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COc1ccccc1-c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315599445 1064704713 /nfs/dbraw/zinc/70/47/13/1064704713.db2.gz YKCQVIQYJLTALN-WXVAWEFUSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001315600331 1064707551 /nfs/dbraw/zinc/70/75/51/1064707551.db2.gz PJGNMOAVYRHLKT-UHFFFAOYSA-N 1 0 496.700 4.444 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606228 1064722090 /nfs/dbraw/zinc/72/20/90/1064722090.db2.gz BGZMDMCZFQEXIG-GOTSBHOMSA-N 1 0 496.700 4.015 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001315610926 1064730400 /nfs/dbraw/zinc/73/04/00/1064730400.db2.gz IPHCSKTUSMXMGF-QFIPXVFZSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315610964 1064730902 /nfs/dbraw/zinc/73/09/02/1064730902.db2.gz JHLVAUPQLYKZIB-GMAHTHKFSA-N 1 0 482.673 4.279 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315610965 1064731278 /nfs/dbraw/zinc/73/12/78/1064731278.db2.gz JHLVAUPQLYKZIB-JTHBVZDNSA-N 1 0 482.673 4.279 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612946 1064735397 /nfs/dbraw/zinc/73/53/97/1064735397.db2.gz LNVFNKVCPCEDKM-YPAWHYETSA-N 1 0 455.647 4.151 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001315614491 1064738663 /nfs/dbraw/zinc/73/86/63/1064738663.db2.gz CFPBREDKMQCMRQ-JOCHJYFZSA-N 1 0 493.700 4.480 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315616388 1064744046 /nfs/dbraw/zinc/74/40/46/1064744046.db2.gz MBGYPELIZNGPIC-XPWALMASSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315616510 1064744109 /nfs/dbraw/zinc/74/41/09/1064744109.db2.gz VTJPYMJAEGVEDD-DCFHFQCYSA-N 1 0 479.673 4.066 20 0 JIADRO 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COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001315627010 1064771975 /nfs/dbraw/zinc/77/19/75/1064771975.db2.gz XZSIDCDUXJCNMN-ATIYNZHBSA-N 1 0 469.674 4.296 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OC)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001315627399 1064772595 /nfs/dbraw/zinc/77/25/95/1064772595.db2.gz HKBOFPYMCLIRDJ-XMMPIXPASA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315630820 1064781844 /nfs/dbraw/zinc/78/18/44/1064781844.db2.gz FCAISYKRYUBLQH-ZJSXRUAMSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001315630999 1064782098 /nfs/dbraw/zinc/78/20/98/1064782098.db2.gz GZNBEFIETMLARV-QFIPXVFZSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001315633135 1064786805 /nfs/dbraw/zinc/78/68/05/1064786805.db2.gz WFIRLXXGOBEHLF-NIYFSFCBSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315637969 1064796181 /nfs/dbraw/zinc/79/61/81/1064796181.db2.gz WGXAACVKDMLJAK-NHCUHLMSSA-N 1 0 463.630 4.138 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315642464 1064807089 /nfs/dbraw/zinc/80/70/89/1064807089.db2.gz DQVOYXLYRZZLAU-QFIPXVFZSA-N 1 0 468.671 4.097 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315642911 1064808420 /nfs/dbraw/zinc/80/84/20/1064808420.db2.gz KEOJOYBADCCMME-QHCPKHFHSA-N 1 0 454.663 4.247 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315647572 1064822380 /nfs/dbraw/zinc/82/23/80/1064822380.db2.gz NIENFDNCGTVAFC-PMACEKPBSA-N 1 0 453.587 4.216 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315648976 1064825628 /nfs/dbraw/zinc/82/56/28/1064825628.db2.gz WVIKRDXSALIHLZ-FQEVSTJZSA-N 1 0 464.614 4.045 20 0 JIADRO 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COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[C@@H]1CCCCO1 ZINC001315658984 1064853842 /nfs/dbraw/zinc/85/38/42/1064853842.db2.gz SWUUKYRRCUCVED-QFIPXVFZSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315659601 1064855030 /nfs/dbraw/zinc/85/50/30/1064855030.db2.gz VFALUZJRIWGDIB-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC1([NH+](C)C)CCCC1 ZINC001315659908 1064855644 /nfs/dbraw/zinc/85/56/44/1064855644.db2.gz YPMVZUNRLPNUIF-FQEVSTJZSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCOC(C)C ZINC001315663936 1064872859 /nfs/dbraw/zinc/87/28/59/1064872859.db2.gz HNFVHVGEUXFUEY-WOJBJXKFSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCO[C@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315664168 1064873510 /nfs/dbraw/zinc/87/35/10/1064873510.db2.gz GXHOTRYWIVBRAH-NHCUHLMSSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(C)CCCS1 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DDYFZMKLJOZZAL-UHFFFAOYSA-N 1 0 486.661 4.299 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Nc3cnn(C)c3)nnc2[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC001315704422 1064971172 /nfs/dbraw/zinc/97/11/72/1064971172.db2.gz IDKRDTWNEGYLMF-KRWDZBQOSA-N 1 0 488.036 4.438 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001315704964 1064973192 /nfs/dbraw/zinc/97/31/92/1064973192.db2.gz LTXFZIVIIFMVEL-FQEVSTJZSA-N 1 0 491.677 4.217 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001315706803 1064979381 /nfs/dbraw/zinc/97/93/81/1064979381.db2.gz YBWMTCHJZGGUFN-UHFFFAOYSA-N 1 0 498.619 4.222 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N(C)CCc2nccs2)CC1 ZINC001315706966 1064980232 /nfs/dbraw/zinc/98/02/32/1064980232.db2.gz ZDQRSMCXAPPMSR-UHFFFAOYSA-N 1 0 482.698 4.202 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315708947 1064984505 /nfs/dbraw/zinc/98/45/05/1064984505.db2.gz YWFWFDIJDVQAGN-CIAFKFPVSA-N 1 0 461.695 4.322 20 0 JIADRO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315708942 1064984605 /nfs/dbraw/zinc/98/46/05/1064984605.db2.gz FQEMXVOFRIDXKG-REWPJTCUSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC[C@@H]1C ZINC001315712937 1064996109 /nfs/dbraw/zinc/99/61/09/1064996109.db2.gz MDJPNYVWQRSQIX-FUHWJXTLSA-N 1 0 478.062 4.253 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCSCC2)CC[C@@H]1C ZINC001315713094 1064997681 /nfs/dbraw/zinc/99/76/81/1064997681.db2.gz FAEKHJYPPMXFPI-URXFXBBRSA-N 1 0 487.714 4.280 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[C@H]1C ZINC001315713459 1064999196 /nfs/dbraw/zinc/99/91/96/1064999196.db2.gz GLAGNQBFOSXBQP-TYCQWZJGSA-N 1 0 472.996 4.297 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC[C@H]1C ZINC001315713672 1064999819 /nfs/dbraw/zinc/99/98/19/1064999819.db2.gz CGRBNFIQKZTZAJ-TYCQWZJGSA-N 1 0 476.463 4.217 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001315714824 1065003026 /nfs/dbraw/zinc/00/30/26/1065003026.db2.gz QSHCIPNPNKHDAX-WPSZSDGUSA-N 1 0 494.105 4.370 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315715954 1065005761 /nfs/dbraw/zinc/00/57/61/1065005761.db2.gz MKWZNNROMAJNIF-BBTUJRGHSA-N 1 0 476.065 4.348 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CC1(C)C ZINC001315728925 1065025858 /nfs/dbraw/zinc/02/58/58/1065025858.db2.gz BLANRUOQPYPXNJ-FYYLOGMGSA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+](C(C)C)C(C)C)CC1(C)C ZINC001315732964 1065031448 /nfs/dbraw/zinc/03/14/48/1065031448.db2.gz DVGLXYFVZLAJAH-HSZRJFAPSA-N 1 0 457.663 4.454 20 0 JIADRO CO[C@@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315740484 1065048157 /nfs/dbraw/zinc/04/81/57/1065048157.db2.gz YQFBVNDYNFFJAX-KMDXXIMOSA-N 1 0 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COCCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316228462 1065948986 /nfs/dbraw/zinc/94/89/86/1065948986.db2.gz FGIDHGYXCNARDL-UHFFFAOYSA-N 1 0 492.668 4.280 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316233413 1065961932 /nfs/dbraw/zinc/96/19/32/1065961932.db2.gz HXMHSBWFVKHRAB-FBLLAGFSSA-N 1 0 499.700 4.342 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001316238514 1065974311 /nfs/dbraw/zinc/97/43/11/1065974311.db2.gz ONOKGMZNYAGGPH-DENIHFKCSA-N 1 0 462.038 4.105 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001316238517 1065975081 /nfs/dbraw/zinc/97/50/81/1065975081.db2.gz ONOKGMZNYAGGPH-UGKGYDQZSA-N 1 0 462.038 4.105 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001316269573 1066012861 /nfs/dbraw/zinc/01/28/61/1066012861.db2.gz LHSPGMHMVHUHDY-PUHATCMVSA-N 1 0 455.647 4.116 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC=C(C)C ZINC001316270005 1066013176 /nfs/dbraw/zinc/01/31/76/1066013176.db2.gz HMHXKUUDPCTWME-GVAUOCQISA-N 1 0 467.658 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316273242 1066020789 /nfs/dbraw/zinc/02/07/89/1066020789.db2.gz HSGSVNAJYOJLPI-PBXXJUDPSA-N 1 0 499.700 4.466 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316274238 1066023986 /nfs/dbraw/zinc/02/39/86/1066023986.db2.gz JQIKCKKZVYUSHW-NYVOZVTQSA-N 1 0 473.618 4.142 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316275067 1066026112 /nfs/dbraw/zinc/02/61/12/1066026112.db2.gz QTOWVZODIFWCFT-SGNDLWITSA-N 1 0 455.647 4.067 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001316281601 1066036178 /nfs/dbraw/zinc/03/61/78/1066036178.db2.gz VZMLXZMXCXJVKD-GOTSBHOMSA-N 1 0 491.721 4.154 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001316283659 1066039318 /nfs/dbraw/zinc/03/93/18/1066039318.db2.gz WQVBJFIVBPVENU-DVKRWUGUSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001316285358 1066041980 /nfs/dbraw/zinc/04/19/80/1066041980.db2.gz AAFKBRNJSWHVJH-GIWBLDEGSA-N 1 0 477.694 4.051 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001316290785 1066050242 /nfs/dbraw/zinc/05/02/42/1066050242.db2.gz CKZSJSVOKABASP-IYSOMAHNSA-N 1 0 459.610 4.071 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001316294397 1066056111 /nfs/dbraw/zinc/05/61/11/1066056111.db2.gz PSEBUWDBACHXPI-AHWVRZQESA-N 1 0 498.716 4.064 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316298700 1066059296 /nfs/dbraw/zinc/05/92/96/1066059296.db2.gz ZWJCTBGYSCUEBH-XGAJZPNHSA-N 1 0 499.700 4.383 20 0 JIADRO CON(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001316310459 1066067248 /nfs/dbraw/zinc/06/72/48/1066067248.db2.gz UBUIHWOMTPGURP-LJQANCHMSA-N 1 0 466.424 4.128 20 0 JIADRO CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316317897 1066073957 /nfs/dbraw/zinc/07/39/57/1066073957.db2.gz DXQHURPSTWFSAF-IEBWSBKVSA-N 1 0 462.019 4.345 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(CCCOc4ccc(Cl)cc4C)n3C[C@H](C)[NH+](C)C)C[C@H]12 ZINC001316322745 1066078275 /nfs/dbraw/zinc/07/82/75/1066078275.db2.gz VARIHGDZZDRWTG-JROBLHLSSA-N 1 0 476.065 4.063 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316330230 1066085925 /nfs/dbraw/zinc/08/59/25/1066085925.db2.gz WQIFZETWYINKAF-KNQAVFIVSA-N 1 0 462.038 4.248 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316330669 1066086524 /nfs/dbraw/zinc/08/65/24/1066086524.db2.gz ZBUHTJNSRUUSFI-REWPJTCUSA-N 1 0 455.647 4.211 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1OC ZINC001316331984 1066087985 /nfs/dbraw/zinc/08/79/85/1066087985.db2.gz VYWPNVIFEMAYDU-ZYOFANERSA-N 1 0 494.055 4.344 20 0 JIADRO CS(=O)(=O)c1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001316336360 1066091400 /nfs/dbraw/zinc/09/14/00/1066091400.db2.gz PTMCBTPXBLDZFI-UHFFFAOYSA-N 1 0 498.480 4.124 20 0 JIADRO CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001316362947 1066099153 /nfs/dbraw/zinc/09/91/53/1066099153.db2.gz IBEGTITZYGVKFI-FPOVZHCZSA-N 1 0 472.703 4.047 20 0 JIADRO CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001316362945 1066099255 /nfs/dbraw/zinc/09/92/55/1066099255.db2.gz IBEGTITZYGVKFI-CTNGQTDRSA-N 1 0 472.703 4.047 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001316367232 1066111062 /nfs/dbraw/zinc/11/10/62/1066111062.db2.gz IHCNTALEPALICA-UHFFFAOYSA-N 1 0 452.068 4.287 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001316367742 1066111105 /nfs/dbraw/zinc/11/11/05/1066111105.db2.gz KKWCODNWSYXDPB-QGZVFWFLSA-N 1 0 482.069 4.428 20 0 JIADRO CSC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316370762 1066118805 /nfs/dbraw/zinc/11/88/05/1066118805.db2.gz GHAKSCPGLXIAFQ-UHFFFAOYSA-N 1 0 485.677 4.133 20 0 JIADRO CS[C@H](C)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001316383099 1066152168 /nfs/dbraw/zinc/15/21/68/1066152168.db2.gz LFULJAQUULBCAO-OFNKIYASSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316395752 1066172128 /nfs/dbraw/zinc/17/21/28/1066172128.db2.gz QDMHKOLPTAKFDV-FQEVSTJZSA-N 1 0 469.703 4.215 20 0 JIADRO CS[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)(C)C ZINC001316395797 1066172341 /nfs/dbraw/zinc/17/23/41/1066172341.db2.gz QYFANOFASWCIOD-XMMPIXPASA-N 1 0 495.741 4.287 20 0 JIADRO CS[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)(C)C ZINC001316397113 1066174692 /nfs/dbraw/zinc/17/46/92/1066174692.db2.gz LTXXLWPAUXOBQE-QFIPXVFZSA-N 1 0 457.688 4.271 20 0 JIADRO CS[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316397143 1066174756 /nfs/dbraw/zinc/17/47/56/1066174756.db2.gz XWPZWNWQZFJBKY-HXUWFJFHSA-N 1 0 451.725 4.193 20 0 JIADRO CS[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316401171 1066178966 /nfs/dbraw/zinc/17/89/66/1066178966.db2.gz YPBZEQXFMPKLDG-FQEVSTJZSA-N 1 0 493.121 4.320 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CC(F)(F)C2)CC[NH+](C)CC1 ZINC001316402862 1066181905 /nfs/dbraw/zinc/18/19/05/1066181905.db2.gz ACZCINDTPBWJPK-UHFFFAOYSA-N 1 0 471.021 4.302 20 0 JIADRO CSC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCn2cccn2)CC[NH+](C)CC1 ZINC001316403062 1066182868 /nfs/dbraw/zinc/18/28/68/1066182868.db2.gz HVCBLFRYRUVZLN-UHFFFAOYSA-N 1 0 481.714 4.403 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316404774 1066186763 /nfs/dbraw/zinc/18/67/63/1066186763.db2.gz CJYJXPFVMVEQDJ-SFHVURJKSA-N 1 0 475.625 4.311 20 0 JIADRO CSC1(Cn2c(C3CCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316405558 1066187792 /nfs/dbraw/zinc/18/77/92/1066187792.db2.gz DNLXNLWKGDOWCB-UHFFFAOYSA-N 1 0 492.734 4.209 20 0 JIADRO CSC1(Cn2c(CCOc3ccccc3)nnc2N2CCC(OC(C)C)CC2)CC[NH+](C)CC1 ZINC001316409288 1066194663 /nfs/dbraw/zinc/19/46/63/1066194663.db2.gz CSUDKJCYIDABPL-UHFFFAOYSA-N 1 0 487.714 4.121 20 0 JIADRO CSC1(Cn2c(N(C)[C@@H]3CCC[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411589 1066200789 /nfs/dbraw/zinc/20/07/89/1066200789.db2.gz PPLUQVVJKAFWCV-BPYKYCOYSA-N 1 0 479.735 4.161 20 0 JIADRO CSc1cc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)ccn1 ZINC001316416861 1066216159 /nfs/dbraw/zinc/21/61/59/1066216159.db2.gz PLHVBRZAIOMTJG-UHFFFAOYSA-N 1 0 456.685 4.406 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001316420009 1066223813 /nfs/dbraw/zinc/22/38/13/1066223813.db2.gz OKVYKHUFVICTIA-IBGZPJMESA-N 1 0 451.644 4.358 20 0 JIADRO Cc1ccn(-c2cccc(C(=O)Nc3ccc(C[NH+]4CCN(c5ccccn5)CC4)cc3)c2)n1 ZINC001324577407 1066223940 /nfs/dbraw/zinc/22/39/40/1066223940.db2.gz JYCMNXUMICCMBT-UHFFFAOYSA-N 1 0 452.562 4.150 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316424764 1066241099 /nfs/dbraw/zinc/24/10/99/1066241099.db2.gz WTKQMJUCORGDOL-LAUBAEHRSA-N 1 0 467.108 4.153 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427023 1066249713 /nfs/dbraw/zinc/24/97/13/1066249713.db2.gz FEPUNBULTNRAED-DHIUTWEWSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316428575 1066256347 /nfs/dbraw/zinc/25/63/47/1066256347.db2.gz UCSIAMONCXBJHF-HSALFYBXSA-N 1 0 457.692 4.214 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316429326 1066260072 /nfs/dbraw/zinc/26/00/72/1066260072.db2.gz DFMZAEZIYMZHLJ-QUCCMNQESA-N 1 0 490.743 4.112 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316429158 1066260113 /nfs/dbraw/zinc/26/01/13/1066260113.db2.gz XERWPKJVHJAESN-QFZWGZQFSA-N 1 0 456.704 4.496 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001316432062 1066272221 /nfs/dbraw/zinc/27/22/21/1066272221.db2.gz DKJNUTIEEKDOLR-KRWDZBQOSA-N 1 0 453.603 4.466 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001316433664 1066279288 /nfs/dbraw/zinc/27/92/88/1066279288.db2.gz JXPDFLBWMGXJCA-DOTOQJQBSA-N 1 0 467.481 4.099 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)C(C)C ZINC001316433865 1066280009 /nfs/dbraw/zinc/28/00/09/1066280009.db2.gz KXKDAYHSJIYRMV-QGZVFWFLSA-N 1 0 469.497 4.108 20 0 JIADRO O=C(COC(=O)CCc1nc2ccccc2s1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326024685 1066280713 /nfs/dbraw/zinc/28/07/13/1066280713.db2.gz PKZCDJVKFBWIGR-HXUWFJFHSA-N 1 0 472.010 4.379 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492500813 1066289010 /nfs/dbraw/zinc/28/90/10/1066289010.db2.gz SSWZOMMGIZFYCS-NRFANRHFSA-N 1 0 462.646 4.463 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)[NH+](C)C ZINC001316436802 1066289811 /nfs/dbraw/zinc/28/98/11/1066289811.db2.gz OFOZETQOQFVXFC-WBVHZDCISA-N 1 0 452.466 4.298 20 0 JIADRO Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4ccccc4N4CC[NH+](C)CC4)cc3)o2)cc1 ZINC001326383588 1066294894 /nfs/dbraw/zinc/29/48/94/1066294894.db2.gz LVDZTKOMTIWSJG-UHFFFAOYSA-N 1 0 467.573 4.394 20 0 JIADRO COc1ccc(NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1NC(=O)OC(C)(C)C ZINC001326428970 1066296542 /nfs/dbraw/zinc/29/65/42/1066296542.db2.gz GTOQYKGDZBVBQP-UHFFFAOYSA-N 1 0 469.586 4.116 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316440038 1066298024 /nfs/dbraw/zinc/29/80/24/1066298024.db2.gz SQAFFXZRDLXBKY-VWPQPMDRSA-N 1 0 456.704 4.352 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316441428 1066302042 /nfs/dbraw/zinc/30/20/42/1066302042.db2.gz CZLMANHWAUKABA-VQTJNVASSA-N 1 0 461.651 4.450 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316443690 1066308552 /nfs/dbraw/zinc/30/85/52/1066308552.db2.gz ZQEIQYWFJMDLGV-HXUWFJFHSA-N 1 0 494.105 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC001327091498 1066310430 /nfs/dbraw/zinc/31/04/30/1066310430.db2.gz VMRPRGGKMGSPFV-MSOLQXFVSA-N 1 0 460.447 4.407 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001327149883 1066311229 /nfs/dbraw/zinc/31/12/29/1066311229.db2.gz ATADZGATOMQZOY-KXAIUKJUSA-N 1 0 465.682 4.263 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316444350 1066311511 /nfs/dbraw/zinc/31/15/11/1066311511.db2.gz BLPQKRTXPXBNJS-PMACEKPBSA-N 1 0 497.717 4.009 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1)C(C)C ZINC001327170473 1066312258 /nfs/dbraw/zinc/31/22/58/1066312258.db2.gz HRACOERZZBTTDZ-WAYWQWQTSA-N 1 0 454.442 4.480 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001492503620 1066316546 /nfs/dbraw/zinc/31/65/46/1066316546.db2.gz OYPZWSDFBLABNF-NRFANRHFSA-N 1 0 464.545 4.199 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001492503537 1066316618 /nfs/dbraw/zinc/31/66/18/1066316618.db2.gz LTOKXHWGPHRRMG-OAQYLSRUSA-N 1 0 499.059 4.318 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316447004 1066319537 /nfs/dbraw/zinc/31/95/37/1066319537.db2.gz NSNMPMHXUSPYCN-UXHICEINSA-N 1 0 450.656 4.365 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001316450212 1066328402 /nfs/dbraw/zinc/32/84/02/1066328402.db2.gz XZLIGVLQRIWFIB-FQEVSTJZSA-N 1 0 492.734 4.232 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001316450521 1066328968 /nfs/dbraw/zinc/32/89/68/1066328968.db2.gz OGNSZVUJZCJTJN-AQNXPRMDSA-N 1 0 480.723 4.113 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492507557 1066331182 /nfs/dbraw/zinc/33/11/82/1066331182.db2.gz WFZYCHMEWVRRJX-RRPUWOKSSA-N 1 0 497.688 4.262 20 0 JIADRO CSCCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001316451877 1066333050 /nfs/dbraw/zinc/33/30/50/1066333050.db2.gz NCVYCAGGQDJCDC-UHFFFAOYSA-N 1 0 467.481 4.244 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(O)(c4ccccc4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492511306 1066344418 /nfs/dbraw/zinc/34/44/18/1066344418.db2.gz USGHQXALFWCDSE-QHCPKHFHSA-N 1 0 462.642 4.113 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492511925 1066348965 /nfs/dbraw/zinc/34/89/65/1066348965.db2.gz ORSXKUHSIDYMQH-VXKWHMMOSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492513031 1066352374 /nfs/dbraw/zinc/35/23/74/1066352374.db2.gz XPSKIQFKNOVDJL-GOSISDBHSA-N 1 0 459.436 4.402 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492514216 1066354820 /nfs/dbraw/zinc/35/48/20/1066354820.db2.gz LLROIISKYOBECI-VQTJNVASSA-N 1 0 480.579 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001492514924 1066357333 /nfs/dbraw/zinc/35/73/33/1066357333.db2.gz WVILAAZOTONKSJ-OFNKIYASSA-N 1 0 495.697 4.002 20 0 JIADRO CSCCCCn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316462329 1066359708 /nfs/dbraw/zinc/35/97/08/1066359708.db2.gz JAJFZXLRHLCRGG-UHFFFAOYSA-N 1 0 456.704 4.500 20 0 JIADRO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316462890 1066360192 /nfs/dbraw/zinc/36/01/92/1066360192.db2.gz JWYSQOZTVFZCPV-JTHBVZDNSA-N 1 0 457.688 4.416 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1([NH+](C)C)CCOCC1 ZINC001316465884 1066367595 /nfs/dbraw/zinc/36/75/95/1066367595.db2.gz QTFFTDMDVHCZPO-SFHVURJKSA-N 1 0 477.744 4.432 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001316466478 1066369886 /nfs/dbraw/zinc/36/98/86/1066369886.db2.gz SQEKYPIZTUQXSZ-UHFFFAOYSA-N 1 0 496.519 4.316 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCCOC(F)(F)F)n1 ZINC001492517714 1066374766 /nfs/dbraw/zinc/37/47/66/1066374766.db2.gz CLBUVCBOQXDDRD-UHFFFAOYSA-N 1 0 466.552 4.276 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001316469709 1066375191 /nfs/dbraw/zinc/37/51/91/1066375191.db2.gz KGNHFHRUYYNDDR-OALUTQOASA-N 1 0 466.696 4.024 20 0 JIADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001316471474 1066378892 /nfs/dbraw/zinc/37/88/92/1066378892.db2.gz BOBVJRMIIGKMBP-KRWDZBQOSA-N 1 0 481.508 4.111 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001492522206 1066389828 /nfs/dbraw/zinc/38/98/28/1066389828.db2.gz JDGFZYYYGDHKEM-GMAHTHKFSA-N 1 0 491.640 4.055 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001316480595 1066394920 /nfs/dbraw/zinc/39/49/20/1066394920.db2.gz RSXVLPDRYMRODH-NZQKXSOJSA-N 1 0 455.647 4.176 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)C2)ccn1 ZINC001334604212 1066397281 /nfs/dbraw/zinc/39/72/81/1066397281.db2.gz VWSZOEUFMVBCJE-OAQYLSRUSA-N 1 0 453.974 4.259 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)C2)ccn1 ZINC001334604112 1066397471 /nfs/dbraw/zinc/39/74/71/1066397471.db2.gz SWJVFBBGKQZFAF-MRXNPFEDSA-N 1 0 482.806 4.251 20 0 JIADRO O=C(Nc1ccccc1)N1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC001335345330 1066410756 /nfs/dbraw/zinc/41/07/56/1066410756.db2.gz KPFKYCMUUXLRLC-SANMLTNESA-N 1 0 459.590 4.440 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490668 1066425030 /nfs/dbraw/zinc/42/50/30/1066425030.db2.gz DKQNZXRDTFZICL-HBGVWJBISA-N 1 0 476.522 4.341 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001316491996 1066429099 /nfs/dbraw/zinc/42/90/99/1066429099.db2.gz JGPLBHGQGSTDJT-VQIMIIECSA-N 1 0 455.500 4.117 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCC2)C[C@@H]1F ZINC001316492785 1066433157 /nfs/dbraw/zinc/43/31/57/1066433157.db2.gz XZAVZNCYIKKMLE-PBHICJAKSA-N 1 0 456.393 4.442 20 0 JIADRO Cc1cccc(CCn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001492529280 1066439080 /nfs/dbraw/zinc/43/90/80/1066439080.db2.gz PMZHYCBGUZFXAT-UHFFFAOYSA-N 1 0 469.033 4.092 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504503 1066474249 /nfs/dbraw/zinc/47/42/49/1066474249.db2.gz MMKUUCUFFDSCAT-QHAWAJNXSA-N 1 0 474.719 4.020 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)c2)n1 ZINC001337430764 1066483167 /nfs/dbraw/zinc/48/31/67/1066483167.db2.gz ZELCOAQRWSLBPB-UHFFFAOYSA-N 1 0 461.566 4.097 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C[NH+](C)C ZINC001316508510 1066488208 /nfs/dbraw/zinc/48/82/08/1066488208.db2.gz REJBGFBAQRQUOG-SFHVURJKSA-N 1 0 452.603 4.192 20 0 JIADRO FC(F)(Br)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316509032 1066490168 /nfs/dbraw/zinc/49/01/68/1066490168.db2.gz RQZUVRUOWIJNDD-UHFFFAOYSA-N 1 0 488.446 4.425 20 0 JIADRO COc1ccc(OCc2nn(CN3CCC[N@@H+]4CCC[C@H]4C3)c(=S)n2-c2ccccc2F)cc1 ZINC001338076778 1066528835 /nfs/dbraw/zinc/52/88/35/1066528835.db2.gz RGGRSXJAEKRQTD-IBGZPJMESA-N 1 0 483.613 4.258 20 0 JIADRO Cc1cccc(CCn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001492532446 1066550805 /nfs/dbraw/zinc/55/08/05/1066550805.db2.gz VJPNGLSSKYPKLI-UHFFFAOYSA-N 1 0 453.675 4.456 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001338466020 1066557379 /nfs/dbraw/zinc/55/73/79/1066557379.db2.gz KSTBVWJLYYHEBC-UHFFFAOYSA-N 1 0 455.602 4.380 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001338741072 1066569860 /nfs/dbraw/zinc/56/98/60/1066569860.db2.gz AYENOHFFDABNDG-UHFFFAOYSA-N 1 0 490.479 4.209 20 0 JIADRO C[C@@]1(c2cccc(C[NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)c2)NC(=O)NC1=O ZINC001338751810 1066570439 /nfs/dbraw/zinc/57/04/39/1066570439.db2.gz SIBQTPGJYGYFBM-QFIPXVFZSA-N 1 0 454.324 4.054 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccnc(OCC(F)(F)F)c3)CC2)c1 ZINC001492534882 1066582326 /nfs/dbraw/zinc/58/23/26/1066582326.db2.gz ROKKOMPTWTXMQZ-UHFFFAOYSA-N 1 0 488.558 4.417 20 0 JIADRO Cc1cccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492535685 1066585534 /nfs/dbraw/zinc/58/55/34/1066585534.db2.gz WLBLYUUUVQXWCX-XMMPIXPASA-N 1 0 454.663 4.274 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492537239 1066593150 /nfs/dbraw/zinc/59/31/50/1066593150.db2.gz SLSPGUHHCYZECQ-ZJSXRUAMSA-N 1 0 479.673 4.389 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 ZINC001316585538 1066607048 /nfs/dbraw/zinc/60/70/48/1066607048.db2.gz URWFSDSCTYVRHG-LJQANCHMSA-N 1 0 498.416 4.180 20 0 JIADRO OCCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001316588191 1066615198 /nfs/dbraw/zinc/61/51/98/1066615198.db2.gz PMWKFBYSHJZJND-GOSISDBHSA-N 1 0 452.430 4.479 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492540552 1066636320 /nfs/dbraw/zinc/63/63/20/1066636320.db2.gz YIZIINSFSRVSOC-PKTZIBPZSA-N 1 0 455.647 4.149 20 0 JIADRO CN(Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667623 1066639779 /nfs/dbraw/zinc/63/97/79/1066639779.db2.gz KKMOZEYVIWSGSC-CQSZACIVSA-N 1 0 452.304 4.417 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001346088223 1066653376 /nfs/dbraw/zinc/65/33/76/1066653376.db2.gz SUXCKONHAJAXCK-KRWDZBQOSA-N 1 0 475.383 4.215 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492544145 1066679247 /nfs/dbraw/zinc/67/92/47/1066679247.db2.gz HUQWOLWDMHEYCC-RUZDIDTESA-N 1 0 499.700 4.306 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492544696 1066708856 /nfs/dbraw/zinc/70/88/56/1066708856.db2.gz WDQNSFACTSGVBF-MOPGFXCFSA-N 1 0 451.537 4.429 20 0 JIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001347946526 1066710081 /nfs/dbraw/zinc/71/00/81/1066710081.db2.gz BUIJCRMBWZYLTH-FQEVSTJZSA-N 1 0 450.048 4.160 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)cc2)CC1 ZINC001317823443 1066710611 /nfs/dbraw/zinc/71/06/11/1066710611.db2.gz YJXJRVJMZFONHG-UHFFFAOYSA-N 1 0 452.562 4.302 20 0 JIADRO Cc1cc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317831265 1066716807 /nfs/dbraw/zinc/71/68/07/1066716807.db2.gz ZKSZJWJVIHPFNY-QHCPKHFHSA-N 1 0 474.024 4.498 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1N1CCCC1=O ZINC001317847716 1066730734 /nfs/dbraw/zinc/73/07/34/1066730734.db2.gz OBRHCFUACJMYID-UHFFFAOYSA-N 1 0 468.601 4.066 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[NH+]1CCCC1 ZINC001317849175 1066731116 /nfs/dbraw/zinc/73/11/16/1066731116.db2.gz PDDROTPOWSTEPG-RSXGOPAZSA-N 1 0 473.621 4.454 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2ccc(C)c(C(=O)OC)c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001348303214 1066735038 /nfs/dbraw/zinc/73/50/38/1066735038.db2.gz TZZHFBDJTAUYMT-UHFFFAOYSA-N 1 0 458.580 4.432 20 0 JIADRO O=C(CCC(=O)c1ccc(I)cc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317860066 1066739383 /nfs/dbraw/zinc/73/93/83/1066739383.db2.gz NDVIXIBRYCHKCP-UHFFFAOYSA-N 1 0 462.331 4.489 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001317883031 1066752794 /nfs/dbraw/zinc/75/27/94/1066752794.db2.gz IWUJFTFUYFQDGJ-RUZDIDTESA-N 1 0 458.610 4.191 20 0 JIADRO CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2n(CN2CC[NH+](C(C)(C)C)CC2)c1=S ZINC001317910589 1066780357 /nfs/dbraw/zinc/78/03/57/1066780357.db2.gz RWKKFBRPYOODGT-UHFFFAOYSA-N 1 0 495.759 4.376 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC001348918563 1066789357 /nfs/dbraw/zinc/78/93/57/1066789357.db2.gz FGORZOXJDYFDBN-OIBXWCBGSA-N 1 0 456.631 4.193 20 0 JIADRO C[C@@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001348920868 1066789842 /nfs/dbraw/zinc/78/98/42/1066789842.db2.gz VGZVNUAVKINHSU-LJQANCHMSA-N 1 0 457.640 4.444 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC001317925242 1066790165 /nfs/dbraw/zinc/79/01/65/1066790165.db2.gz WGLQDSIURGPFAV-VWLOTQADSA-N 1 0 463.622 4.028 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317927143 1066790546 /nfs/dbraw/zinc/79/05/46/1066790546.db2.gz GFWPQRRXMDGQBA-LJQANCHMSA-N 1 0 458.562 4.344 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(N2CCOC2=O)ccc1F)[NH+]1CCCCC1 ZINC001317949245 1066805568 /nfs/dbraw/zinc/80/55/68/1066805568.db2.gz BNVPSGNLCADHGX-OAQYLSRUSA-N 1 0 456.518 4.140 20 0 JIADRO COc1ccc(Br)cc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001317976018 1066827082 /nfs/dbraw/zinc/82/70/82/1066827082.db2.gz ZNFVBUPAPTYRFL-IYBDPMFKSA-N 1 0 462.388 4.389 20 0 JIADRO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001318000449 1066842867 /nfs/dbraw/zinc/84/28/67/1066842867.db2.gz GTHLZWKFTMQVKM-RSXGOPAZSA-N 1 0 479.621 4.131 20 0 JIADRO CC[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001349593838 1066858947 /nfs/dbraw/zinc/85/89/47/1066858947.db2.gz WIOGHAUZNJNONK-ZLNRFVROSA-N 1 0 459.631 4.374 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC001318031173 1066860738 /nfs/dbraw/zinc/86/07/38/1066860738.db2.gz WNVUVRMHOSUDPJ-FQEVSTJZSA-N 1 0 450.505 4.199 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC001318036963 1066863949 /nfs/dbraw/zinc/86/39/49/1066863949.db2.gz IZAJKLWEZLWPHP-JOCHJYFZSA-N 1 0 461.610 4.373 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC001318044536 1066868441 /nfs/dbraw/zinc/86/84/41/1066868441.db2.gz GHHCWGUXCICMJD-XMMPIXPASA-N 1 0 457.018 4.454 20 0 JIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCCC2)cc1 ZINC001318063292 1066880362 /nfs/dbraw/zinc/88/03/62/1066880362.db2.gz VTFCUOVKEBNELJ-SANMLTNESA-N 1 0 484.604 4.456 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318067205 1066882506 /nfs/dbraw/zinc/88/25/06/1066882506.db2.gz QITMSYLLCPLIGE-DEOSSOPVSA-N 1 0 467.564 4.360 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318084207 1066892046 /nfs/dbraw/zinc/89/20/46/1066892046.db2.gz JOCTZFLGRUZDMM-SGGJORCASA-N 1 0 479.621 4.036 20 0 JIADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318103243 1066900790 /nfs/dbraw/zinc/90/07/90/1066900790.db2.gz XXCDLCQYHJUBGQ-IBGZPJMESA-N 1 0 472.014 4.029 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492547105 1066913597 /nfs/dbraw/zinc/91/35/97/1066913597.db2.gz NNCILWBMVLELRY-HSZRJFAPSA-N 1 0 495.647 4.003 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318177778 1066941174 /nfs/dbraw/zinc/94/11/74/1066941174.db2.gz RCPGXUDCKUGRCT-AFMDSPMNSA-N 1 0 493.627 4.186 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1 ZINC001350368687 1066948774 /nfs/dbraw/zinc/94/87/74/1066948774.db2.gz HNLSSXTZRGWGKV-QGZVFWFLSA-N 1 0 458.965 4.003 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1 ZINC001350368676 1066948846 /nfs/dbraw/zinc/94/88/46/1066948846.db2.gz HNLSSXTZRGWGKV-KRWDZBQOSA-N 1 0 458.965 4.003 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 ZINC001350370522 1066949221 /nfs/dbraw/zinc/94/92/21/1066949221.db2.gz XLHLZGRUDMMERI-XZOQPEGZSA-N 1 0 455.599 4.460 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 ZINC001350370518 1066949309 /nfs/dbraw/zinc/94/93/09/1066949309.db2.gz XLHLZGRUDMMERI-PKTZIBPZSA-N 1 0 455.599 4.460 20 0 JIADRO CN(C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318194742 1066951707 /nfs/dbraw/zinc/95/17/07/1066951707.db2.gz OSRJYSKVDXLBFV-SANMLTNESA-N 1 0 472.637 4.052 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(F)c(F)cc2Br)c1 ZINC001350500705 1066965331 /nfs/dbraw/zinc/96/53/31/1066965331.db2.gz GLRGXAAJRKYMHY-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)CC2)cc1 ZINC001318220544 1066967933 /nfs/dbraw/zinc/96/79/33/1066967933.db2.gz AJQCQYZHGSBBSC-UHFFFAOYSA-N 1 0 461.463 4.082 20 0 JIADRO COc1ccc(-c2nn(CN3CCC[N@@H+]4CCC[C@H]4C3)c(=S)n2CCc2ccccc2)cc1 ZINC001318222583 1066969186 /nfs/dbraw/zinc/96/91/86/1066969186.db2.gz LCFSXFJDKWAADP-QHCPKHFHSA-N 1 0 463.651 4.460 20 0 JIADRO COc1ccc(-c2nn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c(=S)n2CCc2ccccc2)cc1 ZINC001318222580 1066969285 /nfs/dbraw/zinc/96/92/85/1066969285.db2.gz LCFSXFJDKWAADP-HSZRJFAPSA-N 1 0 463.651 4.460 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318230041 1066973621 /nfs/dbraw/zinc/97/36/21/1066973621.db2.gz QSOKECNRZLZBJR-UHFFFAOYSA-N 1 0 450.608 4.151 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2ccc(C3SCCCS3)cc2)CC1 ZINC001318261388 1066988668 /nfs/dbraw/zinc/98/86/68/1066988668.db2.gz GSSYUSVSRZNTGX-UHFFFAOYSA-N 1 0 457.665 4.002 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccn2-c2cccc(I)c2)CC1 ZINC001318267814 1066992869 /nfs/dbraw/zinc/99/28/69/1066992869.db2.gz ACGMHYVKTSRDQT-UHFFFAOYSA-N 1 0 489.357 4.412 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3cc(Cl)c(OC)c(OC)c3)CC2)cc1 ZINC001350734375 1066994608 /nfs/dbraw/zinc/99/46/08/1066994608.db2.gz ZODNGXJAQNHCRY-UHFFFAOYSA-N 1 0 461.990 4.077 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2)CC1 ZINC001318284633 1067002424 /nfs/dbraw/zinc/00/24/24/1067002424.db2.gz YBZSOYFQJPVSQK-UHFFFAOYSA-N 1 0 460.544 4.327 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Cl)ncc1Br ZINC001350849284 1067009740 /nfs/dbraw/zinc/00/97/40/1067009740.db2.gz ZKHVCPVMEAFYQR-UHFFFAOYSA-N 1 0 450.768 4.441 20 0 JIADRO CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1OC ZINC001318311306 1067012173 /nfs/dbraw/zinc/01/21/73/1067012173.db2.gz RCGKDVSGFAPKAS-IBGZPJMESA-N 1 0 472.605 4.278 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001200739022 1067016798 /nfs/dbraw/zinc/01/67/98/1067016798.db2.gz NLLXLFTZNONNGN-DNQXCXABSA-N 1 0 459.615 4.438 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1 ZINC001318325523 1067018379 /nfs/dbraw/zinc/01/83/79/1067018379.db2.gz BZGBULCUBNJTIE-UHFFFAOYSA-N 1 0 451.636 4.314 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccncc1Cl ZINC001300683377 1067019580 /nfs/dbraw/zinc/01/95/80/1067019580.db2.gz JOPMAFGNOFUQQI-UHFFFAOYSA-N 1 0 487.073 4.454 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300684353 1067023366 /nfs/dbraw/zinc/02/33/66/1067023366.db2.gz UDTORUSUESPAIU-FPOVZHCZSA-N 1 0 473.687 4.315 20 0 JIADRO CCCOc1c(Br)cc(C[NH2+]CCN2C(=O)COc3ccccc32)cc1OCC ZINC001318340737 1067024099 /nfs/dbraw/zinc/02/40/99/1067024099.db2.gz SQHVGTZSYFADHH-UHFFFAOYSA-N 1 0 463.372 4.152 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001300687686 1067031409 /nfs/dbraw/zinc/03/14/09/1067031409.db2.gz RTHMLJDFIZZSDX-HDICACEKSA-N 1 0 497.681 4.355 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(COc3ccccc3F)on2)[NH+]2CCCCC2)cc1 ZINC001351033108 1067035246 /nfs/dbraw/zinc/03/52/46/1067035246.db2.gz NGBNFQSPSRFNKT-HSZRJFAPSA-N 1 0 453.514 4.358 20 0 JIADRO Cc1cc(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(C)n1Cc1ccco1 ZINC001318434241 1067042243 /nfs/dbraw/zinc/04/22/43/1067042243.db2.gz RRZNILNHZUFYAD-UHFFFAOYSA-N 1 0 465.594 4.166 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)C2)ccn1 ZINC001351117734 1067047664 /nfs/dbraw/zinc/04/76/64/1067047664.db2.gz ORSYOBZDEUVQRX-QFIPXVFZSA-N 1 0 468.001 4.269 20 0 JIADRO COc1ccc(CC[C@H]2CCCCN2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC001318508807 1067049913 /nfs/dbraw/zinc/04/99/13/1067049913.db2.gz DOGGPZQHVKCZDO-XMMPIXPASA-N 1 0 480.653 4.153 20 0 JIADRO CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354714088 1067057456 /nfs/dbraw/zinc/05/74/56/1067057456.db2.gz VSHVIVRXWXNDDL-ZIAGYGMSSA-N 1 0 464.628 4.391 20 0 JIADRO CCOc1cc(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)ccc1OCc1ccccc1 ZINC001318630600 1067057736 /nfs/dbraw/zinc/05/77/36/1067057736.db2.gz WNLYXUUQEGEZDK-HHHXNRCGSA-N 1 0 459.546 4.009 20 0 JIADRO COc1cccc(N2CCC([NH2+]Cc3cc(I)c(OC)c(OC)c3)CC2)c1 ZINC001318631910 1067058016 /nfs/dbraw/zinc/05/80/16/1067058016.db2.gz JDPFUGQGZBIPID-UHFFFAOYSA-N 1 0 482.362 4.076 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC001200760737 1067058628 /nfs/dbraw/zinc/05/86/28/1067058628.db2.gz LLWQTADGFZBYIR-UHFFFAOYSA-N 1 0 452.534 4.114 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)CC1 ZINC001318770427 1067059635 /nfs/dbraw/zinc/05/96/35/1067059635.db2.gz BLVKTUORKCTBDZ-FQEVSTJZSA-N 1 0 458.990 4.216 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC001354741628 1067071136 /nfs/dbraw/zinc/07/11/36/1067071136.db2.gz RSBGUNPQAPVFEV-RRPNLBNLSA-N 1 0 455.602 4.229 20 0 JIADRO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001321288391 1067104586 /nfs/dbraw/zinc/10/45/86/1067104586.db2.gz LHEXUIUJCOFZEU-RUZDIDTESA-N 1 0 479.506 4.491 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001351527774 1067118729 /nfs/dbraw/zinc/11/87/29/1067118729.db2.gz DUKQMWQPRRWVNB-YJBOKZPZSA-N 1 0 455.352 4.429 20 0 JIADRO C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001354815637 1067138829 /nfs/dbraw/zinc/13/88/29/1067138829.db2.gz YJYKBMBJVWXNJW-SFTDATJTSA-N 1 0 451.611 4.316 20 0 JIADRO CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)CCCCC2)CCO1 ZINC001321641162 1067186533 /nfs/dbraw/zinc/18/65/33/1067186533.db2.gz YQCVJNDNDDNRLW-FQEVSTJZSA-N 1 0 453.631 4.266 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492578903 1067191393 /nfs/dbraw/zinc/19/13/93/1067191393.db2.gz ALTPPYRIJCKRKN-BHIFYINESA-N 1 0 469.674 4.069 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001351780128 1067203628 /nfs/dbraw/zinc/20/36/28/1067203628.db2.gz JLOAZIPDDASDFA-AYPBNUJASA-N 1 0 479.518 4.327 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c2ccc(Br)cc2nn1C ZINC001351782044 1067205078 /nfs/dbraw/zinc/20/50/78/1067205078.db2.gz TWUBGGOBBYXAMO-UHFFFAOYSA-N 1 0 459.413 4.445 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492549279 1067210866 /nfs/dbraw/zinc/21/08/66/1067210866.db2.gz WLTSIWHJIUFUTO-FPOVZHCZSA-N 1 0 453.587 4.065 20 0 JIADRO Cc1ccccc1Cc1nnc(N(Cc2ccco2)C(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001492578356 1067211560 /nfs/dbraw/zinc/21/15/60/1067211560.db2.gz GUCJRPNVRDVSGV-UHFFFAOYSA-N 1 0 451.615 4.032 20 0 JIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001351866538 1067229355 /nfs/dbraw/zinc/22/93/55/1067229355.db2.gz XWBVUBAZEWOUMW-UHFFFAOYSA-N 1 0 454.914 4.279 20 0 JIADRO COc1ccc(-c2ncc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)s2)cc1OC ZINC001351892238 1067233644 /nfs/dbraw/zinc/23/36/44/1067233644.db2.gz ZXMKYTXDEIFPMR-UHFFFAOYSA-N 1 0 452.580 4.140 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300744816 1067246450 /nfs/dbraw/zinc/24/64/50/1067246450.db2.gz KIFHJYIFHMXSSI-GGAORHGYSA-N 1 0 455.647 4.025 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300744819 1067246664 /nfs/dbraw/zinc/24/66/64/1067246664.db2.gz KIFHJYIFHMXSSI-JTHBVZDNSA-N 1 0 455.647 4.025 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492549818 1067250024 /nfs/dbraw/zinc/25/00/24/1067250024.db2.gz OSVLGPRZQIDCCI-FKBYEOEOSA-N 1 0 457.688 4.475 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001300749865 1067267275 /nfs/dbraw/zinc/26/72/75/1067267275.db2.gz SKKICZAWNCMXAE-XMMPIXPASA-N 1 0 482.673 4.275 20 0 JIADRO COc1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC001354901085 1067267973 /nfs/dbraw/zinc/26/79/73/1067267973.db2.gz LERUJOAHMASIMK-HHHXNRCGSA-N 1 0 452.595 4.160 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001300757246 1067286406 /nfs/dbraw/zinc/28/64/06/1067286406.db2.gz FPBKMFCXHFGEEZ-WOJBJXKFSA-N 1 0 463.573 4.282 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCCC2)C1 ZINC001300758252 1067290599 /nfs/dbraw/zinc/29/05/99/1067290599.db2.gz CAOXHZCYJJWZFY-SFHVURJKSA-N 1 0 480.426 4.338 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001300758177 1067290643 /nfs/dbraw/zinc/29/06/43/1067290643.db2.gz AVLKQKWQZLPKFV-JOCHJYFZSA-N 1 0 469.033 4.497 20 0 JIADRO Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC001354937974 1067293773 /nfs/dbraw/zinc/29/37/73/1067293773.db2.gz ZMRBIJBUFJQGNS-UHFFFAOYSA-N 1 0 454.636 4.496 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001300761042 1067299760 /nfs/dbraw/zinc/29/97/60/1067299760.db2.gz PMQSXWNFVBHJIU-OAQYLSRUSA-N 1 0 467.614 4.320 20 0 JIADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC001322610865 1067305725 /nfs/dbraw/zinc/30/57/25/1067305725.db2.gz LUZTTWHVBCNORX-UHFFFAOYSA-N 1 0 476.492 4.080 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)cc2Br)[NH+]2CCCC2)cc1 ZINC001323152338 1067315313 /nfs/dbraw/zinc/31/53/13/1067315313.db2.gz YNGKORIUZMCZGU-NRFANRHFSA-N 1 0 487.373 4.349 20 0 JIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001323369330 1067319431 /nfs/dbraw/zinc/31/94/31/1067319431.db2.gz LZSYXZVGJQNPQV-LJQANCHMSA-N 1 0 450.004 4.159 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001300772739 1067323329 /nfs/dbraw/zinc/32/33/29/1067323329.db2.gz LXDMMZMRCUVDFX-IFMALSPDSA-N 1 0 469.655 4.454 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001300772742 1067323523 /nfs/dbraw/zinc/32/35/23/1067323523.db2.gz LXDMMZMRCUVDFX-UNMCSNQZSA-N 1 0 469.655 4.454 20 0 JIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354993148 1067323752 /nfs/dbraw/zinc/32/37/52/1067323752.db2.gz NXXMCWDDDADJLZ-GOSISDBHSA-N 1 0 451.546 4.431 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300774002 1067326882 /nfs/dbraw/zinc/32/68/82/1067326882.db2.gz WAHAGURNVPDPPQ-ZEQRLZLVSA-N 1 0 469.674 4.457 20 0 JIADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001475095402 1067332318 /nfs/dbraw/zinc/33/23/18/1067332318.db2.gz KUCJEOMNZKOPMZ-NRFANRHFSA-N 1 0 453.052 4.315 20 0 JIADRO CCOc1ccc(C2(CNC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)CCOCC2)cc1 ZINC001324142788 1067333818 /nfs/dbraw/zinc/33/38/18/1067333818.db2.gz DPXWORWJDLQCIC-UHFFFAOYSA-N 1 0 465.638 4.359 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001324257637 1067337117 /nfs/dbraw/zinc/33/71/17/1067337117.db2.gz OIRAVYMREHQSNQ-IYBDPMFKSA-N 1 0 451.384 4.262 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300000715 1067337177 /nfs/dbraw/zinc/33/71/77/1067337177.db2.gz KWYPADAQPJHXIE-UHFFFAOYSA-N 1 0 465.646 4.062 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2cscn2)CC1 ZINC001300781766 1067337472 /nfs/dbraw/zinc/33/74/72/1067337472.db2.gz COAKLRMKYOQMDZ-UHFFFAOYSA-N 1 0 454.644 4.236 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001300782059 1067337833 /nfs/dbraw/zinc/33/78/33/1067337833.db2.gz GXDXTYKALSOKJE-UHFFFAOYSA-N 1 0 488.558 4.283 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300782267 1067338619 /nfs/dbraw/zinc/33/86/19/1067338619.db2.gz KEDQWKANXUMBMQ-HDICACEKSA-N 1 0 493.599 4.050 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300001302 1067339097 /nfs/dbraw/zinc/33/90/97/1067339097.db2.gz VVOUZFQUFPOEDN-UGKGYDQZSA-N 1 0 484.670 4.007 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001300782424 1067339614 /nfs/dbraw/zinc/33/96/14/1067339614.db2.gz MKQCRMVOSAJENE-IRXDYDNUSA-N 1 0 480.028 4.241 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001300783131 1067340473 /nfs/dbraw/zinc/34/04/73/1067340473.db2.gz UQOWDKDUSQZQRI-UHFFFAOYSA-N 1 0 467.536 4.435 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001300783332 1067340818 /nfs/dbraw/zinc/34/08/18/1067340818.db2.gz BHQQZXCSVIQHTR-YADHBBJMSA-N 1 0 490.693 4.231 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300002350 1067342715 /nfs/dbraw/zinc/34/27/15/1067342715.db2.gz JIVUYZBOMQUTSS-KDURUIRLSA-N 1 0 497.640 4.388 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300002227 1067342766 /nfs/dbraw/zinc/34/27/66/1067342766.db2.gz LWINNWOEGVLFBB-UHFFFAOYSA-N 1 0 464.614 4.116 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC=CCC2)CC1 ZINC001300784621 1067344020 /nfs/dbraw/zinc/34/40/20/1067344020.db2.gz LBBUHNNMCVFJDO-LJQANCHMSA-N 1 0 457.594 4.213 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC=CCC2)CC1 ZINC001300784620 1067344124 /nfs/dbraw/zinc/34/41/24/1067344124.db2.gz LBBUHNNMCVFJDO-IBGZPJMESA-N 1 0 457.594 4.213 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001300784699 1067344384 /nfs/dbraw/zinc/34/43/84/1067344384.db2.gz DLOAGODJXZPPJP-RBBKRZOGSA-N 1 0 461.695 4.467 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001300784796 1067344598 /nfs/dbraw/zinc/34/45/98/1067344598.db2.gz GJUKBMNGULUEHH-QHCPKHFHSA-N 1 0 487.664 4.473 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001300785026 1067345469 /nfs/dbraw/zinc/34/54/69/1067345469.db2.gz ODUZEPKMYOEPPK-APWZRJJASA-N 1 0 450.052 4.322 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1C ZINC001200004528 1067345576 /nfs/dbraw/zinc/34/55/76/1067345576.db2.gz XKURKFOGKKHQQE-HSZRJFAPSA-N 1 0 458.628 4.131 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C)CC2)CC1 ZINC001300785531 1067346906 /nfs/dbraw/zinc/34/69/06/1067346906.db2.gz FIARQUJNZHHWQP-FGZHOGPDSA-N 1 0 461.695 4.322 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001300003254 1067347073 /nfs/dbraw/zinc/34/70/73/1067347073.db2.gz RPEOZEROFVEYCR-MRXNPFEDSA-N 1 0 474.403 4.430 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)CC1 ZINC001300785713 1067347770 /nfs/dbraw/zinc/34/77/70/1067347770.db2.gz MWOSOGZFPYLEOL-QFIPXVFZSA-N 1 0 491.721 4.093 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001300785899 1067348072 /nfs/dbraw/zinc/34/80/72/1067348072.db2.gz OUAOSCCEAYINFU-GOSISDBHSA-N 1 0 462.708 4.453 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300003709 1067348336 /nfs/dbraw/zinc/34/83/36/1067348336.db2.gz RCWDTNQJTYVWHD-QZTJIDSGSA-N 1 0 484.670 4.243 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001300786834 1067349734 /nfs/dbraw/zinc/34/97/34/1067349734.db2.gz SGRPBBZUSJADIU-UUWRZZSWSA-N 1 0 487.714 4.199 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC2CCC2)CC1 ZINC001300786743 1067349941 /nfs/dbraw/zinc/34/99/41/1067349941.db2.gz PJOGOMCCBWBERH-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300005874 1067353752 /nfs/dbraw/zinc/35/37/52/1067353752.db2.gz KPRLPBCUHUZHMP-GOSISDBHSA-N 1 0 472.037 4.097 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001300005934 1067354157 /nfs/dbraw/zinc/35/41/57/1067354157.db2.gz IAXJJWVEVKCZLL-HNNXBMFYSA-N 1 0 489.418 4.133 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300007090 1067356695 /nfs/dbraw/zinc/35/66/95/1067356695.db2.gz XJQOMICCAHYRPH-SFHVURJKSA-N 1 0 470.643 4.320 20 0 JIADRO COC1CC[NH+](C2(Cn3c(Cc4csc(C)n4)nnc3N(C)CCC(F)F)CCCC2)CC1 ZINC001300789948 1067359029 /nfs/dbraw/zinc/35/90/29/1067359029.db2.gz AOBVRVGZIRZPQC-UHFFFAOYSA-N 1 0 482.645 4.149 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300008646 1067359653 /nfs/dbraw/zinc/35/96/53/1067359653.db2.gz ILWGFLYTHHVAFH-LJQANCHMSA-N 1 0 462.436 4.293 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC2([NH+](C)C)CCOCC2)cc1Br ZINC001300009061 1067360034 /nfs/dbraw/zinc/36/00/34/1067360034.db2.gz MRGDGDPCFKINRS-UHFFFAOYSA-N 1 0 492.462 4.063 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001492554964 1067373079 /nfs/dbraw/zinc/37/30/79/1067373079.db2.gz ZRUGRZFYBWTJCQ-VABKMULXSA-N 1 0 487.714 4.341 20 0 JIADRO CC[NH+](CC)CCN(C(=S)NC[C@@H]1CCCO1)[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001200025019 1067375024 /nfs/dbraw/zinc/37/50/24/1067375024.db2.gz RNPBYGMTTAOJRH-XZOQPEGZSA-N 1 0 463.688 4.014 20 0 JIADRO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001300016763 1067376648 /nfs/dbraw/zinc/37/66/48/1067376648.db2.gz FARRMMYOBAULFR-SQJMNOBHSA-N 1 0 496.700 4.301 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300017199 1067378429 /nfs/dbraw/zinc/37/84/29/1067378429.db2.gz MLQQIGMVSCSNSB-YADHBBJMSA-N 1 0 471.646 4.088 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492581006 1067378903 /nfs/dbraw/zinc/37/89/03/1067378903.db2.gz TYZFPNLELOJZTM-GPXNEJASSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCC(=O)N(C)C ZINC001492581723 1067386170 /nfs/dbraw/zinc/38/61/70/1067386170.db2.gz OWKTVKBYPKFONO-HSZRJFAPSA-N 1 0 480.701 4.137 20 0 JIADRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc(C(=O)OC)c1 ZINC001355209204 1067389485 /nfs/dbraw/zinc/38/94/85/1067389485.db2.gz SHTPIOQNTGJDKG-BJKOFHAPSA-N 1 0 464.562 4.137 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027368 1067401521 /nfs/dbraw/zinc/40/15/21/1067401521.db2.gz MPNLIBBSRAXDCQ-RTBURBONSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027454 1067402590 /nfs/dbraw/zinc/40/25/90/1067402590.db2.gz OWXVJZGTJJCBLP-HZPDHXFCSA-N 1 0 467.536 4.224 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300028932 1067409706 /nfs/dbraw/zinc/40/97/06/1067409706.db2.gz FPDKEBTYIWIDBM-NRFANRHFSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300031771 1067422826 /nfs/dbraw/zinc/42/28/26/1067422826.db2.gz BBJMOUSLYAKCNP-UWUFEASWSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300040540 1067462786 /nfs/dbraw/zinc/46/27/86/1067462786.db2.gz TYYVRCUNUYHMKK-UHFFFAOYSA-N 1 0 485.673 4.073 20 0 JIADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001355493185 1067488284 /nfs/dbraw/zinc/48/82/84/1067488284.db2.gz JUPJMIJBUFONKL-MRXNPFEDSA-N 1 0 451.583 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)c2nc(C)cs2)cc1OC ZINC001300044885 1067490625 /nfs/dbraw/zinc/49/06/25/1067490625.db2.gz WVSUPYBZJVFMLK-QGZVFWFLSA-N 1 0 484.670 4.498 20 0 JIADRO CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355528518 1067500151 /nfs/dbraw/zinc/50/01/51/1067500151.db2.gz DSBHRVZATXPHTO-BJKOFHAPSA-N 1 0 451.611 4.418 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300048552 1067503099 /nfs/dbraw/zinc/50/30/99/1067503099.db2.gz BJZGBGSLDIGZEN-GMAHTHKFSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300049207 1067504834 /nfs/dbraw/zinc/50/48/34/1067504834.db2.gz HYCDTJVMCQZIRT-JOCHJYFZSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300049922 1067507017 /nfs/dbraw/zinc/50/70/17/1067507017.db2.gz LWYAITNKLQEXEJ-IEBWSBKVSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300050863 1067511551 /nfs/dbraw/zinc/51/15/51/1067511551.db2.gz VPAYJFFZUFQADU-BHIFYINESA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300050903 1067511683 /nfs/dbraw/zinc/51/16/83/1067511683.db2.gz VYBABHWIVJSLLR-VWNXMTODSA-N 1 0 455.647 4.183 20 0 JIADRO O=C(CCc1cc(Cl)ccc1Br)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355566741 1067512783 /nfs/dbraw/zinc/51/27/83/1067512783.db2.gz KSJLZUOKKDNXQZ-UHFFFAOYSA-N 1 0 457.840 4.434 20 0 JIADRO Cc1c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)nnn1-c1ccccc1Br ZINC001355575754 1067513450 /nfs/dbraw/zinc/51/34/50/1067513450.db2.gz ARSAGUJCJAHEIF-UHFFFAOYSA-N 1 0 454.372 4.079 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300052111 1067520351 /nfs/dbraw/zinc/52/03/51/1067520351.db2.gz VKAQGEMCFALVFM-AREMUKBSSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001300052115 1067520975 /nfs/dbraw/zinc/52/09/75/1067520975.db2.gz VNGWDTJENOQAFV-FNZWTVRRSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300052403 1067522896 /nfs/dbraw/zinc/52/28/96/1067522896.db2.gz XAIIWRPZBZNZMB-HOFKKMOUSA-N 1 0 485.673 4.478 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492582262 1067523379 /nfs/dbraw/zinc/52/33/79/1067523379.db2.gz BMCOOTHQDHRGTL-QHCPKHFHSA-N 1 0 480.701 4.039 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](n4cc(C)cn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054935 1067534091 /nfs/dbraw/zinc/53/40/91/1067534091.db2.gz AAOWCQVNJBVCAN-XZOQPEGZSA-N 1 0 495.672 4.285 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC(C)(C)SC)cc1OC ZINC001300055275 1067535415 /nfs/dbraw/zinc/53/54/15/1067535415.db2.gz DANWZONBJVPNEL-LJQANCHMSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300055978 1067538293 /nfs/dbraw/zinc/53/82/93/1067538293.db2.gz DPXKXAKKXDFIRR-IFMALSPDSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c(OC)c1 ZINC001300057085 1067543407 /nfs/dbraw/zinc/54/34/07/1067543407.db2.gz SENPBRIEBWHJJX-IRLDBZIGSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300057667 1067547144 /nfs/dbraw/zinc/54/71/44/1067547144.db2.gz XTAZHSRSALKZHI-RTBURBONSA-N 1 0 471.646 4.229 20 0 JIADRO COC(=O)/C=C/c1ccc(OC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001352580259 1067552183 /nfs/dbraw/zinc/55/21/83/1067552183.db2.gz MDXIMKLOEFMZFK-XYDKVEKUSA-N 1 0 453.535 4.354 20 0 JIADRO COC(=O)/C=C/c1ccc(OC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001352580258 1067552563 /nfs/dbraw/zinc/55/25/63/1067552563.db2.gz MDXIMKLOEFMZFK-XUDAUXSOSA-N 1 0 453.535 4.354 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300060253 1067558337 /nfs/dbraw/zinc/55/83/37/1067558337.db2.gz NLBGXELUDCJYCK-SXWKCWPCSA-N 1 0 455.647 4.466 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001355717020 1067561530 /nfs/dbraw/zinc/56/15/30/1067561530.db2.gz VYRDPSKEKUDXMD-IAGOWNOFSA-N 1 0 453.027 4.360 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492584386 1067562537 /nfs/dbraw/zinc/56/25/37/1067562537.db2.gz JTMVZKKPAVTWIL-HSZRJFAPSA-N 1 0 494.728 4.430 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492583787 1067564926 /nfs/dbraw/zinc/56/49/26/1067564926.db2.gz UXOFKEIRMKIOIN-RUZDIDTESA-N 1 0 483.701 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300061664 1067566197 /nfs/dbraw/zinc/56/61/97/1067566197.db2.gz MIAMHWSAKXTQMN-JTHBVZDNSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2ncc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)s2)cc1OC ZINC001355799857 1067583095 /nfs/dbraw/zinc/58/30/95/1067583095.db2.gz KGSREKHGBUZCHS-UHFFFAOYSA-N 1 0 451.592 4.264 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC001352630974 1067591869 /nfs/dbraw/zinc/59/18/69/1067591869.db2.gz MDQUYJUFIMAROF-AJTFRIOCSA-N 1 0 463.528 4.109 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)c2c(C)noc2C)c(OC)c1 ZINC001300072159 1067594445 /nfs/dbraw/zinc/59/44/45/1067594445.db2.gz YQHALUAKPVLENJ-GOSISDBHSA-N 1 0 482.629 4.149 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)c2c(C)noc2C)c(OC)c1 ZINC001300072162 1067594466 /nfs/dbraw/zinc/59/44/66/1067594466.db2.gz YQHALUAKPVLENJ-SFHVURJKSA-N 1 0 482.629 4.149 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2C[C@H](SC)C(C)(C)C)cc1OC ZINC001300075401 1067600218 /nfs/dbraw/zinc/60/02/18/1067600218.db2.gz KSVQUKGZCFPLRR-QFIPXVFZSA-N 1 0 473.687 4.272 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC(=O)N2CCCCCC2)cc1 ZINC001300075479 1067600707 /nfs/dbraw/zinc/60/07/07/1067600707.db2.gz MVACFQFJLPAHBQ-UHFFFAOYSA-N 1 0 496.700 4.305 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cc1 ZINC001355897426 1067600722 /nfs/dbraw/zinc/60/07/22/1067600722.db2.gz PKSMLEUYLAZUED-OUOWLKGYSA-N 1 0 451.615 4.121 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076421 1067603561 /nfs/dbraw/zinc/60/35/61/1067603561.db2.gz OSPJMASFWIEOKW-JTHBVZDNSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001352678264 1067620204 /nfs/dbraw/zinc/62/02/04/1067620204.db2.gz MRQCTHYOOWPEBJ-UHFFFAOYSA-N 1 0 451.546 4.018 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001300086669 1067630265 /nfs/dbraw/zinc/63/02/65/1067630265.db2.gz AFRASSGHANXVBC-QGZVFWFLSA-N 1 0 482.492 4.246 20 0 JIADRO CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001356026450 1067638299 /nfs/dbraw/zinc/63/82/99/1067638299.db2.gz DHPXVDXJFSEDQW-DNQXCXABSA-N 1 0 461.631 4.129 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001300088881 1067639362 /nfs/dbraw/zinc/63/93/62/1067639362.db2.gz NCLFAKPPCHRURP-IBGZPJMESA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001300089976 1067643819 /nfs/dbraw/zinc/64/38/19/1067643819.db2.gz VHEAHSPTEWAQLJ-HKUYNNGSSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300090266 1067644468 /nfs/dbraw/zinc/64/44/68/1067644468.db2.gz ZEJDVVCCOIENID-SJBKTWHCSA-N 1 0 498.672 4.178 20 0 JIADRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001352722357 1067652880 /nfs/dbraw/zinc/65/28/80/1067652880.db2.gz IFKYQRYLHYULCO-RTWAWAEBSA-N 1 0 458.400 4.233 20 0 JIADRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001352722359 1067652936 /nfs/dbraw/zinc/65/29/36/1067652936.db2.gz IFKYQRYLHYULCO-SFTDATJTSA-N 1 0 458.400 4.233 20 0 JIADRO COc1ccc(C2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001300096935 1067661859 /nfs/dbraw/zinc/66/18/59/1067661859.db2.gz PVKBMDNGEXUJBO-OAQYLSRUSA-N 1 0 469.674 4.469 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300099063 1067669098 /nfs/dbraw/zinc/66/90/98/1067669098.db2.gz AYGOTJCYMAWBOU-YADHBBJMSA-N 1 0 464.658 4.339 20 0 JIADRO COc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1I ZINC001356139475 1067670431 /nfs/dbraw/zinc/67/04/31/1067670431.db2.gz PEBIGOWBAGXXGD-UHFFFAOYSA-N 1 0 450.320 4.190 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC001300099576 1067671503 /nfs/dbraw/zinc/67/15/03/1067671503.db2.gz HYQWRUAUXFTYMB-FYYLOGMGSA-N 1 0 469.674 4.370 20 0 JIADRO C[C@@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)N1CCOCC1 ZINC001200123103 1067687249 /nfs/dbraw/zinc/68/72/49/1067687249.db2.gz XWDYHHRXIDAEAV-IMIIHFCZSA-N 1 0 450.627 4.358 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300104954 1067688301 /nfs/dbraw/zinc/68/83/01/1067688301.db2.gz LEFDMELPVHSXTP-HFMPRLQTSA-N 1 0 496.700 4.063 20 0 JIADRO Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)ccc1-c1ccc(Br)cc1 ZINC001356228350 1067699257 /nfs/dbraw/zinc/69/92/57/1067699257.db2.gz KBDPJGGGLUZQSW-GOSISDBHSA-N 1 0 454.368 4.424 20 0 JIADRO O=C(c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CC2CCCCC2)CC1 ZINC001356250646 1067707369 /nfs/dbraw/zinc/70/73/69/1067707369.db2.gz JUNVULBKBHJRTK-UHFFFAOYSA-N 1 0 455.912 4.278 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(F)(F)c1ncccc1Br ZINC001356283369 1067716141 /nfs/dbraw/zinc/71/61/41/1067716141.db2.gz QIGOEZVOXNZOSW-UHFFFAOYSA-N 1 0 456.356 4.432 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300113328 1067718147 /nfs/dbraw/zinc/71/81/47/1067718147.db2.gz DNVZFCMZUUXKQJ-NRFANRHFSA-N 1 0 469.674 4.198 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCC(=O)NCc2ccccc2)c1 ZINC001356294226 1067718456 /nfs/dbraw/zinc/71/84/56/1067718456.db2.gz IKKTTZVUDRBBIB-RRPNLBNLSA-N 1 0 455.602 4.033 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cccs3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001300113525 1067719059 /nfs/dbraw/zinc/71/90/59/1067719059.db2.gz CYUIZDCVNWOHIB-UHFFFAOYSA-N 1 0 483.682 4.005 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(-c3cncnc3)cc2F)CC1 ZINC001356338048 1067728504 /nfs/dbraw/zinc/72/85/04/1067728504.db2.gz HXFFBKFNWJWOGY-QGZVFWFLSA-N 1 0 451.521 4.055 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001356353694 1067733710 /nfs/dbraw/zinc/73/37/10/1067733710.db2.gz BNTVYZDFAYAGGG-PWHSHALESA-N 1 0 453.583 4.235 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300120046 1067735924 /nfs/dbraw/zinc/73/59/24/1067735924.db2.gz DQJSWUNKRRAQQI-WXVAWEFUSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001300127595 1067759051 /nfs/dbraw/zinc/75/90/51/1067759051.db2.gz SZAJYVXZPXCCLM-LADGPHEKSA-N 1 0 483.701 4.445 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C[N@@H+]1Cc1ccccc1 ZINC001356501006 1067765314 /nfs/dbraw/zinc/76/53/14/1067765314.db2.gz ICCOKDNWOGBHIA-POTDMOMCSA-N 1 0 455.643 4.441 20 0 JIADRO Cc1cccc(COc2cccc(CC(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)c2)c1 ZINC001356514303 1067768548 /nfs/dbraw/zinc/76/85/48/1067768548.db2.gz MEYKIGPKWXBNDQ-UHFFFAOYSA-N 1 0 459.546 4.225 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(I)c(F)c1 ZINC001352861217 1067771942 /nfs/dbraw/zinc/77/19/42/1067771942.db2.gz HATKPZQYBMKATG-UHFFFAOYSA-N 1 0 454.327 4.415 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001352869603 1067776761 /nfs/dbraw/zinc/77/67/61/1067776761.db2.gz ZLNXJNQUHZRPGL-UHFFFAOYSA-N 1 0 453.436 4.005 20 0 JIADRO CCOC(=O)[C@@]1(NC(=S)Nc2ccc(C)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001200156785 1067779151 /nfs/dbraw/zinc/77/91/51/1067779151.db2.gz QQOLXQNXUMXJER-JOCHJYFZSA-N 1 0 476.440 4.252 20 0 JIADRO O=C(N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001352880731 1067780250 /nfs/dbraw/zinc/78/02/50/1067780250.db2.gz MBAOYAQPZOCUSA-UHFFFAOYSA-N 1 0 459.928 4.272 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC001352893610 1067788311 /nfs/dbraw/zinc/78/83/11/1067788311.db2.gz NZJBXDFVJPBOAB-IARZGTGTSA-N 1 0 469.629 4.026 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)cc(Br)c2F)c1 ZINC001356612375 1067789985 /nfs/dbraw/zinc/78/99/85/1067789985.db2.gz KESRKXVCXGFZCS-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1OC ZINC000849062261 1067791538 /nfs/dbraw/zinc/79/15/38/1067791538.db2.gz XQDRJWYGBGQCDH-JOCHJYFZSA-N 1 0 464.635 4.221 20 0 JIADRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CC1 ZINC000849068899 1067795743 /nfs/dbraw/zinc/79/57/43/1067795743.db2.gz WPCPLHNNFZFSQM-NRFANRHFSA-N 1 0 475.634 4.111 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000849067535 1067795820 /nfs/dbraw/zinc/79/58/20/1067795820.db2.gz KZKKIKSNBHKHGZ-CYBMUJFWSA-N 1 0 457.427 4.445 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000849072485 1067796660 /nfs/dbraw/zinc/79/66/60/1067796660.db2.gz OFUHEHMSWJCZJQ-AWEZNQCLSA-N 1 0 455.411 4.153 20 0 JIADRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cc1 ZINC000849071653 1067796716 /nfs/dbraw/zinc/79/67/16/1067796716.db2.gz QGMWNAVNWKVLBU-UHFFFAOYSA-N 1 0 470.570 4.228 20 0 JIADRO [NH2+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849074869 1067797201 /nfs/dbraw/zinc/79/72/01/1067797201.db2.gz JFOOCKHNIRXMSR-UHFFFAOYSA-N 1 0 455.238 4.269 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cc(OC)c(OC)cc2Br)c1 ZINC000849074821 1067797379 /nfs/dbraw/zinc/79/73/79/1067797379.db2.gz BPYFQVUEKVMRRR-UHFFFAOYSA-N 1 0 452.349 4.400 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC001300149762 1067805193 /nfs/dbraw/zinc/80/51/93/1067805193.db2.gz PSXYPRYPUWVBQZ-OAQYLSRUSA-N 1 0 455.647 4.191 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC ZINC001357116161 1067806305 /nfs/dbraw/zinc/80/63/05/1067806305.db2.gz IDTGEZSOXZNGIJ-OAQYLSRUSA-N 1 0 453.583 4.050 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC(F)F ZINC001300159108 1067815303 /nfs/dbraw/zinc/81/53/03/1067815303.db2.gz QCVZDTYAWBBVOQ-OAHLLOKOSA-N 1 0 451.562 4.305 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC(F)F ZINC001300159296 1067815617 /nfs/dbraw/zinc/81/56/17/1067815617.db2.gz XGHAYXQAROODSY-INIZCTEOSA-N 1 0 451.562 4.306 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC2([NH+]3CCSCC3)CCCC2)cc1O ZINC001300159240 1067815629 /nfs/dbraw/zinc/81/56/29/1067815629.db2.gz VHJJVXIMDWLOQM-UHFFFAOYSA-N 1 0 459.660 4.114 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC001300162374 1067817443 /nfs/dbraw/zinc/81/74/43/1067817443.db2.gz LEHVFTSQGPVDNY-PMACEKPBSA-N 1 0 466.605 4.492 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001300162774 1067818396 /nfs/dbraw/zinc/81/83/96/1067818396.db2.gz SJWMMGBZIBOXLZ-QHCPKHFHSA-N 1 0 450.631 4.357 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC001300163981 1067821132 /nfs/dbraw/zinc/82/11/32/1067821132.db2.gz FOXNWDKFOPRXKR-KDURUIRLSA-N 1 0 466.630 4.380 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300164538 1067822027 /nfs/dbraw/zinc/82/20/27/1067822027.db2.gz TXVOJJMXLCXIPC-HOFKKMOUSA-N 1 0 485.673 4.084 20 0 JIADRO CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(C[NH+]4CCSCC4)cc3C)CC2=O)cc1 ZINC001357284178 1067830496 /nfs/dbraw/zinc/83/04/96/1067830496.db2.gz HPJCNQCJIBUIRA-JOCHJYFZSA-N 1 0 451.636 4.488 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300174359 1067833778 /nfs/dbraw/zinc/83/37/78/1067833778.db2.gz SHZJPNRSBYGMSV-CTNGQTDRSA-N 1 0 459.610 4.078 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300176227 1067835737 /nfs/dbraw/zinc/83/57/37/1067835737.db2.gz MIHPQCQFFZKQQK-XMMPIXPASA-N 1 0 462.642 4.277 20 0 JIADRO CN(CCOc1ccccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1)C(=O)OC(C)(C)C ZINC001357354485 1067838124 /nfs/dbraw/zinc/83/81/24/1067838124.db2.gz MNCFGDFPZVLJLO-UHFFFAOYSA-N 1 0 457.571 4.125 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300178464 1067839327 /nfs/dbraw/zinc/83/93/27/1067839327.db2.gz ARDDJHKLVZITPL-UBFVSLLYSA-N 1 0 499.700 4.199 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300179628 1067842415 /nfs/dbraw/zinc/84/24/15/1067842415.db2.gz BKGSEQBMYPLTRW-QFIPXVFZSA-N 1 0 479.654 4.149 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300180274 1067843219 /nfs/dbraw/zinc/84/32/19/1067843219.db2.gz KUTAACPCYDAUDH-DEOSSOPVSA-N 1 0 455.647 4.013 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300180800 1067843478 /nfs/dbraw/zinc/84/34/78/1067843478.db2.gz SKEHHGUCRVMSAZ-VWLOTQADSA-N 1 0 479.673 4.295 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C2CC2)cc1 ZINC001300181334 1067844081 /nfs/dbraw/zinc/84/40/81/1067844081.db2.gz CLFYCAGRPRCVOX-UHFFFAOYSA-N 1 0 455.647 4.469 20 0 JIADRO COc1ccc(CN(CC2CC2)c2nnc(C(C)(C)C)n2CC[NH+]2CCCCC2)c(OC)c1 ZINC001300182566 1067845066 /nfs/dbraw/zinc/84/50/66/1067845066.db2.gz SZLZQKZLQIHASL-UHFFFAOYSA-N 1 0 455.647 4.495 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccc4cccc(Br)c43)cc21 ZINC001357428038 1067848597 /nfs/dbraw/zinc/84/85/97/1067848597.db2.gz WRKFFFXAYSVLEA-UHFFFAOYSA-N 1 0 454.324 4.324 20 0 JIADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC001473279967 1067861846 /nfs/dbraw/zinc/86/18/46/1067861846.db2.gz USINXPWZBXPNOL-MJGOQNOKSA-N 1 0 452.437 4.349 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001200221304 1067862186 /nfs/dbraw/zinc/86/21/86/1067862186.db2.gz DEZZFLOUGKQZFF-TZIWHRDSSA-N 1 0 489.483 4.381 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC001357603712 1067876356 /nfs/dbraw/zinc/87/63/56/1067876356.db2.gz FUMGKCGRTGXXAB-NRFANRHFSA-N 1 0 456.587 4.053 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)C1 ZINC001357644928 1067881775 /nfs/dbraw/zinc/88/17/75/1067881775.db2.gz MJCSWBWPNSQELA-CQSZACIVSA-N 1 0 450.764 4.052 20 0 JIADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001357649741 1067882078 /nfs/dbraw/zinc/88/20/78/1067882078.db2.gz WEXSWVPGMKPFCP-AWEZNQCLSA-N 1 0 450.352 4.296 20 0 JIADRO CN(C(=O)CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001473295498 1067884440 /nfs/dbraw/zinc/88/44/40/1067884440.db2.gz LGKQMMBQIOXARW-UHFFFAOYSA-N 1 0 457.618 4.463 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC001300215507 1067885584 /nfs/dbraw/zinc/88/55/84/1067885584.db2.gz AFXHECNQUHGZSN-IBGZPJMESA-N 1 0 495.590 4.101 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2=O)cc1 ZINC001300231158 1067912746 /nfs/dbraw/zinc/91/27/46/1067912746.db2.gz SRYZIQLMFNITSL-XMMPIXPASA-N 1 0 496.700 4.017 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ncoc3-c3ccc(F)cc3)cc2)C[C@@H]1C ZINC001357908234 1067938834 /nfs/dbraw/zinc/93/88/34/1067938834.db2.gz ZSOHVJGOBKNOKY-OALUTQOASA-N 1 0 451.542 4.420 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067947861 /nfs/dbraw/zinc/94/78/61/1067947861.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 1 0 482.717 4.169 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001492561295 1067964305 /nfs/dbraw/zinc/96/43/05/1067964305.db2.gz BVCIOSHLHOUNFS-JOCHJYFZSA-N 1 0 466.674 4.117 20 0 JIADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003910 1067981158 /nfs/dbraw/zinc/98/11/58/1067981158.db2.gz JTDUEQXRGBTSNO-OAQYLSRUSA-N 1 0 452.426 4.323 20 0 JIADRO C[C@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358029344 1067992149 /nfs/dbraw/zinc/99/21/49/1067992149.db2.gz OWHUCXLGAQFWKV-INIZCTEOSA-N 1 0 456.562 4.255 20 0 JIADRO C[C@@H]1[C@@H](C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001358051556 1068003788 /nfs/dbraw/zinc/00/37/88/1068003788.db2.gz XNJCLNCTJOQZLM-NQIIRXRSSA-N 1 0 458.603 4.085 20 0 JIADRO COc1ccc(OC)c(CCCn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300254421 1068011562 /nfs/dbraw/zinc/01/15/62/1068011562.db2.gz POTVQMPLGIUDJJ-HSZRJFAPSA-N 1 0 471.646 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C(C)C)nc3onc(C)c32)CC1 ZINC001358078223 1068012553 /nfs/dbraw/zinc/01/25/53/1068012553.db2.gz TVAWJDUKNKFEMX-INIZCTEOSA-N 1 0 453.562 4.427 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492562132 1068013420 /nfs/dbraw/zinc/01/34/20/1068013420.db2.gz FZXBASJVZOEEJP-FSSWDIPSSA-N 1 0 482.673 4.477 20 0 JIADRO CCN1C(=O)C[C@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1cccc(C)c1 ZINC001358095242 1068017723 /nfs/dbraw/zinc/01/77/23/1068017723.db2.gz IQEJJHLCEIDIEO-UKILVPOCSA-N 1 0 451.636 4.135 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492562703 1068018246 /nfs/dbraw/zinc/01/82/46/1068018246.db2.gz XFUMMDYXZZRUCE-AZUAARDMSA-N 1 0 451.537 4.141 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)c2C1 ZINC001358122132 1068024155 /nfs/dbraw/zinc/02/41/55/1068024155.db2.gz QBZFXKQNZXFHTD-HFJWLAOPSA-N 1 0 454.615 4.124 20 0 JIADRO CC(=O)N[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328772 1068029197 /nfs/dbraw/zinc/02/91/97/1068029197.db2.gz QXAIHZUKGHQSHN-OPAMFIHVSA-N 1 0 458.400 4.497 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001492563942 1068047646 /nfs/dbraw/zinc/04/76/46/1068047646.db2.gz RCPHUOYBTGQMLI-JGCGQSQUSA-N 1 0 457.688 4.111 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300270253 1068048517 /nfs/dbraw/zinc/04/85/17/1068048517.db2.gz RZVHJTXNKUQUNJ-SZPZYZBQSA-N 1 0 485.673 4.237 20 0 JIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC001358251070 1068051225 /nfs/dbraw/zinc/05/12/25/1068051225.db2.gz OLNPHXVRNLRVAK-UHFFFAOYSA-N 1 0 457.574 4.243 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492564325 1068052424 /nfs/dbraw/zinc/05/24/24/1068052424.db2.gz DVZOICYBFJWAFM-HSZRJFAPSA-N 1 0 466.674 4.115 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360429 1068059609 /nfs/dbraw/zinc/05/96/09/1068059609.db2.gz OWOOQLOZOXIASH-LEWJYISDSA-N 1 0 457.384 4.129 20 0 JIADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001358288839 1068061338 /nfs/dbraw/zinc/06/13/38/1068061338.db2.gz ZKGUVCIJEDBRGF-QGZVFWFLSA-N 1 0 455.400 4.235 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492564587 1068067342 /nfs/dbraw/zinc/06/73/42/1068067342.db2.gz MKFAKMQQHOYCON-IRLDBZIGSA-N 1 0 468.646 4.039 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300279168 1068067614 /nfs/dbraw/zinc/06/76/14/1068067614.db2.gz WNWWNQVBEJZAKM-VXKWHMMOSA-N 1 0 483.657 4.300 20 0 JIADRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001473366403 1068072368 /nfs/dbraw/zinc/07/23/68/1068072368.db2.gz SPJGKRLZHBYVGM-UYAOXDASSA-N 1 0 457.640 4.411 20 0 JIADRO 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CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358469873 1068098579 /nfs/dbraw/zinc/09/85/79/1068098579.db2.gz CVEKJTJRKBNBPX-LJQANCHMSA-N 1 0 458.628 4.213 20 0 JIADRO C[NH+](C)CCN1CCC(NC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 ZINC000510213408 1068157779 /nfs/dbraw/zinc/15/77/79/1068157779.db2.gz SYCVZRBTJGBFGF-UHFFFAOYSA-N 1 0 489.498 4.285 20 0 JIADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001353473131 1068178552 /nfs/dbraw/zinc/17/85/52/1068178552.db2.gz VYXZOGRJVUXEOH-OAQYLSRUSA-N 1 0 459.428 4.425 20 0 JIADRO COc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300310945 1068187691 /nfs/dbraw/zinc/18/76/91/1068187691.db2.gz OKVQCOOZSIMOLA-AWRGLXIESA-N 1 0 485.673 4.410 20 0 JIADRO CC(C)Oc1c(Cl)cccc1NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001200364272 1068252174 /nfs/dbraw/zinc/25/21/74/1068252174.db2.gz FGYATCBZQPIHQP-UHFFFAOYSA-N 1 0 454.999 4.238 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cscn2)[NH+](C)C)c1 ZINC001300334407 1068300754 /nfs/dbraw/zinc/30/07/54/1068300754.db2.gz HIRODRICDAUILY-HXUWFJFHSA-N 1 0 484.029 4.398 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)s2)cc1 ZINC000518166019 1068303544 /nfs/dbraw/zinc/30/35/44/1068303544.db2.gz SOECFTKZSSNWBU-KDURUIRLSA-N 1 0 465.623 4.368 20 0 JIADRO COc1ccc(CNc2nnc(SCC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)s2)cc1 ZINC000614007486 1068306308 /nfs/dbraw/zinc/30/63/08/1068306308.db2.gz UGHLQKFIAWMKLL-UHFFFAOYSA-N 1 0 497.690 4.294 20 0 JIADRO COc1cccc([C@H](CNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)[NH+]2CCCC2)c1 ZINC000518683230 1068309428 /nfs/dbraw/zinc/30/94/28/1068309428.db2.gz NDXDLMYVLUKCSZ-NRFANRHFSA-N 1 0 451.596 4.405 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)[NH+]2CCCC2)c1 ZINC001300335951 1068309693 /nfs/dbraw/zinc/30/96/93/1068309693.db2.gz XKEWVCWXFMFOKO-HXUWFJFHSA-N 1 0 472.037 4.271 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC001353547056 1068313033 /nfs/dbraw/zinc/31/30/33/1068313033.db2.gz MZXSASLHPLYZJM-MRXNPFEDSA-N 1 0 458.400 4.250 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C)[C@H]2C)[NH+](C)C)c1 ZINC001300338536 1068317493 /nfs/dbraw/zinc/31/74/93/1068317493.db2.gz CKMVNMDAMYGINA-PWHSHALESA-N 1 0 466.655 4.290 20 0 JIADRO C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165592 1068321395 /nfs/dbraw/zinc/32/13/95/1068321395.db2.gz OYKANGMVVQOKPE-NQIIRXRSSA-N 1 0 467.664 4.064 20 0 JIADRO C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165594 1068321696 /nfs/dbraw/zinc/32/16/96/1068321696.db2.gz OYKANGMVVQOKPE-WIYYLYMNSA-N 1 0 467.664 4.064 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@@H](C)CC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300340513 1068323724 /nfs/dbraw/zinc/32/37/24/1068323724.db2.gz MEBKACDURSMNFZ-QURRFSBHSA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCCO)CC2)[NH+](C)C)c1 ZINC001300340809 1068325340 /nfs/dbraw/zinc/32/53/40/1068325340.db2.gz PAZPMIWAVKGUNF-QHCPKHFHSA-N 1 0 457.663 4.167 20 0 JIADRO C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521179832 1068330221 /nfs/dbraw/zinc/33/02/21/1068330221.db2.gz HRKJOICJHBMCID-YLJYHZDGSA-N 1 0 453.637 4.022 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001300342520 1068332163 /nfs/dbraw/zinc/33/21/63/1068332163.db2.gz CDXNVOVMEXPNOL-LJQANCHMSA-N 1 0 474.403 4.286 20 0 JIADRO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)ccc1OC ZINC001353567616 1068332865 /nfs/dbraw/zinc/33/28/65/1068332865.db2.gz SPHJIGPMBCBVQJ-BJKOFHAPSA-N 1 0 450.579 4.036 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC(Cn3cc(C)cn3)CC2)[NH+](C)C)c1 ZINC001300343101 1068334226 /nfs/dbraw/zinc/33/42/26/1068334226.db2.gz ZOQLDCZBRHZQAT-RUZDIDTESA-N 1 0 479.673 4.210 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nnc(NCc4ccccc4)s3)CC2)cc1 ZINC000524511358 1068353218 /nfs/dbraw/zinc/35/32/18/1068353218.db2.gz ODKJXJIAARXHBM-UHFFFAOYSA-N 1 0 467.664 4.285 20 0 JIADRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001474123583 1068358136 /nfs/dbraw/zinc/35/81/36/1068358136.db2.gz RJLNOVUIQUHGQG-KRWDZBQOSA-N 1 0 453.327 4.374 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cccs3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001300350669 1068360389 /nfs/dbraw/zinc/36/03/89/1068360389.db2.gz JVYPDCIABMJPIH-UHFFFAOYSA-N 1 0 457.669 4.479 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300350861 1068361583 /nfs/dbraw/zinc/36/15/83/1068361583.db2.gz OLKKVQUJUXGMLQ-RTBURBONSA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300351705 1068363861 /nfs/dbraw/zinc/36/38/61/1068363861.db2.gz PNQKRFPPAOZAFK-VXKWHMMOSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCC(F)F)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC001300353492 1068368918 /nfs/dbraw/zinc/36/89/18/1068368918.db2.gz QFYKQSFDKMKXFT-UHFFFAOYSA-N 1 0 456.541 4.397 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001300360511 1068386459 /nfs/dbraw/zinc/38/64/59/1068386459.db2.gz DSNUAJHRWITIRS-ZVDOUQERSA-N 1 0 498.672 4.176 20 0 JIADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OC)c(OCC(C)C)c3)CC2)cc1OC ZINC001200399795 1068388874 /nfs/dbraw/zinc/38/88/74/1068388874.db2.gz CZXWAVLPGIGKEF-UHFFFAOYSA-N 1 0 456.583 4.142 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300361210 1068389356 /nfs/dbraw/zinc/38/93/56/1068389356.db2.gz JIXFXPIGSHACCS-FYYLOGMGSA-N 1 0 455.647 4.183 20 0 JIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC001353637265 1068389899 /nfs/dbraw/zinc/38/98/99/1068389899.db2.gz RVUFOILEJXXQAF-WKTRQSJXSA-N 1 0 450.320 4.239 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)c4ccsc4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001300375178 1068443212 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JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001300513479 1068893880 /nfs/dbraw/zinc/89/38/80/1068893880.db2.gz NSOLPMMTSXSZSS-RCZVLFRGSA-N 1 0 499.700 4.342 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001300513374 1068893938 /nfs/dbraw/zinc/89/39/38/1068893938.db2.gz LTWFAJWZCZYXDC-AREMUKBSSA-N 1 0 483.682 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300518901 1068904918 /nfs/dbraw/zinc/90/49/18/1068904918.db2.gz SZSZWELGOCQFEU-ACRUOGEOSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)ccc1F ZINC001200568488 1068910154 /nfs/dbraw/zinc/91/01/54/1068910154.db2.gz AZMPOIXCINVWQE-QFIPXVFZSA-N 1 0 478.973 4.454 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146545 1068930187 /nfs/dbraw/zinc/93/01/87/1068930187.db2.gz BVDQNQIJCSVRLD-GMAHTHKFSA-N 1 0 454.014 4.059 20 0 JIADRO 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Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492569281 1068968389 /nfs/dbraw/zinc/96/83/89/1068968389.db2.gz RMYLACGMZPLMOW-PZJWPPBQSA-N 1 0 478.607 4.448 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001492568743 1068978396 /nfs/dbraw/zinc/97/83/96/1068978396.db2.gz XZYDWMGZLUHYGP-HXUWFJFHSA-N 1 0 464.580 4.058 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492568736 1068978492 /nfs/dbraw/zinc/97/84/92/1068978492.db2.gz XQJVUQZOBAEHLA-HSZRJFAPSA-N 1 0 482.673 4.433 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300546052 1068984042 /nfs/dbraw/zinc/98/40/42/1068984042.db2.gz CCDQRBYVCRNVST-QFIPXVFZSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300548324 1068991573 /nfs/dbraw/zinc/99/15/73/1068991573.db2.gz ZDVPEFNCORGEFW-BGYRXZFFSA-N 1 0 471.646 4.076 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300551752 1069001252 /nfs/dbraw/zinc/00/12/52/1069001252.db2.gz GAIJEQNAMFBUPR-KRWDZBQOSA-N 1 0 474.447 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001300553162 1069005115 /nfs/dbraw/zinc/00/51/15/1069005115.db2.gz QYIFJVOMZSREQJ-UHFFFAOYSA-N 1 0 495.590 4.157 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492570701 1069005641 /nfs/dbraw/zinc/00/56/41/1069005641.db2.gz HBFDCDGQFDYDHR-DHIUTWEWSA-N 1 0 455.647 4.148 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300553584 1069006213 /nfs/dbraw/zinc/00/62/13/1069006213.db2.gz UUSJEEVDUWCNSZ-ZCYQVOJMSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001300555599 1069010049 /nfs/dbraw/zinc/01/00/49/1069010049.db2.gz FHDJYPJNXIPCLW-DEOSSOPVSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)c1ncc(C)s1 ZINC001300557639 1069018211 /nfs/dbraw/zinc/01/82/11/1069018211.db2.gz NNLKSPXTNFELBI-GOSISDBHSA-N 1 0 468.671 4.413 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C(C)C ZINC001492572024 1069024505 /nfs/dbraw/zinc/02/45/05/1069024505.db2.gz QFXWEWYQSSBNOJ-HXUWFJFHSA-N 1 0 456.635 4.087 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001492572359 1069028496 /nfs/dbraw/zinc/02/84/96/1069028496.db2.gz AMVNMUQXTGHZFR-NTOOTBGVSA-N 1 0 466.674 4.229 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300561310 1069032556 /nfs/dbraw/zinc/03/25/56/1069032556.db2.gz FHOXHTJZBNCTRA-FYYLOGMGSA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492588145 1069033484 /nfs/dbraw/zinc/03/34/84/1069033484.db2.gz KOFCMEHMZZWRCY-UFHPHHKVSA-N 1 0 483.701 4.056 20 0 JIADRO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001300562253 1069035887 /nfs/dbraw/zinc/03/58/87/1069035887.db2.gz FFBMBYFYNCBKRB-DNQXCXABSA-N 1 0 469.601 4.453 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001492589140 1069036807 /nfs/dbraw/zinc/03/68/07/1069036807.db2.gz MMQGUFKBZIRRER-NZQKXSOJSA-N 1 0 482.673 4.013 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492589108 1069036831 /nfs/dbraw/zinc/03/68/31/1069036831.db2.gz XYGBOGAMMXJMCW-LOSJGSFVSA-N 1 0 469.674 4.070 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300562643 1069038098 /nfs/dbraw/zinc/03/80/98/1069038098.db2.gz JZZHJWMOJVKWLI-GOSISDBHSA-N 1 0 474.447 4.098 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001492573885 1069041235 /nfs/dbraw/zinc/04/12/35/1069041235.db2.gz FZCKRJMFUKPPEQ-XMMPIXPASA-N 1 0 494.728 4.143 20 0 JIADRO Cc1ccccc1[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492572959 1069048250 /nfs/dbraw/zinc/04/82/50/1069048250.db2.gz LXFOOYUOSZXXHG-GGAORHGYSA-N 1 0 452.647 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849486193 1069051866 /nfs/dbraw/zinc/05/18/66/1069051866.db2.gz JSSAYCFGKSNMIN-SVBPBHIXSA-N 1 0 482.632 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482820 1069051979 /nfs/dbraw/zinc/05/19/79/1069051979.db2.gz TVRLXJFWLWHEOA-LEWJYISDSA-N 1 0 451.640 4.250 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486817 1069052817 /nfs/dbraw/zinc/05/28/17/1069052817.db2.gz BIXSOTCQUQQFEV-PKTZIBPZSA-N 1 0 483.410 4.436 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849488507 1069056344 /nfs/dbraw/zinc/05/63/44/1069056344.db2.gz CLSUMPLPCZDQSA-PMACEKPBSA-N 1 0 452.628 4.083 20 0 JIADRO COc1ccc(CCC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849488681 1069056548 /nfs/dbraw/zinc/05/65/48/1069056548.db2.gz IERMPSVTBMXTFC-IZZNHLLZSA-N 1 0 452.643 4.114 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849489737 1069057330 /nfs/dbraw/zinc/05/73/30/1069057330.db2.gz LCDKZXYCFLTDEU-BJKOFHAPSA-N 1 0 475.641 4.248 20 0 JIADRO Cc1ccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489931 1069057482 /nfs/dbraw/zinc/05/74/82/1069057482.db2.gz IEPFWYXCVBEPFM-DNQXCXABSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849489741 1069057576 /nfs/dbraw/zinc/05/75/76/1069057576.db2.gz LCDKZXYCFLTDEU-DNQXCXABSA-N 1 0 475.641 4.248 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001300566901 1069059697 /nfs/dbraw/zinc/05/96/97/1069059697.db2.gz GDJZYBBJXCSANT-WIOPSUGQSA-N 1 0 469.674 4.249 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@H](c2cnn(C)c2)C1 ZINC000849493961 1069064679 /nfs/dbraw/zinc/06/46/79/1069064679.db2.gz NUYRGUQXARKAHH-MOPGFXCFSA-N 1 0 460.504 4.077 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495396 1069065754 /nfs/dbraw/zinc/06/57/54/1069065754.db2.gz CKKGXWQULIXXTD-JTHBVZDNSA-N 1 0 498.096 4.182 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494612 1069066995 /nfs/dbraw/zinc/06/69/95/1069066995.db2.gz WQXDYJRTUWUDOO-MOPGFXCFSA-N 1 0 486.498 4.104 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001300569090 1069070003 /nfs/dbraw/zinc/07/00/03/1069070003.db2.gz DPDOCSKKQBQKLA-JOCHJYFZSA-N 1 0 455.480 4.264 20 0 JIADRO CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc2s1 ZINC000849500196 1069072123 /nfs/dbraw/zinc/07/21/23/1069072123.db2.gz XGNLXYZETGGVII-PMACEKPBSA-N 1 0 454.596 4.264 20 0 JIADRO Cc1cccc(COc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)c1 ZINC000849501124 1069073050 /nfs/dbraw/zinc/07/30/50/1069073050.db2.gz SSXSSTKFZIGBFA-SXOMAYOGSA-N 1 0 460.622 4.438 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501097 1069073181 /nfs/dbraw/zinc/07/31/81/1069073181.db2.gz SKWVUSXLCFVYKK-KAYWLYCHSA-N 1 0 460.622 4.267 20 0 JIADRO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502183 1069074831 /nfs/dbraw/zinc/07/48/31/1069074831.db2.gz ZCRRYFOJUDGIJH-WIOPSUGQSA-N 1 0 461.610 4.040 20 0 JIADRO CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849502805 1069076828 /nfs/dbraw/zinc/07/68/28/1069076828.db2.gz SSOKKXCPAWQCCY-AJSBUHFISA-N 1 0 456.631 4.299 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504345 1069080480 /nfs/dbraw/zinc/08/04/80/1069080480.db2.gz OKEWZYSBCSRORI-SVBPBHIXSA-N 1 0 476.621 4.468 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504357 1069080617 /nfs/dbraw/zinc/08/06/17/1069080617.db2.gz OQWMOJKRPBEGAB-KSNOWIBYSA-N 1 0 491.636 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504029 1069082509 /nfs/dbraw/zinc/08/25/09/1069082509.db2.gz BBYDIYSFKKDHGE-ISKFKSNPSA-N 1 0 465.642 4.277 20 0 JIADRO CCOc1cc(Br)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OCC ZINC000849504698 1069084632 /nfs/dbraw/zinc/08/46/32/1069084632.db2.gz DMPHOECCUDKIBH-ZWKOTPCHSA-N 1 0 493.446 4.433 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506161 1069085452 /nfs/dbraw/zinc/08/54/52/1069085452.db2.gz VBMGPLRPSHJXQR-RBBKRZOGSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849505737 1069086219 /nfs/dbraw/zinc/08/62/19/1069086219.db2.gz JBCAPDAQNUIDTN-UIOOFZCWSA-N 1 0 465.686 4.317 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507256 1069087996 /nfs/dbraw/zinc/08/79/96/1069087996.db2.gz BTPLTIMNEXVUFZ-RJGXRXQPSA-N 1 0 467.411 4.124 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300573639 1069090435 /nfs/dbraw/zinc/09/04/35/1069090435.db2.gz JOUPYTAZBKIBCK-UGKGYDQZSA-N 1 0 495.590 4.013 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510153 1069091885 /nfs/dbraw/zinc/09/18/85/1069091885.db2.gz OJPAOEQBEPIHLX-KKUQBAQOSA-N 1 0 464.585 4.288 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849511333 1069093941 /nfs/dbraw/zinc/09/39/41/1069093941.db2.gz PHRHJGPZEXKKDH-YADHBBJMSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001300575042 1069095627 /nfs/dbraw/zinc/09/56/27/1069095627.db2.gz AHFXGSOATSJIGV-DHIUTWEWSA-N 1 0 461.622 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849511709 1069096527 /nfs/dbraw/zinc/09/65/27/1069096527.db2.gz SUKCPAIBVIPMFC-DQEYMECFSA-N 1 0 465.642 4.069 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849513301 1069097169 /nfs/dbraw/zinc/09/71/69/1069097169.db2.gz BCUYBCVIQUZPEQ-VXKWHMMOSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849513300 1069097398 /nfs/dbraw/zinc/09/73/98/1069097398.db2.gz BCUYBCVIQUZPEQ-FGZHOGPDSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514914 1069099874 /nfs/dbraw/zinc/09/98/74/1069099874.db2.gz JRVQJOTZBMOKQU-LOSJGSFVSA-N 1 0 496.633 4.069 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849516359 1069100548 /nfs/dbraw/zinc/10/05/48/1069100548.db2.gz KATNRGISYSDGMY-ROUUACIJSA-N 1 0 475.424 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849516416 1069100839 /nfs/dbraw/zinc/10/08/39/1069100839.db2.gz PHVXKLQDUMGWKM-RBUKOAKNSA-N 1 0 451.596 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849516295 1069101568 /nfs/dbraw/zinc/10/15/68/1069101568.db2.gz HMMCAVRMGFXUSW-ZWSUVBHBSA-N 1 0 473.621 4.364 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC3(CCCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300576812 1069102035 /nfs/dbraw/zinc/10/20/35/1069102035.db2.gz LDGWZWUSPVNEED-QHCPKHFHSA-N 1 0 469.674 4.393 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517456 1069103436 /nfs/dbraw/zinc/10/34/36/1069103436.db2.gz NXLFGPXPLUQFNY-ZEQRLZLVSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517990 1069105976 /nfs/dbraw/zinc/10/59/76/1069105976.db2.gz MQZZDHCDHDSXMQ-BJKOFHAPSA-N 1 0 463.651 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300578414 1069106321 /nfs/dbraw/zinc/10/63/21/1069106321.db2.gz GTZDGZOAMCHVJS-YLJYHZDGSA-N 1 0 457.669 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520486 1069113363 /nfs/dbraw/zinc/11/33/63/1069113363.db2.gz NHKUYKBXJGDPRR-GOTSBHOMSA-N 1 0 477.584 4.193 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520617 1069113531 /nfs/dbraw/zinc/11/35/31/1069113531.db2.gz XRLJWKHLXZVURF-PMACEKPBSA-N 1 0 470.371 4.044 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849522902 1069115814 /nfs/dbraw/zinc/11/58/14/1069115814.db2.gz QAOHSWPPEINELS-LEWJYISDSA-N 1 0 465.623 4.115 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522705 1069116294 /nfs/dbraw/zinc/11/62/94/1069116294.db2.gz NKRSJHYAQPQGCY-UNMCSNQZSA-N 1 0 472.033 4.152 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524530 1069119080 /nfs/dbraw/zinc/11/90/80/1069119080.db2.gz ISPITRXDIHPYMV-ISKFKSNPSA-N 1 0 477.653 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849526288 1069121258 /nfs/dbraw/zinc/12/12/58/1069121258.db2.gz RJSDIFTWQGSEGC-RPWUZVMVSA-N 1 0 495.668 4.238 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300583048 1069125644 /nfs/dbraw/zinc/12/56/44/1069125644.db2.gz NUHRQMGFXAMKID-UHFFFAOYSA-N 1 0 469.674 4.199 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849526549 1069125928 /nfs/dbraw/zinc/12/59/28/1069125928.db2.gz GNPDUWUZGLZCDZ-BJKOFHAPSA-N 1 0 481.641 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526675 1069126066 /nfs/dbraw/zinc/12/60/66/1069126066.db2.gz SQXBXODIPCZBFP-HBGVWJBISA-N 1 0 479.488 4.294 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849527948 1069127458 /nfs/dbraw/zinc/12/74/58/1069127458.db2.gz XWTSWYPYSMSDOP-PKTZIBPZSA-N 1 0 480.634 4.300 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000849527988 1069128378 /nfs/dbraw/zinc/12/83/78/1069128378.db2.gz YFWDARLABRMMBH-KKUQBAQOSA-N 1 0 471.605 4.071 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1 ZINC000849531152 1069136216 /nfs/dbraw/zinc/13/62/16/1069136216.db2.gz BGLOGJVTGBFXCF-VWLOTQADSA-N 1 0 468.642 4.254 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300591238 1069154875 /nfs/dbraw/zinc/15/48/75/1069154875.db2.gz JYZFGEOMDRNPMC-AJTFRIOCSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccccc1CN(C)c1nnc(CC(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300593903 1069165417 /nfs/dbraw/zinc/16/54/17/1069165417.db2.gz AFCYAIZTGYNSQZ-UHFFFAOYSA-N 1 0 455.647 4.157 20 0 JIADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849546961 1069184027 /nfs/dbraw/zinc/18/40/27/1069184027.db2.gz CHXWVVOGUMEBMC-ZWKOTPCHSA-N 1 0 461.397 4.203 20 0 JIADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1C ZINC000849546955 1069184846 /nfs/dbraw/zinc/18/48/46/1069184846.db2.gz CHXWVVOGUMEBMC-MSOLQXFVSA-N 1 0 461.397 4.203 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546881 1069185182 /nfs/dbraw/zinc/18/51/82/1069185182.db2.gz DEESGZAAZABJJB-ZWKOTPCHSA-N 1 0 477.462 4.439 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849550352 1069189500 /nfs/dbraw/zinc/18/95/00/1069189500.db2.gz ZFTIGGCBOXQRJP-BJKOFHAPSA-N 1 0 456.656 4.285 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849549694 1069190469 /nfs/dbraw/zinc/19/04/69/1069190469.db2.gz VTIZEDFLHWRBLU-DLBZAZTESA-N 1 0 458.912 4.467 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552154 1069193401 /nfs/dbraw/zinc/19/34/01/1069193401.db2.gz HFEXGUSVKNYOKE-LEWJYISDSA-N 1 0 459.432 4.194 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849553344 1069194814 /nfs/dbraw/zinc/19/48/14/1069194814.db2.gz IYBNWGJHYWNTDS-VQTJNVASSA-N 1 0 460.557 4.351 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551690 1069194837 /nfs/dbraw/zinc/19/48/37/1069194837.db2.gz BLMRIVCPHQNOIS-KPDCDPCYSA-N 1 0 458.940 4.293 20 0 JIADRO COc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300605752 1069200076 /nfs/dbraw/zinc/20/00/76/1069200076.db2.gz NQBVECKGHIXALV-UHFFFAOYSA-N 1 0 476.444 4.356 20 0 JIADRO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849556108 1069202012 /nfs/dbraw/zinc/20/20/12/1069202012.db2.gz VMBZHNCQPZTUCP-SFTDATJTSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849555803 1069202363 /nfs/dbraw/zinc/20/23/63/1069202363.db2.gz TYCXSNIOGFHZFW-FGZHOGPDSA-N 1 0 462.560 4.491 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849557179 1069203271 /nfs/dbraw/zinc/20/32/71/1069203271.db2.gz GBHGIIFWKDPFKR-SJORKVTESA-N 1 0 473.832 4.389 20 0 JIADRO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Oc1cccc(C(F)(F)F)c1 ZINC000849560176 1069207570 /nfs/dbraw/zinc/20/75/70/1069207570.db2.gz YBEAEJQUNTXLDF-BAGYTPMASA-N 1 0 466.548 4.227 20 0 JIADRO Cc1sc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562055 1069211350 /nfs/dbraw/zinc/21/13/50/1069211350.db2.gz JCUVFWZOKBNRLE-MSOLQXFVSA-N 1 0 474.428 4.289 20 0 JIADRO CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849562852 1069212927 /nfs/dbraw/zinc/21/29/27/1069212927.db2.gz HLCWGLZOOGGBJM-OALUTQOASA-N 1 0 463.420 4.422 20 0 JIADRO CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849562850 1069212998 /nfs/dbraw/zinc/21/29/98/1069212998.db2.gz HLCWGLZOOGGBJM-MOPGFXCFSA-N 1 0 463.420 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213076 /nfs/dbraw/zinc/21/30/76/1069213076.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 0 469.593 4.325 20 0 JIADRO COc1ccccc1CSc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849565958 1069217180 /nfs/dbraw/zinc/21/71/80/1069217180.db2.gz XQFULCKSKZXYRU-RTWAWAEBSA-N 1 0 450.608 4.395 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567544 1069219696 /nfs/dbraw/zinc/21/96/96/1069219696.db2.gz HKEMAAXSOQZZOA-RELGLDOUSA-N 1 0 476.621 4.157 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849568881 1069220141 /nfs/dbraw/zinc/22/01/41/1069220141.db2.gz QKPCMHGMOSPTQI-JWQCQUIFSA-N 1 0 457.622 4.287 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cn1 ZINC000849571390 1069221749 /nfs/dbraw/zinc/22/17/49/1069221749.db2.gz IKTXUVLVPUHLDS-ABSDTBQOSA-N 1 0 454.924 4.395 20 0 JIADRO CCOC(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571301 1069222139 /nfs/dbraw/zinc/22/21/39/1069222139.db2.gz FJCFHECQXGSUEZ-JTHBVZDNSA-N 1 0 478.618 4.422 20 0 JIADRO CCOC(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571298 1069222223 /nfs/dbraw/zinc/22/22/23/1069222223.db2.gz FJCFHECQXGSUEZ-FYYLOGMGSA-N 1 0 478.618 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572329 1069222732 /nfs/dbraw/zinc/22/27/32/1069222732.db2.gz OCSGDZKLMYCVCK-HZPDHXFCSA-N 1 0 484.473 4.403 20 0 JIADRO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2(CCCCC2)C1 ZINC001354440685 1069223246 /nfs/dbraw/zinc/22/32/46/1069223246.db2.gz JGKPBCXZWNTAJJ-SFHVURJKSA-N 1 0 452.426 4.323 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571550 1069223431 /nfs/dbraw/zinc/22/34/31/1069223431.db2.gz JGPJPQFAKDSGOA-ZEQRLZLVSA-N 1 0 481.438 4.447 20 0 JIADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849572042 1069223575 /nfs/dbraw/zinc/22/35/75/1069223575.db2.gz MTKJTAHKJSXJGB-ZWKOTPCHSA-N 1 0 473.419 4.005 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001300614426 1069224846 /nfs/dbraw/zinc/22/48/46/1069224846.db2.gz ASSFWFFXDGSIQW-UHFFFAOYSA-N 1 0 470.706 4.316 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000849575310 1069226399 /nfs/dbraw/zinc/22/63/99/1069226399.db2.gz JVWGCOASWIYCEX-WXFUMESZSA-N 1 0 486.538 4.389 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849576123 1069229068 /nfs/dbraw/zinc/22/90/68/1069229068.db2.gz GVBOFPMNEKKXFY-LSDHHAIUSA-N 1 0 462.982 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849578749 1069230585 /nfs/dbraw/zinc/23/05/85/1069230585.db2.gz XNFZGRRLILUWTF-VDZJLULYSA-N 1 0 474.474 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849581152 1069232663 /nfs/dbraw/zinc/23/26/63/1069232663.db2.gz FLQPKBGHQQLOHE-RTWAWAEBSA-N 1 0 450.549 4.347 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300618380 1069235354 /nfs/dbraw/zinc/23/53/54/1069235354.db2.gz DBDQEMRHVOTRKG-IBGZPJMESA-N 1 0 485.032 4.390 20 0 JIADRO Cc1cccnc1C(F)(F)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001354463618 1069238231 /nfs/dbraw/zinc/23/82/31/1069238231.db2.gz VOSLFCYEBCOPAB-UHFFFAOYSA-N 1 0 450.533 4.438 20 0 JIADRO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849588056 1069239740 /nfs/dbraw/zinc/23/97/40/1069239740.db2.gz OXKPIOUFPZAGGW-RRPNLBNLSA-N 1 0 492.620 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849588569 1069241239 /nfs/dbraw/zinc/24/12/39/1069241239.db2.gz ROTINXWKLPHDHB-ZWKOTPCHSA-N 1 0 456.484 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849589405 1069241359 /nfs/dbraw/zinc/24/13/59/1069241359.db2.gz RCTXWZBCIGUABP-RJGXRXQPSA-N 1 0 488.474 4.100 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591654 1069244650 /nfs/dbraw/zinc/24/46/50/1069244650.db2.gz KDCFIQSCCOEXHN-ZSXPUABSSA-N 1 0 457.416 4.291 20 0 JIADRO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849593505 1069244884 /nfs/dbraw/zinc/24/48/84/1069244884.db2.gz UJPZTPJDRHZAER-SVBPBHIXSA-N 1 0 492.620 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849594423 1069245362 /nfs/dbraw/zinc/24/53/62/1069245362.db2.gz TUXYVJCKRKEAJB-QMMLZNLJSA-N 1 0 450.549 4.342 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@H](c2cnn(C)c2)C1 ZINC000849594347 1069245700 /nfs/dbraw/zinc/24/57/00/1069245700.db2.gz WXXULTGLTZXFNH-MOPGFXCFSA-N 1 0 456.388 4.183 20 0 JIADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849595117 1069247701 /nfs/dbraw/zinc/24/77/01/1069247701.db2.gz ZEEIQCOCWFBODJ-ROUUACIJSA-N 1 0 462.438 4.152 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001200678356 1069256560 /nfs/dbraw/zinc/25/65/60/1069256560.db2.gz LBQIABFTLYFZQT-QFIPXVFZSA-N 1 0 450.649 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849603793 1069261444 /nfs/dbraw/zinc/26/14/44/1069261444.db2.gz GXDUPQSOGNBZFC-GOTSBHOMSA-N 1 0 456.594 4.340 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849605648 1069263385 /nfs/dbraw/zinc/26/33/85/1069263385.db2.gz JMFHADRROXAEOI-BJKOFHAPSA-N 1 0 458.597 4.384 20 0 JIADRO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849608981 1069266919 /nfs/dbraw/zinc/26/69/19/1069266919.db2.gz RIPBTJXYRGTZBS-CBQOVEMMSA-N 1 0 459.034 4.432 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2nccs2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300629773 1069273147 /nfs/dbraw/zinc/27/31/47/1069273147.db2.gz DAIRNTAFBUNRTK-LJQANCHMSA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300631812 1069281314 /nfs/dbraw/zinc/28/13/14/1069281314.db2.gz SKNKLZMMMMPGGW-RTBURBONSA-N 1 0 477.600 4.468 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CC2CCCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001492577593 1069282786 /nfs/dbraw/zinc/28/27/86/1069282786.db2.gz UDXVUDQMGYFOEN-UHFFFAOYSA-N 1 0 453.675 4.429 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492577806 1069286757 /nfs/dbraw/zinc/28/67/57/1069286757.db2.gz XHJGHMOANWMZJQ-JOCHJYFZSA-N 1 0 467.683 4.419 20 0 JIADRO COC(=O)Nc1ccc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC001200692057 1069301539 /nfs/dbraw/zinc/30/15/39/1069301539.db2.gz OCFVTYBMHZNSKN-UHFFFAOYSA-N 1 0 457.166 4.304 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492591368 1069302807 /nfs/dbraw/zinc/30/28/07/1069302807.db2.gz BCALFVANRTWCMG-JOCHJYFZSA-N 1 0 469.033 4.175 20 0 JIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)c1 ZINC001164406524 718864352 /nfs/dbraw/zinc/86/43/52/718864352.db2.gz HFKDDSVDMJRHNM-IEBWSBKVSA-N 1 0 469.680 4.220 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)CC1 ZINC001164617005 719030077 /nfs/dbraw/zinc/03/00/77/719030077.db2.gz ICTCIRBOKBJBGY-UHFFFAOYSA-N 1 0 479.621 4.428 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)CC1 ZINC001164617492 719033802 /nfs/dbraw/zinc/03/38/02/719033802.db2.gz LBATVPLWKDOMHT-UHFFFAOYSA-N 1 0 477.653 4.378 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC2)CC1 ZINC001164616503 719034813 /nfs/dbraw/zinc/03/48/13/719034813.db2.gz DUDOGIDHWMPTKM-UHFFFAOYSA-N 1 0 452.329 4.057 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CCN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650534 719296499 /nfs/dbraw/zinc/29/64/99/719296499.db2.gz IPHPOYHGCOJBTE-CUBQBAPOSA-N 1 0 473.596 4.223 20 0 JIADRO CC(C)N(c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164662041 719344772 /nfs/dbraw/zinc/34/47/72/719344772.db2.gz MSXSIDNOWAGSHL-UHFFFAOYSA-N 1 0 477.682 4.191 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682263 719626122 /nfs/dbraw/zinc/62/61/22/719626122.db2.gz MDMVECXIZHEDGZ-UHFFFAOYSA-N 1 0 455.340 4.217 20 0 JIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164680767 719663943 /nfs/dbraw/zinc/66/39/43/719663943.db2.gz IRUIYYLVBVTMRU-GOSISDBHSA-N 1 0 481.044 4.013 20 0 JIADRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc12 ZINC001164680354 719665652 /nfs/dbraw/zinc/66/56/52/719665652.db2.gz DAFLCSUOZPGLOS-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(OCc4ccccc4)n3)CC2)c2ccccc21 ZINC001164681177 719668414 /nfs/dbraw/zinc/66/84/14/719668414.db2.gz KJXDAUHZNNODBZ-DEOSSOPVSA-N 1 0 499.659 4.149 20 0 JIADRO Cc1ccc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncc2c1 ZINC001164681925 719670021 /nfs/dbraw/zinc/67/00/21/719670021.db2.gz OKYBCYJRHBSCMG-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO Cc1cccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164686264 719670043 /nfs/dbraw/zinc/67/00/43/719670043.db2.gz WWSASLOTQWWTHF-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO Cc1nc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680841 719671326 /nfs/dbraw/zinc/67/13/26/719671326.db2.gz HYOOQMRLZGMDPS-HXUWFJFHSA-N 1 0 455.046 4.445 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164686855 719671362 /nfs/dbraw/zinc/67/13/62/719671362.db2.gz YCAWIXNSKLFYLR-QGZVFWFLSA-N 1 0 499.084 4.142 20 0 JIADRO Cc1ccc(-c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)o1 ZINC001164681858 719679402 /nfs/dbraw/zinc/67/94/02/719679402.db2.gz NTHNLYBBSMUGQR-NRFANRHFSA-N 1 0 473.621 4.138 20 0 JIADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccco2)n1 ZINC001164684273 719679580 /nfs/dbraw/zinc/67/95/80/719679580.db2.gz SWCIDUUXTQSHAM-NRFANRHFSA-N 1 0 473.621 4.138 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680737 719680285 /nfs/dbraw/zinc/68/02/85/719680285.db2.gz HHAYIGLTTGWQTI-DEOSSOPVSA-N 1 0 498.675 4.249 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4c(nc3Cl)CCCC4)CC2)c2ccccc21 ZINC001164686464 719683053 /nfs/dbraw/zinc/68/30/53/719683053.db2.gz NAVKGXKKQIJLPE-LJQANCHMSA-N 1 0 482.072 4.102 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2CN(Cc2ccccc2)CC4)CC3)cs1 ZINC001164691474 719805276 /nfs/dbraw/zinc/80/52/76/719805276.db2.gz HXPWESPIVBAMEJ-UHFFFAOYSA-N 1 0 474.678 4.435 20 0 JIADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164699306 719896900 /nfs/dbraw/zinc/89/69/00/719896900.db2.gz ZOJZWJQMKGHLMK-UHFFFAOYSA-N 1 0 485.984 4.390 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)C2 ZINC001164808561 720086317 /nfs/dbraw/zinc/08/63/17/720086317.db2.gz IDRGYAZUNLDTSV-RNWIMVQKSA-N 1 0 488.632 4.402 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711122 720096435 /nfs/dbraw/zinc/09/64/35/720096435.db2.gz OPUFSRFQXFZFCC-FQEVSTJZSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001164812082 720109622 /nfs/dbraw/zinc/10/96/22/720109622.db2.gz OLXOXWSPHHNHQE-RBJSKKJNSA-N 1 0 455.606 4.390 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719548 720123867 /nfs/dbraw/zinc/12/38/67/720123867.db2.gz YUKUYEUGURHUDW-JOCHJYFZSA-N 1 0 486.060 4.120 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164715486 720123883 /nfs/dbraw/zinc/12/38/83/720123883.db2.gz GCDLFJPXPIUKFR-OAQYLSRUSA-N 1 0 486.060 4.166 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164714929 720126558 /nfs/dbraw/zinc/12/65/58/720126558.db2.gz FOPHEESJAAQESV-FQEVSTJZSA-N 1 0 498.990 4.359 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164712543 720141454 /nfs/dbraw/zinc/14/14/54/720141454.db2.gz NJCIBODAPSOONX-FQEVSTJZSA-N 1 0 463.651 4.391 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164714372 720145860 /nfs/dbraw/zinc/14/58/60/720145860.db2.gz WPPMQTWCUGOIMT-QHCPKHFHSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164713577 720155290 /nfs/dbraw/zinc/15/52/90/720155290.db2.gz SGCZBFNSAXTYCM-NRFANRHFSA-N 1 0 465.001 4.095 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816356 720173134 /nfs/dbraw/zinc/17/31/34/720173134.db2.gz LAROUKDEAJSMPG-IERDGZPVSA-N 1 0 452.933 4.120 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812451 720175647 /nfs/dbraw/zinc/17/56/47/720175647.db2.gz ASLQXHRHPRVPHF-OPAMFIHVSA-N 1 0 466.960 4.021 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819790 720191840 /nfs/dbraw/zinc/19/18/40/720191840.db2.gz YEPQEHZZYBWGNL-KSSFIOAISA-N 1 0 453.883 4.483 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cc3ccccc3)c3ccccc31)CCC2 ZINC001164813854 720233703 /nfs/dbraw/zinc/23/37/03/720233703.db2.gz QICDBNSZJNZGSB-UHFFFAOYSA-N 1 0 468.605 4.028 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CCC2 ZINC001164817684 720245188 /nfs/dbraw/zinc/24/51/88/720245188.db2.gz SZESSFZQLMNASY-UHFFFAOYSA-N 1 0 489.407 4.383 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001164820576 720311994 /nfs/dbraw/zinc/31/19/94/720311994.db2.gz HPJDXYGVWNQPFH-JWQCQUIFSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164828948 720325323 /nfs/dbraw/zinc/32/53/23/720325323.db2.gz KRKLAHWKCMFGEO-VQTJNVASSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164827451 720340702 /nfs/dbraw/zinc/34/07/02/720340702.db2.gz LNLFYQISCUUQOF-RBUKOAKNSA-N 1 0 496.027 4.315 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164830744 720340949 /nfs/dbraw/zinc/34/09/49/720340949.db2.gz WUJMIBBEMOKHKQ-FGZHOGPDSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001164823525 720351903 /nfs/dbraw/zinc/35/19/03/720351903.db2.gz GSJOOEMHTCWHNK-SXOMAYOGSA-N 1 0 485.632 4.120 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834861 720521454 /nfs/dbraw/zinc/52/14/54/720521454.db2.gz HRNSEMHLHDQNSQ-YQQAZPJKSA-N 1 0 466.989 4.464 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834859 720521486 /nfs/dbraw/zinc/52/14/86/720521486.db2.gz HRNSEMHLHDQNSQ-HLLBOEOZSA-N 1 0 466.989 4.464 20 0 JIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001164731958 720521542 /nfs/dbraw/zinc/52/15/42/720521542.db2.gz BMBPMCXCDZWPQP-MRXNPFEDSA-N 1 0 489.954 4.128 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)C1 ZINC001164734865 720528453 /nfs/dbraw/zinc/52/84/53/720528453.db2.gz SLLAPVLBKIWFSN-GOSISDBHSA-N 1 0 461.944 4.253 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838017 720552872 /nfs/dbraw/zinc/55/28/72/720552872.db2.gz NIRHQFJNLTZQKP-RSEQLOHWSA-N 1 0 473.600 4.193 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835017 720556531 /nfs/dbraw/zinc/55/65/31/720556531.db2.gz GSGWPNUDICWYEK-UMXIMWEHSA-N 1 0 473.600 4.193 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001164842949 720562423 /nfs/dbraw/zinc/56/24/23/720562423.db2.gz ZBUWLQWOXVBLPZ-HBFSDRIKSA-N 1 0 460.022 4.265 20 0 JIADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727210 720568057 /nfs/dbraw/zinc/56/80/57/720568057.db2.gz CBPMHKLPFMIDSZ-UHFFFAOYSA-N 1 0 467.351 4.337 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840840 720590426 /nfs/dbraw/zinc/59/04/26/720590426.db2.gz QYJTUOCOEQBAKY-DSNGMDLFSA-N 1 0 468.605 4.299 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164842717 720601180 /nfs/dbraw/zinc/60/11/80/720601180.db2.gz VFYNZXLDRZPIHN-VAMGGRTRSA-N 1 0 482.654 4.059 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835662 720622742 /nfs/dbraw/zinc/62/27/42/720622742.db2.gz CHAPKMDFJQDWPV-KAQDMCDHSA-N 1 0 485.007 4.499 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC[C@@H]21 ZINC001164840780 720626316 /nfs/dbraw/zinc/62/63/16/720626316.db2.gz QSCMONRRJKLBMR-ACRUOGEOSA-N 1 0 475.622 4.434 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC[C@@H]21 ZINC001164843599 720635557 /nfs/dbraw/zinc/63/55/57/720635557.db2.gz YKKWCGBFYUSHJO-ZJOUEHCJSA-N 1 0 460.022 4.265 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840146 720639256 /nfs/dbraw/zinc/63/92/56/720639256.db2.gz PDOJPPKSGXHBIX-ACIOBRDBSA-N 1 0 467.017 4.283 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843763 720657846 /nfs/dbraw/zinc/65/78/46/720657846.db2.gz XVKJEVVRSSSHCZ-FQEVSTJZSA-N 1 0 480.634 4.436 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837591 720662760 /nfs/dbraw/zinc/66/27/60/720662760.db2.gz DGBFBCMIEDZNDU-HXUWFJFHSA-N 1 0 458.002 4.480 20 0 JIADRO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841938 720690151 /nfs/dbraw/zinc/69/01/51/720690151.db2.gz KJPGRBBPTGCJGR-QFIPXVFZSA-N 1 0 460.578 4.066 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1)OCC ZINC001164844818 720690864 /nfs/dbraw/zinc/69/08/64/720690864.db2.gz UZMXSCLYBPHGAX-NRFANRHFSA-N 1 0 489.060 4.332 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845372 720692108 /nfs/dbraw/zinc/69/21/08/720692108.db2.gz YXSXNFAIQZDDAZ-FQEVSTJZSA-N 1 0 480.996 4.330 20 0 JIADRO COC(=O)c1cc2c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(Cl)cc-2n1 ZINC001164837682 720703914 /nfs/dbraw/zinc/70/39/14/720703914.db2.gz GMFJPBAKQZDEKN-SFHVURJKSA-N 1 0 468.985 4.263 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837675 720712308 /nfs/dbraw/zinc/71/23/08/720712308.db2.gz GFVFLCPARXEVHG-GOSISDBHSA-N 1 0 479.955 4.326 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164839016 720719785 /nfs/dbraw/zinc/71/97/85/720719785.db2.gz KHFLAWDQKPCPSL-HSZRJFAPSA-N 1 0 455.606 4.287 20 0 JIADRO c1c(-c2ccccc2)c2c(ncnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164740401 720763313 /nfs/dbraw/zinc/76/33/13/720763313.db2.gz KTCTXLZEARTNQO-ZEQRLZLVSA-N 1 0 489.583 4.219 20 0 JIADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164738278 720764810 /nfs/dbraw/zinc/76/48/10/720764810.db2.gz FIFWHKANGNRCFG-JKSUJKDBSA-N 1 0 476.631 4.040 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@@H]54)ccc3C2)cc1 ZINC001164849430 720772316 /nfs/dbraw/zinc/77/23/16/720772316.db2.gz SHWLQJPUIZNKSU-MYKRZTLLSA-N 1 0 470.617 4.378 20 0 JIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739390 720838261 /nfs/dbraw/zinc/83/82/61/720838261.db2.gz ADGXCOBXJJXKOI-NNMXDRDESA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746616 720848350 /nfs/dbraw/zinc/84/83/50/720848350.db2.gz POZMXKDVUSHHJY-TXTKFYIRSA-N 1 0 499.997 4.313 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748120 720853374 /nfs/dbraw/zinc/85/33/74/720853374.db2.gz KHOJXJCFKFNCLA-BBTUJRGHSA-N 1 0 496.084 4.318 20 0 JIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751210 720857746 /nfs/dbraw/zinc/85/77/46/720857746.db2.gz QRTLTDZGFLGKHF-DJPFJPOOSA-N 1 0 472.971 4.446 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164861560 720861855 /nfs/dbraw/zinc/86/18/55/720861855.db2.gz XXSOLPXLHPKDSK-WZONZLPQSA-N 1 0 470.976 4.263 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164853032 720862455 /nfs/dbraw/zinc/86/24/55/720862455.db2.gz GFBACQKKIBHNON-WMZHIEFXSA-N 1 0 452.986 4.124 20 0 JIADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755912 720869754 /nfs/dbraw/zinc/86/97/54/720869754.db2.gz ZYFYBWQKNPVTFP-LVXARBLLSA-N 1 0 485.028 4.062 20 0 JIADRO COCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccccc2)n1 ZINC001164748506 720873408 /nfs/dbraw/zinc/87/34/08/720873408.db2.gz FPZLSPRUTAGBAF-FREGXXQWSA-N 1 0 499.659 4.440 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164862925 720874204 /nfs/dbraw/zinc/87/42/04/720874204.db2.gz SATLLVCVDMCMSH-XXBNENTESA-N 1 0 452.986 4.124 20 0 JIADRO Cc1sc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164748557 720875466 /nfs/dbraw/zinc/87/54/66/720875466.db2.gz FWRWMZCZNZIHKV-NVQXNPDNSA-N 1 0 463.651 4.458 20 0 JIADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CSCC2 ZINC001164748024 720876245 /nfs/dbraw/zinc/87/62/45/720876245.db2.gz DIPMRBPJHPGTJO-NBGIEHNGSA-N 1 0 486.085 4.069 20 0 JIADRO CSc1ncc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755493 720877179 /nfs/dbraw/zinc/87/71/79/720877179.db2.gz XXKIPMWLOSJKQT-WMZHIEFXSA-N 1 0 460.047 4.002 20 0 JIADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753490 720877793 /nfs/dbraw/zinc/87/77/93/720877793.db2.gz POTWVVOHLNOEHB-OFNKIYASSA-N 1 0 477.987 4.133 20 0 JIADRO Clc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753419 720878371 /nfs/dbraw/zinc/87/83/71/720878371.db2.gz PJRJDLSWVXRTAX-NBGIEHNGSA-N 1 0 452.002 4.366 20 0 JIADRO COc1ccc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752969 720879173 /nfs/dbraw/zinc/87/91/73/720879173.db2.gz OADBZNDJSBWVFB-RBJSKKJNSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1cccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164752953 720879254 /nfs/dbraw/zinc/87/92/54/720879254.db2.gz NPVGZNMACHNFOY-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753820 720881458 /nfs/dbraw/zinc/88/14/58/720881458.db2.gz QBDZVVLJMUWEDD-QDSKXPNFSA-N 1 0 460.981 4.013 20 0 JIADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752958 720881562 /nfs/dbraw/zinc/88/15/62/720881562.db2.gz NRFHZRJEITWFMH-FQRUVTKNSA-N 1 0 484.044 4.045 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164753217 720882590 /nfs/dbraw/zinc/88/25/90/720882590.db2.gz GDEQKFUBUPHRJN-RBJSKKJNSA-N 1 0 458.606 4.394 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755053 720882918 /nfs/dbraw/zinc/88/29/18/720882918.db2.gz KLDMUOHGAGNSTL-CUNXSJBXSA-N 1 0 499.055 4.370 20 0 JIADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164757202 720882993 /nfs/dbraw/zinc/88/29/93/720882993.db2.gz UHSSROZWASTDOP-REWPJTCUSA-N 1 0 477.987 4.133 20 0 JIADRO Clc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755076 720883245 /nfs/dbraw/zinc/88/32/45/720883245.db2.gz KOOXACNFTHYXMN-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc12 ZINC001164752603 720883334 /nfs/dbraw/zinc/88/33/34/720883334.db2.gz FLFJFEWHZJXHOU-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO COc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164757139 720884664 /nfs/dbraw/zinc/88/46/64/720884664.db2.gz SWUUAKTYQJTABU-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756273 720891133 /nfs/dbraw/zinc/89/11/33/720891133.db2.gz OZWJJKOXNQDKSM-KDYSTLNUSA-N 1 0 494.039 4.442 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@@H]2C1 ZINC001164860201 720892424 /nfs/dbraw/zinc/89/24/24/720892424.db2.gz UGNNCTGYXFIUOH-DENIHFKCSA-N 1 0 465.972 4.429 20 0 JIADRO Clc1ccc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2n1 ZINC001164754357 720893009 /nfs/dbraw/zinc/89/30/09/720893009.db2.gz INZNOPVMXZHNOI-GJZUVCINSA-N 1 0 464.013 4.433 20 0 JIADRO COc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164758157 720894470 /nfs/dbraw/zinc/89/44/70/720894470.db2.gz XFOJOJHSTTUIFQ-RDPSFJRHSA-N 1 0 492.998 4.439 20 0 JIADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752529 720895021 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O=C1N(c2cccnc2)CC[C@@]12CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H]2c1ccccc1 ZINC001164913130 721742151 /nfs/dbraw/zinc/74/21/51/721742151.db2.gz UCPJORIVJXHDCM-NAKRPHOHSA-N 1 0 453.590 4.100 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1 ZINC001165016912 721782799 /nfs/dbraw/zinc/78/27/99/721782799.db2.gz FLGLKTZYSRSELL-GWZVJQKXSA-N 1 0 453.631 4.058 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]21 ZINC001165028079 721802669 /nfs/dbraw/zinc/80/26/69/721802669.db2.gz YENLJRSPYMVCBE-HDYLNDSGSA-N 1 0 455.606 4.144 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]21 ZINC001165026892 721805144 /nfs/dbraw/zinc/80/51/44/721805144.db2.gz SCJXRCDHBQKTPT-AJSBUHFISA-N 1 0 468.045 4.493 20 0 JIADRO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164918614 721809369 /nfs/dbraw/zinc/80/93/69/721809369.db2.gz RWFOHIGYDWUEOW-LSCGWGKXSA-N 1 0 476.646 4.297 20 0 JIADRO COC(=O)c1cc2c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001165027441 721818834 /nfs/dbraw/zinc/81/88/34/721818834.db2.gz USLIFCIXYUOPNL-RRMPHLOHSA-N 1 0 453.974 4.135 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019915 721819278 /nfs/dbraw/zinc/81/92/78/721819278.db2.gz CBZFTBAXXRQUDC-CVJWPJSTSA-N 1 0 472.637 4.148 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019913 721819526 /nfs/dbraw/zinc/81/95/26/721819526.db2.gz CBZFTBAXXRQUDC-BBVWWWHTSA-N 1 0 472.637 4.148 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@@H]21 ZINC001165023204 721826304 /nfs/dbraw/zinc/82/63/04/721826304.db2.gz IGYHKQFAZONWDT-OQYZPLRDSA-N 1 0 469.939 4.067 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)C[C@H]21 ZINC001165027033 721826857 /nfs/dbraw/zinc/82/68/57/721826857.db2.gz RCULETZDJKTXSF-QQKQFIJSSA-N 1 0 471.605 4.437 20 0 JIADRO CCOC(=O)c1sc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1C ZINC001165018355 721837689 /nfs/dbraw/zinc/83/76/89/721837689.db2.gz XVEPNGJPRCQKLC-UHFFFAOYSA-N 1 0 484.622 4.294 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023448 721838121 /nfs/dbraw/zinc/83/81/21/721838121.db2.gz XWLPFICHOLHVMR-UHFFFAOYSA-N 1 0 461.990 4.338 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001165019257 721838553 /nfs/dbraw/zinc/83/85/53/721838553.db2.gz BQMPUDOFFOADJL-UHFFFAOYSA-N 1 0 474.605 4.130 20 0 JIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920784 721874418 /nfs/dbraw/zinc/87/44/18/721874418.db2.gz ANAWZTRZXWACSS-FCHUYYIVSA-N 1 0 457.018 4.052 20 0 JIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164934011 721883935 /nfs/dbraw/zinc/88/39/35/721883935.db2.gz OXKMQFDIHZFXQP-NHCUHLMSSA-N 1 0 450.961 4.074 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5ccc(N(C)C)cc5)n4)CC3)C2)cc1 ZINC001164939081 721929979 /nfs/dbraw/zinc/92/99/79/721929979.db2.gz IHMARXHGXCXXAP-UHFFFAOYSA-N 1 0 457.622 4.389 20 0 JIADRO CC[NH+](CC)C1CCN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)CC1 ZINC001165052515 722001029 /nfs/dbraw/zinc/00/10/29/722001029.db2.gz SKGNQTLNUTXYSM-UHFFFAOYSA-N 1 0 459.573 4.338 20 0 JIADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)c1 ZINC001164956050 722023097 /nfs/dbraw/zinc/02/30/97/722023097.db2.gz VGVVRFNFFHTZHT-UHFFFAOYSA-N 1 0 457.578 4.192 20 0 JIADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962093 722023861 /nfs/dbraw/zinc/02/38/61/722023861.db2.gz PMROBJGYBUTUKO-UHFFFAOYSA-N 1 0 465.932 4.259 20 0 JIADRO CCc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@H+](Cc2ccncc2)C4)n1)CCC3 ZINC001164961605 722059470 /nfs/dbraw/zinc/05/94/70/722059470.db2.gz MPXJMZGVSISRKL-UHFFFAOYSA-N 1 0 463.651 4.256 20 0 JIADRO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2C)cc1 ZINC001164966296 722061878 /nfs/dbraw/zinc/06/18/78/722061878.db2.gz PZXJHSYSDNOIPI-UHFFFAOYSA-N 1 0 487.648 4.207 20 0 JIADRO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164966452 722062465 /nfs/dbraw/zinc/06/24/65/722062465.db2.gz UBOYDNYJEZCCHM-UHFFFAOYSA-N 1 0 496.011 4.445 20 0 JIADRO FC(F)(N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)C1(c2ccc(Cl)nc2)CC1 ZINC001164965516 722062556 /nfs/dbraw/zinc/06/25/56/722062556.db2.gz KKCDNWZARNAFCZ-UHFFFAOYSA-N 1 0 462.972 4.369 20 0 JIADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2)cn1 ZINC001164967773 722074418 /nfs/dbraw/zinc/07/44/18/722074418.db2.gz VXFNIIUOCWUOKR-OYRHEFFESA-N 1 0 455.986 4.137 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164970086 722082440 /nfs/dbraw/zinc/08/24/40/722082440.db2.gz UPOMDAOJAVAJIZ-CYXNTTPDSA-N 1 0 480.628 4.412 20 0 JIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164976520 722113650 /nfs/dbraw/zinc/11/36/50/722113650.db2.gz LSGMHYCGLGNIGM-FTJBHMTQSA-N 1 0 478.600 4.328 20 0 JIADRO CSc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164971409 722125047 /nfs/dbraw/zinc/12/50/47/722125047.db2.gz CIKNHCJFFWRJGK-SJORKVTESA-N 1 0 454.974 4.124 20 0 JIADRO CSc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164971406 722125186 /nfs/dbraw/zinc/12/51/86/722125186.db2.gz CIKNHCJFFWRJGK-DLBZAZTESA-N 1 0 454.974 4.124 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982552 722148213 /nfs/dbraw/zinc/14/82/13/722148213.db2.gz RPJGWGJUBQLFKI-YIXXDRMTSA-N 1 0 481.600 4.428 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974791 722156577 /nfs/dbraw/zinc/15/65/77/722156577.db2.gz QLSBSHMLTKCEHT-CVDCTZTESA-N 1 0 481.984 4.053 20 0 JIADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]32)cs1 ZINC001164986262 722179384 /nfs/dbraw/zinc/17/93/84/722179384.db2.gz JNGDPPTZFIIQKW-SVBPBHIXSA-N 1 0 489.689 4.275 20 0 JIADRO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@@H]32)cs1 ZINC001164987595 722185512 /nfs/dbraw/zinc/18/55/12/722185512.db2.gz KJOBDQSPQSIXTJ-ZEQRLZLVSA-N 1 0 463.651 4.470 20 0 JIADRO Cc1cc2nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc(N3CCOCC3)c2s1 ZINC001164994467 722203191 /nfs/dbraw/zinc/20/31/91/722203191.db2.gz HLSRMCTVZNQXDI-RUZDIDTESA-N 1 0 467.614 4.220 20 0 JIADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164994045 722207314 /nfs/dbraw/zinc/20/73/14/722207314.db2.gz DULUCKPTZLCQHJ-AREMUKBSSA-N 1 0 491.592 4.052 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccc(F)cc3)nc3ccccc31)CCC2 ZINC001165004270 722256225 /nfs/dbraw/zinc/25/62/25/722256225.db2.gz PBAZWFGSHKRNLM-UHFFFAOYSA-N 1 0 460.557 4.121 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CCC2 ZINC001165004620 722257248 /nfs/dbraw/zinc/25/72/48/722257248.db2.gz UFFLMOWUUNGWSG-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CCC2 ZINC001165003415 722258137 /nfs/dbraw/zinc/25/81/37/722258137.db2.gz CHNBZMCNYBCZPK-UHFFFAOYSA-N 1 0 494.949 4.166 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300643322 1069312867 /nfs/dbraw/zinc/31/28/67/1069312867.db2.gz YLNMQXRUZJGPGV-BGYRXZFFSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300646800 1069321959 /nfs/dbraw/zinc/32/19/59/1069321959.db2.gz KVGWJIOMOVSIBJ-IDISGSTGSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)c2)cc1 ZINC001200704311 1069331188 /nfs/dbraw/zinc/33/11/88/1069331188.db2.gz TZMCDRCMXCEHSQ-IDISGSTGSA-N 1 0 459.590 4.327 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCO[C@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300651740 1069337333 /nfs/dbraw/zinc/33/73/33/1069337333.db2.gz DFNPTTBSPKHXBQ-XPWALMASSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300660296 1069367811 /nfs/dbraw/zinc/36/78/11/1069367811.db2.gz LMISCAZCQZHUQG-UXHICEINSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300667547 1069391625 /nfs/dbraw/zinc/39/16/25/1069391625.db2.gz DLNBCJJFQOLMDX-KRWDZBQOSA-N 1 0 472.684 4.465 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2c(C)noc2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001300667703 1069392199 /nfs/dbraw/zinc/39/21/99/1069392199.db2.gz HHDUKSCJXUEFLP-QGZVFWFLSA-N 1 0 470.643 4.305 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001354616193 1069406174 /nfs/dbraw/zinc/40/61/74/1069406174.db2.gz WBWRROJLXUFUHP-UHFFFAOYSA-N 1 0 458.534 4.491 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(C)(C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300673023 1069412756 /nfs/dbraw/zinc/41/27/56/1069412756.db2.gz URLOUGXKSGHBCZ-UHFFFAOYSA-N 1 0 487.714 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](C)[NH+](C)C ZINC001300674813 1069416356 /nfs/dbraw/zinc/41/63/56/1069416356.db2.gz ABBBNJORVCOIKS-INIZCTEOSA-N 1 0 473.046 4.140 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359347096 1069418938 /nfs/dbraw/zinc/41/89/38/1069418938.db2.gz DQUYLIXAAFLSTB-PZNLSKEWSA-N 1 0 466.655 4.320 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300675805 1069421015 /nfs/dbraw/zinc/42/10/15/1069421015.db2.gz JXEJYBTXMSHZAZ-QGZVFWFLSA-N 1 0 451.587 4.156 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001359348318 1069424369 /nfs/dbraw/zinc/42/43/69/1069424369.db2.gz DRRYXTIARYCKKL-WALVNQSHSA-N 1 0 474.653 4.160 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCOCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300677894 1069433986 /nfs/dbraw/zinc/43/39/86/1069433986.db2.gz WGVNOYGTELNZHG-HXUWFJFHSA-N 1 0 459.660 4.070 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)c2cccs2)CC1 ZINC001354633130 1069434778 /nfs/dbraw/zinc/43/47/78/1069434778.db2.gz RAJFKCGEMCLDMR-IBGZPJMESA-N 1 0 450.645 4.166 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1nccnc1C ZINC001300678166 1069436127 /nfs/dbraw/zinc/43/61/27/1069436127.db2.gz ZLICYNDTKNLJBH-UHFFFAOYSA-N 1 0 495.697 4.231 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001359353133 1069436567 /nfs/dbraw/zinc/43/65/67/1069436567.db2.gz RMKPNVIQSZEVQL-IBGZPJMESA-N 1 0 452.647 4.122 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](OC)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300678628 1069436610 /nfs/dbraw/zinc/43/66/10/1069436610.db2.gz GLXMUKZIRGEISD-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359354193 1069438372 /nfs/dbraw/zinc/43/83/72/1069438372.db2.gz CNDPLWZCUYIFMI-HSZRJFAPSA-N 1 0 496.700 4.186 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001359354202 1069438523 /nfs/dbraw/zinc/43/85/23/1069438523.db2.gz CSLSFCQLAGCKPM-UHFFFAOYSA-N 1 0 480.701 4.023 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359356226 1069443779 /nfs/dbraw/zinc/44/37/79/1069443779.db2.gz IUIFXWZQORQMKA-XMSQKQJNSA-N 1 0 487.073 4.268 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001359357558 1069447718 /nfs/dbraw/zinc/44/77/18/1069447718.db2.gz JHFRZFFPMMJKNV-QFIPXVFZSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001359361779 1069452622 /nfs/dbraw/zinc/45/26/22/1069452622.db2.gz KOVDJZSKCAGMHT-PQNGQFLHSA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359373660 1069478104 /nfs/dbraw/zinc/47/81/04/1069478104.db2.gz DPBNMFBUFRNMQZ-HSZRJFAPSA-N 1 0 496.700 4.358 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359375280 1069481394 /nfs/dbraw/zinc/48/13/94/1069481394.db2.gz HRNOCPHOLKSMBM-UHFFFAOYSA-N 1 0 487.092 4.415 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359385751 1069492914 /nfs/dbraw/zinc/49/29/14/1069492914.db2.gz JYVNXHNSBCNNQQ-NRFANRHFSA-N 1 0 466.674 4.032 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+](C)C(C)C)CC12CCCCC2 ZINC001359393146 1069498646 /nfs/dbraw/zinc/49/86/46/1069498646.db2.gz MCWWZGQTXWIASQ-UHFFFAOYSA-N 1 0 484.664 4.110 20 0 JIADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001359395916 1069500723 /nfs/dbraw/zinc/50/07/23/1069500723.db2.gz LVVNKFZLNOZUAN-UHFFFAOYSA-N 1 0 496.700 4.222 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001359397509 1069503913 /nfs/dbraw/zinc/50/39/13/1069503913.db2.gz DVBHWIALWOVNLF-QHCPKHFHSA-N 1 0 498.741 4.448 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359398320 1069504365 /nfs/dbraw/zinc/50/43/65/1069504365.db2.gz VGZIEAAJJDHNRK-LJQANCHMSA-N 1 0 491.105 4.157 20 0 JIADRO CC(=O)Nc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001359403896 1069508180 /nfs/dbraw/zinc/50/81/80/1069508180.db2.gz WREFTHZODRWGEF-UHFFFAOYSA-N 1 0 489.668 4.022 20 0 JIADRO CC(=O)Nc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001359405212 1069512434 /nfs/dbraw/zinc/51/24/34/1069512434.db2.gz MDIACTTVVPCQBT-GOSISDBHSA-N 1 0 498.031 4.004 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001359410747 1069524530 /nfs/dbraw/zinc/52/45/30/1069524530.db2.gz MXMIHAHPHKHRTM-XVAXZDLZSA-N 1 0 458.676 4.184 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001359411498 1069527763 /nfs/dbraw/zinc/52/77/63/1069527763.db2.gz NTPZLZIUXYZVRA-UHFFFAOYSA-N 1 0 477.028 4.107 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)CC1 ZINC001359411142 1069525001 /nfs/dbraw/zinc/52/50/01/1069525001.db2.gz BXHZWHIWANOJMD-KHRZNOOSSA-N 1 0 482.673 4.014 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001359414538 1069539149 /nfs/dbraw/zinc/53/91/49/1069539149.db2.gz PNNLZRXPYGVCJN-RDABAPPSSA-N 1 0 484.689 4.123 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359433440 1069560527 /nfs/dbraw/zinc/56/05/27/1069560527.db2.gz INDVZJFTJSGDCQ-JOCHJYFZSA-N 1 0 466.674 4.081 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359437957 1069567157 /nfs/dbraw/zinc/56/71/57/1069567157.db2.gz QBLQXNNWCDGVND-XMMPIXPASA-N 1 0 480.701 4.252 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359438983 1069568495 /nfs/dbraw/zinc/56/84/95/1069568495.db2.gz LFJYUSYZLPKWJK-DNQXCXABSA-N 1 0 498.741 4.352 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359439444 1069569558 /nfs/dbraw/zinc/56/95/58/1069569558.db2.gz WDPZQYXWXKSCLD-UKILVPOCSA-N 1 0 496.700 4.091 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359440617 1069571441 /nfs/dbraw/zinc/57/14/41/1069571441.db2.gz FQGWYAPBVOKWOH-XMMPIXPASA-N 1 0 487.092 4.462 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359441042 1069572818 /nfs/dbraw/zinc/57/28/18/1069572818.db2.gz UXAPNMPZRWPOGX-UHFFFAOYSA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359464885 1069594378 /nfs/dbraw/zinc/59/43/78/1069594378.db2.gz IXCXZGGZIDGXIZ-OAQYLSRUSA-N 1 0 498.672 4.409 20 0 JIADRO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+](C)C1CCCCC1)S(C)(=O)=O ZINC001359481332 1069655611 /nfs/dbraw/zinc/65/56/11/1069655611.db2.gz JJLSPBWZLMMEBZ-VQTJNVASSA-N 1 0 498.697 4.016 20 0 JIADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359484319 1069659896 /nfs/dbraw/zinc/65/98/96/1069659896.db2.gz XDJCCDDMOUEYRG-SFTDATJTSA-N 1 0 487.714 4.228 20 0 JIADRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359490350 1069692506 /nfs/dbraw/zinc/69/25/06/1069692506.db2.gz SGRLTULLXMAIHW-QFIPXVFZSA-N 1 0 472.722 4.406 20 0 JIADRO CC(C)(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359492704 1069715670 /nfs/dbraw/zinc/71/56/70/1069715670.db2.gz VJZHPTLAJSRUIZ-UHFFFAOYSA-N 1 0 473.065 4.216 20 0 JIADRO CC(C)(C)[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001359496786 1069732895 /nfs/dbraw/zinc/73/28/95/1069732895.db2.gz YDJIFEXNIDOZPW-HHHXNRCGSA-N 1 0 451.659 4.357 20 0 JIADRO CC(C)(C)C1=CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001359499738 1069755203 /nfs/dbraw/zinc/75/52/03/1069755203.db2.gz VPBYDXUZINKAJG-UHFFFAOYSA-N 1 0 471.621 4.026 20 0 JIADRO CC(C)(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359503222 1069769532 /nfs/dbraw/zinc/76/95/32/1069769532.db2.gz LJIIMSFTUYPHBC-XMMPIXPASA-N 1 0 479.591 4.164 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359530392 1069821278 /nfs/dbraw/zinc/82/12/78/1069821278.db2.gz AZFGWNMLOKGYGM-UHFFFAOYSA-N 1 0 459.601 4.417 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CCC[NH+]1CCCC1 ZINC001359535065 1069828218 /nfs/dbraw/zinc/82/82/18/1069828218.db2.gz JBMHVAQUBIKSAO-SFHVURJKSA-N 1 0 467.584 4.409 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359534234 1069827254 /nfs/dbraw/zinc/82/72/54/1069827254.db2.gz QQXOWRHQRAUOCL-LADGPHEKSA-N 1 0 499.675 4.342 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(C)(C)c1ccccc1F ZINC001359541405 1069838958 /nfs/dbraw/zinc/83/89/58/1069838958.db2.gz YRQITVBADKHYFF-FQEVSTJZSA-N 1 0 457.638 4.142 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1(C)C ZINC001300794356 1069845368 /nfs/dbraw/zinc/84/53/68/1069845368.db2.gz JSCSUWRVFXUWEA-PXNSSMCTSA-N 1 0 493.494 4.172 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001359547585 1069853534 /nfs/dbraw/zinc/85/35/34/1069853534.db2.gz VQNVLPZGLBWRRW-UHFFFAOYSA-N 1 0 493.603 4.346 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359548970 1069856995 /nfs/dbraw/zinc/85/69/95/1069856995.db2.gz YJUJBUIKRRHCTJ-FQEVSTJZSA-N 1 0 496.597 4.203 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CC1 ZINC001359547934 1069854291 /nfs/dbraw/zinc/85/42/91/1069854291.db2.gz HWJTXAXCQHFATI-UHFFFAOYSA-N 1 0 482.456 4.104 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001359547883 1069854489 /nfs/dbraw/zinc/85/44/89/1069854489.db2.gz FPEMIOSIFVDBSC-XBMUEBEBSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001359548262 1069854810 /nfs/dbraw/zinc/85/48/10/1069854810.db2.gz UDZBXPNGMGGICK-IBGZPJMESA-N 1 0 481.563 4.082 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001359548370 1069855214 /nfs/dbraw/zinc/85/52/14/1069855214.db2.gz XZFHYFYORSTGOE-INIZCTEOSA-N 1 0 471.955 4.472 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCS2)CC1 ZINC001359548504 1069855262 /nfs/dbraw/zinc/85/52/62/1069855262.db2.gz DGSHNQCOBWXXQD-JOCHJYFZSA-N 1 0 457.688 4.496 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 ZINC001359548442 1069855297 /nfs/dbraw/zinc/85/52/97/1069855297.db2.gz AXPFELFSFPIECT-UHFFFAOYSA-N 1 0 494.105 4.076 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001359548676 1069855453 /nfs/dbraw/zinc/85/54/53/1069855453.db2.gz LROUIENQQGWESU-QGZVFWFLSA-N 1 0 480.629 4.016 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359549874 1069857886 /nfs/dbraw/zinc/85/78/86/1069857886.db2.gz FKOPDRHHSBBJND-UHFFFAOYSA-N 1 0 488.558 4.016 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001359550339 1069858903 /nfs/dbraw/zinc/85/89/03/1069858903.db2.gz YYLRMPKSNISEJY-KRWDZBQOSA-N 1 0 451.537 4.352 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001359558049 1069877067 /nfs/dbraw/zinc/87/70/67/1069877067.db2.gz WALNJVQKMYXURE-UXHICEINSA-N 1 0 460.667 4.040 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001359559186 1069880486 /nfs/dbraw/zinc/88/04/86/1069880486.db2.gz ICBVXYRCODKOEB-QFIPXVFZSA-N 1 0 482.673 4.470 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC=CCC2)n1CCCCC[NH+]1CCCCC1 ZINC001359560778 1069884066 /nfs/dbraw/zinc/88/40/66/1069884066.db2.gz HPBLYIVYZQUDJY-QFIPXVFZSA-N 1 0 488.677 4.009 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001359563475 1069890593 /nfs/dbraw/zinc/89/05/93/1069890593.db2.gz PJXUSVPQWOHXGG-JOCHJYFZSA-N 1 0 482.673 4.323 20 0 JIADRO CC(C)(C)OC(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359571355 1069941374 /nfs/dbraw/zinc/94/13/74/1069941374.db2.gz DNODQPWZLQTARN-UHFFFAOYSA-N 1 0 493.656 4.329 20 0 JIADRO CC(C)(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359587644 1070021061 /nfs/dbraw/zinc/02/10/61/1070021061.db2.gz XXXZTZALUOBTHW-OAQYLSRUSA-N 1 0 479.735 4.241 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)c2ccccn2)CC1 ZINC001359593791 1070038285 /nfs/dbraw/zinc/03/82/85/1070038285.db2.gz AIRFMHALLNAMPU-UHFFFAOYSA-N 1 0 486.462 4.329 20 0 JIADRO CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC001359593784 1070038483 /nfs/dbraw/zinc/03/84/83/1070038483.db2.gz AEQFBXIKDBSVGE-GOSISDBHSA-N 1 0 471.955 4.488 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001359596786 1070048898 /nfs/dbraw/zinc/04/88/98/1070048898.db2.gz UMFNMDCEKMUMLX-IBGZPJMESA-N 1 0 487.517 4.179 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001359597739 1070052508 /nfs/dbraw/zinc/05/25/08/1070052508.db2.gz BJSLUABPHTZBQY-UHFFFAOYSA-N 1 0 498.672 4.307 20 0 JIADRO CC(C)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1)[NH+]1CCCCC1 ZINC001359597708 1070052634 /nfs/dbraw/zinc/05/26/34/1070052634.db2.gz AJWBNSSOWVOUFN-UHFFFAOYSA-N 1 0 473.637 4.250 20 0 JIADRO CC(C)(O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359599471 1070057459 /nfs/dbraw/zinc/05/74/59/1070057459.db2.gz MRLJWURJACLVGY-INIZCTEOSA-N 1 0 482.854 4.197 20 0 JIADRO CC(C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359604927 1070063982 /nfs/dbraw/zinc/06/39/82/1070063982.db2.gz LCPNKYKGQDVPCF-GOSISDBHSA-N 1 0 450.052 4.059 20 0 JIADRO CC(C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359605150 1070064858 /nfs/dbraw/zinc/06/48/58/1070064858.db2.gz TXMFQLFPLWFETQ-UHFFFAOYSA-N 1 0 497.709 4.352 20 0 JIADRO CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359609542 1070072551 /nfs/dbraw/zinc/07/25/51/1070072551.db2.gz ICDVUIBLSRCDGS-PUHATCMVSA-N 1 0 450.631 4.075 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359620330 1070093368 /nfs/dbraw/zinc/09/33/68/1070093368.db2.gz OVSUMDBWHAFDOW-XMMPIXPASA-N 1 0 480.701 4.470 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC1 ZINC001359624226 1070108714 /nfs/dbraw/zinc/10/87/14/1070108714.db2.gz SKESODMADIVZEG-UHFFFAOYSA-N 1 0 493.483 4.479 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359625607 1070114348 /nfs/dbraw/zinc/11/43/48/1070114348.db2.gz NYCFSBHUTYYYIM-NRFANRHFSA-N 1 0 458.676 4.041 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359626114 1070118155 /nfs/dbraw/zinc/11/81/55/1070118155.db2.gz DJECIOKERMTVSR-DENIHFKCSA-N 1 0 472.653 4.006 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359628570 1070134004 /nfs/dbraw/zinc/13/40/04/1070134004.db2.gz GCIVIGCBCRNTHP-UPVQGACJSA-N 1 0 482.717 4.376 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629152 1070138528 /nfs/dbraw/zinc/13/85/28/1070138528.db2.gz QDJIORJORCPFKW-PKTZIBPZSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359629452 1070141279 /nfs/dbraw/zinc/14/12/79/1070141279.db2.gz VPYVYGHARJPABZ-UKILVPOCSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629577 1070141551 /nfs/dbraw/zinc/14/15/51/1070141551.db2.gz XXJVFWGSDUKUOY-UIOOFZCWSA-N 1 0 494.728 4.172 20 0 JIADRO CC(C)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359647246 1070198459 /nfs/dbraw/zinc/19/84/59/1070198459.db2.gz UDHCEWVUUNCUAF-YTFSRNRJSA-N 1 0 475.722 4.428 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359655424 1070226216 /nfs/dbraw/zinc/22/62/16/1070226216.db2.gz VXNWOWVXAUBCJM-NRFANRHFSA-N 1 0 460.711 4.219 20 0 JIADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCCCC1)[NH+]1CCCC1 ZINC001359657439 1070245580 /nfs/dbraw/zinc/24/55/80/1070245580.db2.gz HXLLGOMIUMYEMH-OAQYLSRUSA-N 1 0 453.635 4.062 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001359658129 1070252543 /nfs/dbraw/zinc/25/25/43/1070252543.db2.gz UXZZJQHPKZKSDL-HXUWFJFHSA-N 1 0 476.463 4.443 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001359658461 1070255494 /nfs/dbraw/zinc/25/54/94/1070255494.db2.gz CAHRGQDRVJKWGW-HXUWFJFHSA-N 1 0 490.439 4.035 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001359659740 1070267940 /nfs/dbraw/zinc/26/79/40/1070267940.db2.gz CUBQQEKNGSHFAL-RXVVDRJESA-N 1 0 482.570 4.277 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001359659741 1070269112 /nfs/dbraw/zinc/26/91/12/1070269112.db2.gz CUBQQEKNGSHFAL-WIYYLYMNSA-N 1 0 482.570 4.277 20 0 JIADRO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001359661708 1070278537 /nfs/dbraw/zinc/27/85/37/1070278537.db2.gz MWOQUNPGKSQRAH-CTNGQTDRSA-N 1 0 460.667 4.112 20 0 JIADRO Cc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001492596240 1070284062 /nfs/dbraw/zinc/28/40/62/1070284062.db2.gz IDFWMNOPZVITLI-QHCPKHFHSA-N 1 0 496.700 4.285 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC001359663876 1070289402 /nfs/dbraw/zinc/28/94/02/1070289402.db2.gz WHLLWVHXJHAEHL-HSZRJFAPSA-N 1 0 454.663 4.003 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359664185 1070291027 /nfs/dbraw/zinc/29/10/27/1070291027.db2.gz AQWZZCUQBKNBKL-GOTSBHOMSA-N 1 0 454.663 4.168 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+]1CCCC1 ZINC001359664108 1070291112 /nfs/dbraw/zinc/29/11/12/1070291112.db2.gz ZRGOTEQGXSXXOI-JOCHJYFZSA-N 1 0 453.679 4.011 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCS[C@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001359666287 1070301174 /nfs/dbraw/zinc/30/11/74/1070301174.db2.gz QSRBFOWGCAETOE-SBHAEUEKSA-N 1 0 461.651 4.447 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492596432 1070322649 /nfs/dbraw/zinc/32/26/49/1070322649.db2.gz QZWNIJWVBHYRNM-SZPZYZBQSA-N 1 0 468.690 4.098 20 0 JIADRO CC(C)c1nnc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)o1 ZINC001359675677 1070329437 /nfs/dbraw/zinc/32/94/37/1070329437.db2.gz RETXWHUJRMMDSC-RTBURBONSA-N 1 0 487.674 4.315 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001359677888 1070332410 /nfs/dbraw/zinc/33/24/10/1070332410.db2.gz QOMBTQZEUDRDON-QHCPKHFHSA-N 1 0 466.674 4.151 20 0 JIADRO CC(C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359678082 1070332765 /nfs/dbraw/zinc/33/27/65/1070332765.db2.gz WKZYJLFNIJHXMS-QFIPXVFZSA-N 1 0 464.614 4.038 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359678431 1070333196 /nfs/dbraw/zinc/33/31/96/1070333196.db2.gz FPMNWZDHYWQQBB-LJQANCHMSA-N 1 0 453.660 4.310 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001492596575 1070337745 /nfs/dbraw/zinc/33/77/45/1070337745.db2.gz SPPBRVUQTSXMIG-ISKFKSNPSA-N 1 0 454.663 4.131 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccccc1Cl ZINC001359686163 1070342555 /nfs/dbraw/zinc/34/25/55/1070342555.db2.gz UVAIGCBWNPMCPD-SIKLNZKXSA-N 1 0 456.038 4.356 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359691228 1070348066 /nfs/dbraw/zinc/34/80/66/1070348066.db2.gz GHBSKSMHHCVEMR-WMZHIEFXSA-N 1 0 472.653 4.221 20 0 JIADRO CC(C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359697600 1070357979 /nfs/dbraw/zinc/35/79/79/1070357979.db2.gz YAGWRVZBWYSIHQ-ZWKOTPCHSA-N 1 0 462.664 4.117 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359696076 1070354638 /nfs/dbraw/zinc/35/46/38/1070354638.db2.gz BBYXREODDVAPSO-MOPGFXCFSA-N 1 0 476.691 4.459 20 0 JIADRO CC(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359700048 1070362920 /nfs/dbraw/zinc/36/29/20/1070362920.db2.gz BAYMYLXBHCMVAN-GBXCKJPGSA-N 1 0 458.006 4.135 20 0 JIADRO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359700791 1070364954 /nfs/dbraw/zinc/36/49/54/1070364954.db2.gz ZFWGJZSMQGTVTN-SFHVURJKSA-N 1 0 453.553 4.206 20 0 JIADRO CC(C)c1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359702328 1070368411 /nfs/dbraw/zinc/36/84/11/1070368411.db2.gz USUXTGKLFVCQCR-UHFFFAOYSA-N 1 0 473.687 4.109 20 0 JIADRO CC(C)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001359703737 1070369133 /nfs/dbraw/zinc/36/91/33/1070369133.db2.gz NSILPGROASXGEU-UHFFFAOYSA-N 1 0 488.652 4.340 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001359707371 1070374750 /nfs/dbraw/zinc/37/47/50/1070374750.db2.gz RLSMVWJJNJLDRI-IBGZPJMESA-N 1 0 450.672 4.073 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359706102 1070372322 /nfs/dbraw/zinc/37/23/22/1070372322.db2.gz SICPAQWZMHBCOB-FQEVSTJZSA-N 1 0 465.564 4.185 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706869 1070373643 /nfs/dbraw/zinc/37/36/43/1070373643.db2.gz IOVPPISJWAEQJB-UPVQGACJSA-N 1 0 480.701 4.437 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359707656 1070375189 /nfs/dbraw/zinc/37/51/89/1070375189.db2.gz YJOHGBFBXADRON-OALUTQOASA-N 1 0 460.623 4.133 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359708080 1070376815 /nfs/dbraw/zinc/37/68/15/1070376815.db2.gz IHHGANVQNNDXJL-QFIPXVFZSA-N 1 0 470.662 4.417 20 0 JIADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359711636 1070379863 /nfs/dbraw/zinc/37/98/63/1070379863.db2.gz NKKDQMKBYTVYFO-XWGVYQGASA-N 1 0 487.714 4.106 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001315471285 1064310496 /nfs/dbraw/zinc/31/04/96/1064310496.db2.gz VCKNGEKKVIKRES-YWEHKCAJSA-N 1 0 499.700 4.393 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)cc1O ZINC001315473445 1064315819 /nfs/dbraw/zinc/31/58/19/1064315819.db2.gz IVPTYOLMMONNRZ-UHFFFAOYSA-N 1 0 464.614 4.264 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315474480 1064320562 /nfs/dbraw/zinc/32/05/62/1064320562.db2.gz IBUNTKXPJBOBED-FYYLOGMGSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)cc1OC(F)F ZINC001315477610 1064331181 /nfs/dbraw/zinc/33/11/81/1064331181.db2.gz VRRIMQMTMXMLJI-UHFFFAOYSA-N 1 0 486.567 4.463 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1C ZINC001315477704 1064331876 /nfs/dbraw/zinc/33/18/76/1064331876.db2.gz XKGICIBQBOXSHY-UHFFFAOYSA-N 1 0 480.657 4.126 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001315480500 1064339992 /nfs/dbraw/zinc/33/99/92/1064339992.db2.gz KZJXWHQHFAVZGN-DEOSSOPVSA-N 1 0 469.674 4.321 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)cc1F ZINC001315481121 1064342132 /nfs/dbraw/zinc/34/21/32/1064342132.db2.gz XYTGAZDVORUFSD-UHFFFAOYSA-N 1 0 466.605 4.170 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001315483633 1064349626 /nfs/dbraw/zinc/34/96/26/1064349626.db2.gz QTTUTGACVIRDGB-UHFFFAOYSA-N 1 0 465.646 4.049 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1Cl ZINC001315485563 1064355375 /nfs/dbraw/zinc/35/53/75/1064355375.db2.gz UJMGCVOUJFEVEH-UHFFFAOYSA-N 1 0 489.970 4.203 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC001315498123 1064392692 /nfs/dbraw/zinc/39/26/92/1064392692.db2.gz HOGWOIHUWFGYAQ-OYRHEFFESA-N 1 0 499.700 4.258 20 0 JIADRO COc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(OC)n1 ZINC001315498331 1064392793 /nfs/dbraw/zinc/39/27/93/1064392793.db2.gz AAIJHSYKMURAQC-UHFFFAOYSA-N 1 0 492.668 4.194 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCC3)CC2)cc1Br ZINC001315498889 1064395247 /nfs/dbraw/zinc/39/52/47/1064395247.db2.gz NFTHKXWYRCUHGL-UHFFFAOYSA-N 1 0 476.463 4.361 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC001315499937 1064398881 /nfs/dbraw/zinc/39/88/81/1064398881.db2.gz FQXYMHPDAXCQCM-IBGZPJMESA-N 1 0 476.463 4.361 20 0 JIADRO COc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001315503942 1064411672 /nfs/dbraw/zinc/41/16/72/1064411672.db2.gz LXBPAQOPDAKALV-UHFFFAOYSA-N 1 0 492.668 4.482 20 0 JIADRO COc1ccc(Cn2c(N3CCC[C@H]([NH+]4CCCC4)C3)nnc2C(C)(C)C)cc1OC(F)F ZINC001315507073 1064426671 /nfs/dbraw/zinc/42/66/71/1064426671.db2.gz IINCWRQWCIWNOG-SFHVURJKSA-N 1 0 463.573 4.299 20 0 JIADRO COc1ccc(Cn2c(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)nnc2C(C)(C)C)cc1O ZINC001315507390 1064427581 /nfs/dbraw/zinc/42/75/81/1064427581.db2.gz JTFHQMDCQZBLAV-CTNGQTDRSA-N 1 0 455.647 4.429 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001315509762 1064438644 /nfs/dbraw/zinc/43/86/44/1064438644.db2.gz GGQROYZGBIETMJ-UHFFFAOYSA-N 1 0 462.038 4.081 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315510969 1064442907 /nfs/dbraw/zinc/44/29/07/1064442907.db2.gz QADOMCJEPCUSRO-OALUTQOASA-N 1 0 462.038 4.345 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315511133 1064445481 /nfs/dbraw/zinc/44/54/81/1064445481.db2.gz JBASVZJCSKQFHW-IBGZPJMESA-N 1 0 485.032 4.139 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315512511 1064450987 /nfs/dbraw/zinc/45/09/87/1064450987.db2.gz QILGQQIPPBRVGR-UHFFFAOYSA-N 1 0 487.048 4.171 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315513982 1064456965 /nfs/dbraw/zinc/45/69/65/1064456965.db2.gz YEKMYLLIOZEZLC-GOSISDBHSA-N 1 0 470.021 4.298 20 0 JIADRO COc1ccc(COCCn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315514716 1064459845 /nfs/dbraw/zinc/45/98/45/1064459845.db2.gz XQLLFNJLKALIEK-UHFFFAOYSA-N 1 0 466.630 4.057 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315515687 1064463397 /nfs/dbraw/zinc/46/33/97/1064463397.db2.gz QNNUVRSINRSWKT-OAQYLSRUSA-N 1 0 486.680 4.166 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001315527524 1064505419 /nfs/dbraw/zinc/50/54/19/1064505419.db2.gz WYNBWDQRNYIMRR-IBGZPJMESA-N 1 0 455.628 4.356 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001315527876 1064505736 /nfs/dbraw/zinc/50/57/36/1064505736.db2.gz VTVIMZARMMQJGV-BGYRXZFFSA-N 1 0 455.647 4.399 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315528132 1064506228 /nfs/dbraw/zinc/50/62/28/1064506228.db2.gz GUORZCHAWDISPN-ZRCGQRJVSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315528130 1064506474 /nfs/dbraw/zinc/50/64/74/1064506474.db2.gz GUORZCHAWDISPN-TXTKFYIRSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCSC2(C)C)cc1 ZINC001315534731 1064525037 /nfs/dbraw/zinc/52/50/37/1064525037.db2.gz VOOMASQWEZYOMH-IBGZPJMESA-N 1 0 473.687 4.364 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSC(C)C)cc1 ZINC001315534862 1064525061 /nfs/dbraw/zinc/52/50/61/1064525061.db2.gz LDHQEPBFRUGLGR-HXUWFJFHSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315536718 1064528501 /nfs/dbraw/zinc/52/85/01/1064528501.db2.gz XTKZHDPAXUBMHB-PWRODBHTSA-N 1 0 473.687 4.316 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001315542805 1064542128 /nfs/dbraw/zinc/54/21/28/1064542128.db2.gz RUIWMTJRPOKNTO-UHFFFAOYSA-N 1 0 477.657 4.280 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315544345 1064546108 /nfs/dbraw/zinc/54/61/08/1064546108.db2.gz DGINDVPGQODPHS-RBBKRZOGSA-N 1 0 491.640 4.109 20 0 JIADRO COc1cccc([C@@H](Cn2c(C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)[NH+](C)C)c1 ZINC001315545136 1064549551 /nfs/dbraw/zinc/54/95/51/1064549551.db2.gz LVNYOTLLWRQFOB-MRXNPFEDSA-N 1 0 454.522 4.010 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(C)O)CC2)c1 ZINC001315545322 1064550117 /nfs/dbraw/zinc/55/01/17/1064550117.db2.gz NIFLBXFSGOCNPC-GOSISDBHSA-N 1 0 485.032 4.046 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](SC)C(C)(C)C)CC2)c1 ZINC001315546406 1064553310 /nfs/dbraw/zinc/55/33/10/1064553310.db2.gz UTGHRFABBDZMNL-AUSIDOKSSA-N 1 0 497.713 4.348 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315546771 1064555036 /nfs/dbraw/zinc/55/50/36/1064555036.db2.gz JOTFLCQGROFITO-NVQXNPDNSA-N 1 0 466.630 4.226 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315547203 1064556160 /nfs/dbraw/zinc/55/61/60/1064556160.db2.gz NZFRQDFZJORQOH-NHCUHLMSSA-N 1 0 463.573 4.457 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@H](C)OC(C)(C)C2)[NH+]2CCCC2)c1 ZINC001315547371 1064557201 /nfs/dbraw/zinc/55/72/01/1064557201.db2.gz PPINHWBTFLDCRA-REWPJTCUSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCN([C@@H](C)c4nccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548419 1064560186 /nfs/dbraw/zinc/56/01/86/1064560186.db2.gz IMABXUXVBVCPQG-SIKLNZKXSA-N 1 0 497.713 4.227 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315549724 1064564976 /nfs/dbraw/zinc/56/49/76/1064564976.db2.gz SRVXJPOMVQKZKR-PMACEKPBSA-N 1 0 469.655 4.459 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)=C(C)C2)[NH+](C)C)c1 ZINC001315549760 1064565066 /nfs/dbraw/zinc/56/50/66/1064565066.db2.gz SAJNQRGQGUGMHZ-QHCPKHFHSA-N 1 0 466.655 4.492 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC[C@@H](c4ccnn4C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315549929 1064565504 /nfs/dbraw/zinc/56/55/04/1064565504.db2.gz SYQSRCWUUYUBPI-NFBKMPQASA-N 1 0 465.646 4.005 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315549870 1064565567 /nfs/dbraw/zinc/56/55/67/1064565567.db2.gz OLHBHQNFHOOMOD-UHFFFAOYSA-N 1 0 453.635 4.059 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)CC(C)(C)C)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001315550568 1064567177 /nfs/dbraw/zinc/56/71/77/1064567177.db2.gz WZQYKLFNKKRFKZ-NVQXNPDNSA-N 1 0 473.662 4.113 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315552736 1064569527 /nfs/dbraw/zinc/56/95/27/1064569527.db2.gz SMEXVNLHMUJOIG-NHCUHLMSSA-N 1 0 465.646 4.043 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315555891 1064575235 /nfs/dbraw/zinc/57/52/35/1064575235.db2.gz MZWHLFCXFQRURT-XZOQPEGZSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCC(=O)N2CCCCCC2)c1 ZINC001315556613 1064576213 /nfs/dbraw/zinc/57/62/13/1064576213.db2.gz CGLASTVPGLWSDE-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315558125 1064580169 /nfs/dbraw/zinc/58/01/69/1064580169.db2.gz WBPDDGHKQYDCJW-BGYRXZFFSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CCc4ccc(Cl)nc4C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315560023 1064585265 /nfs/dbraw/zinc/58/52/65/1064585265.db2.gz NJDHZJJLJWDLAN-UHFFFAOYSA-N 1 0 455.006 4.153 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)c2c(C)noc2C)c1 ZINC001315562041 1064588412 /nfs/dbraw/zinc/58/84/12/1064588412.db2.gz FJLZERYDOIHXMN-SFHVURJKSA-N 1 0 452.603 4.283 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001315564041 1064592857 /nfs/dbraw/zinc/59/28/57/1064592857.db2.gz HJSLNGQUUMITBI-UHFFFAOYSA-N 1 0 496.700 4.161 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001315564614 1064594492 /nfs/dbraw/zinc/59/44/92/1064594492.db2.gz VSMGGXAPMQRSGU-UHFFFAOYSA-N 1 0 452.603 4.208 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001315564996 1064596075 /nfs/dbraw/zinc/59/60/75/1064596075.db2.gz ZMAGNGUIPZWIIH-SANMLTNESA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@@H]2CC[C@@H](F)C2)c1 ZINC001315565929 1064597899 /nfs/dbraw/zinc/59/78/99/1064597899.db2.gz FPKBKVJFHVPNEC-UYAOXDASSA-N 1 0 499.553 4.183 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001315570479 1064612200 /nfs/dbraw/zinc/61/22/00/1064612200.db2.gz OZJIMKDUHYTBRP-ILBGXUMGSA-N 1 0 485.673 4.268 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc([C@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001315570482 1064612323 /nfs/dbraw/zinc/61/23/23/1064612323.db2.gz OZJIMKDUHYTBRP-ZCYQVOJMSA-N 1 0 485.673 4.268 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315570761 1064613902 /nfs/dbraw/zinc/61/39/02/1064613902.db2.gz KXHLQTOJXRAUHL-ILBGXUMGSA-N 1 0 479.673 4.466 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001315576503 1064633849 /nfs/dbraw/zinc/63/38/49/1064633849.db2.gz ZZNCEWVFVXIWLU-CTNGQTDRSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001315577210 1064636344 /nfs/dbraw/zinc/63/63/44/1064636344.db2.gz GIDXNUSHXBPEPM-DEOSSOPVSA-N 1 0 499.700 4.172 20 0 JIADRO COc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1OC ZINC001315580030 1064643977 /nfs/dbraw/zinc/64/39/77/1064643977.db2.gz MOXPXDHGBSPMMO-UHFFFAOYSA-N 1 0 478.641 4.272 20 0 JIADRO COc1cccc(Cl)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315586773 1064666843 /nfs/dbraw/zinc/66/68/43/1064666843.db2.gz BUMWSTNDNLLKJS-HXUWFJFHSA-N 1 0 476.065 4.439 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315593724 1064689088 /nfs/dbraw/zinc/68/90/88/1064689088.db2.gz LOTYETSGSVHIPO-UHFFFAOYSA-N 1 0 485.673 4.096 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001315596631 1064698110 /nfs/dbraw/zinc/69/81/10/1064698110.db2.gz MILIKUFJMOABRF-HXUWFJFHSA-N 1 0 479.547 4.009 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315597251 1064699724 /nfs/dbraw/zinc/69/97/24/1064699724.db2.gz QBUYBUAXVRESBE-KNQAVFIVSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001315597560 1064700796 /nfs/dbraw/zinc/70/07/96/1064700796.db2.gz DDXVDICEIIKNTD-AREMUKBSSA-N 1 0 483.682 4.480 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315598681 1064702465 /nfs/dbraw/zinc/70/24/65/1064702465.db2.gz CERRLHUCWXONJA-DEOSSOPVSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315600033 1064706052 /nfs/dbraw/zinc/70/60/52/1064706052.db2.gz XFYQYIQELYTVIY-OAQYLSRUSA-N 1 0 469.674 4.453 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315601995 1064711682 /nfs/dbraw/zinc/71/16/82/1064711682.db2.gz QYVGCIIOBNCEGZ-FCHUYYIVSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001315604658 1064718001 /nfs/dbraw/zinc/71/80/01/1064718001.db2.gz KSPAMDSMCUFXTO-IFMALSPDSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001315605834 1064720513 /nfs/dbraw/zinc/72/05/13/1064720513.db2.gz XCBVCOWTVLZUHF-UHFFFAOYSA-N 1 0 486.661 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315609168 1064728574 /nfs/dbraw/zinc/72/85/74/1064728574.db2.gz JTKZBRJXGKJIOY-HXUWFJFHSA-N 1 0 469.552 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315610382 1064730030 /nfs/dbraw/zinc/73/00/30/1064730030.db2.gz WBSORVJRNCPIGB-JOCHJYFZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315612448 1064733648 /nfs/dbraw/zinc/73/36/48/1064733648.db2.gz YAUIXBIOEIKSCB-WOJBJXKFSA-N 1 0 482.654 4.131 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315615510 1064741456 /nfs/dbraw/zinc/74/14/56/1064741456.db2.gz HWYDEBGJGZQSBU-JTHBVZDNSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315619340 1064751915 /nfs/dbraw/zinc/75/19/15/1064751915.db2.gz RVDJQGJKZYCNHU-SFTDATJTSA-N 1 0 469.655 4.247 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315620166 1064753592 /nfs/dbraw/zinc/75/35/92/1064753592.db2.gz HDMQYDFZLXFHAJ-NEKDWFFYSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315620118 1064753648 /nfs/dbraw/zinc/75/36/48/1064753648.db2.gz GLYHYGXHCVLEJA-YADHBBJMSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315623150 1064760940 /nfs/dbraw/zinc/76/09/40/1064760940.db2.gz VNSFBUCFROLDCD-HSZRJFAPSA-N 1 0 497.631 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001315623485 1064761405 /nfs/dbraw/zinc/76/14/05/1064761405.db2.gz ZWMMBNNCBCDGEP-XUZZJYLKSA-N 1 0 469.674 4.107 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC(C)(C)SC ZINC001315623445 1064761467 /nfs/dbraw/zinc/76/14/67/1064761467.db2.gz YRAYMRCKCZTFAZ-HXUWFJFHSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315623625 1064761914 /nfs/dbraw/zinc/76/19/14/1064761914.db2.gz AIONCJAXKXLOST-PXDATVDWSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001315623753 1064762456 /nfs/dbraw/zinc/76/24/56/1064762456.db2.gz BRVCGFVPXOBPAT-HSZRJFAPSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1OCCC1(C)C ZINC001315624529 1064764312 /nfs/dbraw/zinc/76/43/12/1064764312.db2.gz JOQFIMQUONMXAR-JOCHJYFZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCOC(C)C ZINC001315625707 1064768157 /nfs/dbraw/zinc/76/81/57/1064768157.db2.gz BNRULZZUYAIBLS-PKTZIBPZSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315626764 1064770799 /nfs/dbraw/zinc/77/07/99/1064770799.db2.gz WQDPGPQUNSFDRT-FGZHOGPDSA-N 1 0 499.700 4.159 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCC(C)C ZINC001315630063 1064779179 /nfs/dbraw/zinc/77/91/79/1064779179.db2.gz UZUXUMXXJGTSFW-UHFFFAOYSA-N 1 0 453.656 4.350 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315630818 1064781769 /nfs/dbraw/zinc/78/17/69/1064781769.db2.gz FCAISYKRYUBLQH-URXFXBBRSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001315631294 1064782075 /nfs/dbraw/zinc/78/20/75/1064782075.db2.gz MVPFTTGIGWLGLM-NHCUHLMSSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315631708 1064783246 /nfs/dbraw/zinc/78/32/46/1064783246.db2.gz NTNMFESOKLHJLF-MVERNJQCSA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@@H]2CCCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001315632587 1064785501 /nfs/dbraw/zinc/78/55/01/1064785501.db2.gz GBABFPZVPFZPJR-DEOSSOPVSA-N 1 0 455.647 4.472 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@H]2CCCCO2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315632883 1064786187 /nfs/dbraw/zinc/78/61/87/1064786187.db2.gz GPDIUIOEBQRPQN-JOCHJYFZSA-N 1 0 473.687 4.035 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315633133 1064787101 /nfs/dbraw/zinc/78/71/01/1064787101.db2.gz WFIRLXXGOBEHLF-AFMDSPMNSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315633485 1064788367 /nfs/dbraw/zinc/78/83/67/1064788367.db2.gz ZEXAUCYKGQRYHK-XLIONFOSSA-N 1 0 495.571 4.009 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315634458 1064789985 /nfs/dbraw/zinc/78/99/85/1064789985.db2.gz HKIUQQPHNGNZIG-DEOSSOPVSA-N 1 0 462.642 4.456 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001315651163 1064831244 /nfs/dbraw/zinc/83/12/44/1064831244.db2.gz TZGHJIAGIUSAJS-GOTSBHOMSA-N 1 0 499.700 4.139 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001315651946 1064833740 /nfs/dbraw/zinc/83/37/40/1064833740.db2.gz IPUBCJWRKGSSJE-FGZHOGPDSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315653466 1064838335 /nfs/dbraw/zinc/83/83/35/1064838335.db2.gz JHQOTXVGRUHOTG-JXHRLWIKSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315654207 1064840909 /nfs/dbraw/zinc/84/09/09/1064840909.db2.gz PBYWXMBYKDGLOB-FCHUYYIVSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC1CCOCC1 ZINC001315654565 1064842338 /nfs/dbraw/zinc/84/23/38/1064842338.db2.gz RAFQXZXVJCXQFE-UHFFFAOYSA-N 1 0 485.673 4.241 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(C)CCCS1 ZINC001315656838 1064847867 /nfs/dbraw/zinc/84/78/67/1064847867.db2.gz PPGRXNXMVFFOHN-DEOSSOPVSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](C)SC ZINC001315658146 1064851256 /nfs/dbraw/zinc/85/12/56/1064851256.db2.gz XYQGUYNTVAAYLV-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315659308 1064854448 /nfs/dbraw/zinc/85/44/48/1064854448.db2.gz ULHJLBQUIONLTA-HKBOAZHASA-N 1 0 459.610 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+](C)C1CCCC1 ZINC001315660460 1064857992 /nfs/dbraw/zinc/85/79/92/1064857992.db2.gz IEZHYOVJBXSLDN-IBGZPJMESA-N 1 0 461.701 4.395 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001315665497 1064879323 /nfs/dbraw/zinc/87/93/23/1064879323.db2.gz QHZITBVWLVDAOH-CNNODRBYSA-N 1 0 485.654 4.336 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315665879 1064880277 /nfs/dbraw/zinc/88/02/77/1064880277.db2.gz UBTAZECEHQYJMH-NHCUHLMSSA-N 1 0 486.730 4.087 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC(C)(F)F ZINC001315666705 1064883989 /nfs/dbraw/zinc/88/39/89/1064883989.db2.gz UDCYOVSWZVGZEG-KRWDZBQOSA-N 1 0 451.587 4.299 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315667308 1064886264 /nfs/dbraw/zinc/88/62/64/1064886264.db2.gz CKECHVCTFPDLRM-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315669100 1064894677 /nfs/dbraw/zinc/89/46/77/1064894677.db2.gz GDEMMTHOSOQLIO-AQNXPRMDSA-N 1 0 461.651 4.495 20 0 JIADRO COC1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001315680973 1064925227 /nfs/dbraw/zinc/92/52/27/1064925227.db2.gz KWOHYCQHGURYBH-UHFFFAOYSA-N 1 0 463.573 4.282 20 0 JIADRO COC1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001315683013 1064930888 /nfs/dbraw/zinc/93/08/88/1064930888.db2.gz REAJIHTWIDFPRZ-UHFFFAOYSA-N 1 0 460.692 4.150 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315695842 1064956618 /nfs/dbraw/zinc/95/66/18/1064956618.db2.gz IJCMLJBQWCXTGC-INIZCTEOSA-N 1 0 468.465 4.116 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315697655 1064960663 /nfs/dbraw/zinc/96/06/63/1064960663.db2.gz RBFOWXKKJZJOQY-OALUTQOASA-N 1 0 474.403 4.219 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315699310 1064963962 /nfs/dbraw/zinc/96/39/62/1064963962.db2.gz ZJCJFWAGMCJHBC-ISKFKSNPSA-N 1 0 457.638 4.380 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315702534 1064966822 /nfs/dbraw/zinc/96/68/22/1064966822.db2.gz HJXLXQSYJOTFQG-VDKIKQQVSA-N 1 0 453.675 4.437 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC2CCOCC2)CC1 ZINC001315703144 1064967436 /nfs/dbraw/zinc/96/74/36/1064967436.db2.gz BVIQGSZWIXHODL-UHFFFAOYSA-N 1 0 487.664 4.150 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001315703202 1064967458 /nfs/dbraw/zinc/96/74/58/1064967458.db2.gz CWQBZMVNIKUYHW-UHFFFAOYSA-N 1 0 499.059 4.431 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001315703191 1064967490 /nfs/dbraw/zinc/96/74/90/1064967490.db2.gz CMXOBYWKQQYBRS-RTBURBONSA-N 1 0 476.065 4.492 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001315703309 1064968354 /nfs/dbraw/zinc/96/83/54/1064968354.db2.gz JDYGXNQRCHKAQM-FYYLOGMGSA-N 1 0 499.700 4.225 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC(CCCO)CC2)CC1 ZINC001315705577 1064975102 /nfs/dbraw/zinc/97/51/02/1064975102.db2.gz QFVLHVKRZUKFDF-UHFFFAOYSA-N 1 0 483.701 4.056 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001315706014 1064976700 /nfs/dbraw/zinc/97/67/00/1064976700.db2.gz QKNFQZDNBMEACC-LJQANCHMSA-N 1 0 464.079 4.430 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001315706399 1064977445 /nfs/dbraw/zinc/97/74/45/1064977445.db2.gz WGSBRDIYHRXWQG-HXUWFJFHSA-N 1 0 487.693 4.256 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001315706706 1064978874 /nfs/dbraw/zinc/97/88/74/1064978874.db2.gz WFGJIBFJWLBHPY-OALUTQOASA-N 1 0 491.677 4.216 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001315707125 1064980564 /nfs/dbraw/zinc/98/05/64/1064980564.db2.gz VMOFZQVQXSQHJO-UHFFFAOYSA-N 1 0 490.555 4.060 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315707340 1064981270 /nfs/dbraw/zinc/98/12/70/1064981270.db2.gz ZISSOYJUKWYUQN-RPWUZVMVSA-N 1 0 455.647 4.025 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N(C)Cc3cscn3)CCCC2)CC1 ZINC001315709279 1064985032 /nfs/dbraw/zinc/98/50/32/1064985032.db2.gz KWWWWHINNFFTLV-UHFFFAOYSA-N 1 0 460.692 4.383 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)[C@H](C)CCc3ccc(O)cc3)CCCC2)CC1 ZINC001315709448 1064985933 /nfs/dbraw/zinc/98/59/33/1064985933.db2.gz MGOBSGZDPFTQJK-HXUWFJFHSA-N 1 0 455.647 4.173 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)Cc3cccc(OC(F)F)c3)CCCC2)CC1 ZINC001315710528 1064986463 /nfs/dbraw/zinc/98/64/63/1064986463.db2.gz WUQHVYBHUHORMC-UHFFFAOYSA-N 1 0 463.573 4.248 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCC2)CC1(C)C ZINC001315712639 1064994692 /nfs/dbraw/zinc/99/46/92/1064994692.db2.gz LFAMVJVNLJRPCR-LJQANCHMSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001315712675 1064995363 /nfs/dbraw/zinc/99/53/63/1064995363.db2.gz LNVPCJYFUXGNKT-YLJYHZDGSA-N 1 0 493.494 4.265 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC[C@H]1C ZINC001315713494 1064999046 /nfs/dbraw/zinc/99/90/46/1064999046.db2.gz MMVUMDKWRTWZIN-XQBPLPMBSA-N 1 0 462.038 4.419 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCC(C)CC2)CC1(C)C ZINC001315718050 1065011020 /nfs/dbraw/zinc/01/10/20/1065011020.db2.gz YUWFDMVSRMWYEP-LJQANCHMSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001315727881 1065024172 /nfs/dbraw/zinc/02/41/72/1065024172.db2.gz AQRQXFWMGADWCT-ZFGGDYGUSA-N 1 0 453.675 4.407 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[C@H]1C ZINC001315730502 1065027789 /nfs/dbraw/zinc/02/77/89/1065027789.db2.gz IWZRSHINHHDCQR-WTIAFYNJSA-N 1 0 453.656 4.403 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)CC[C@@H]1C ZINC001315733534 1065033158 /nfs/dbraw/zinc/03/31/58/1065033158.db2.gz SRBZEJIHZLHSQK-BGWNEDDSSA-N 1 0 452.647 4.119 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315735409 1065036568 /nfs/dbraw/zinc/03/65/68/1065036568.db2.gz YZFBYSWKUPLWIO-ZDXQCDESSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001315736116 1065037752 /nfs/dbraw/zinc/03/77/52/1065037752.db2.gz MTUGBEIOHCUQJO-NQIIRXRSSA-N 1 0 462.038 4.104 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001315738214 1065042877 /nfs/dbraw/zinc/04/28/77/1065042877.db2.gz XHYUKFZSVLWMTB-AOHZBQACSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315741146 1065049167 /nfs/dbraw/zinc/04/91/67/1065049167.db2.gz HWGATGAPMDTMEE-PLACYPQZSA-N 1 0 475.703 4.422 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@@H]1C ZINC001315743274 1065052821 /nfs/dbraw/zinc/05/28/21/1065052821.db2.gz SPTKDRCNQSKHBL-BPUDTRNYSA-N 1 0 473.637 4.368 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)CC[C@@H]1C ZINC001315745915 1065055842 /nfs/dbraw/zinc/05/58/42/1065055842.db2.gz YCIPFYHHSQNHTB-UGKGYDQZSA-N 1 0 464.054 4.491 20 0 JIADRO COCC(C)(C)CCCn1c(-c2cccn2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001315758750 1065065112 /nfs/dbraw/zinc/06/51/12/1065065112.db2.gz MZJKBMKSIQZIPT-QFIPXVFZSA-N 1 0 464.658 4.447 20 0 JIADRO COCC(C)(C)CCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001315762070 1065075154 /nfs/dbraw/zinc/07/51/54/1065075154.db2.gz ZRYWKCSTTFULHA-VXKWHMMOSA-N 1 0 455.647 4.291 20 0 JIADRO COCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001315762716 1065076786 /nfs/dbraw/zinc/07/67/86/1065076786.db2.gz MBLJRMLADSPUAM-UHFFFAOYSA-N 1 0 493.494 4.173 20 0 JIADRO COCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001315762730 1065076870 /nfs/dbraw/zinc/07/68/70/1065076870.db2.gz MXWLENZOCXFIHR-IAGOWNOFSA-N 1 0 492.462 4.062 20 0 JIADRO COCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001315769548 1065088956 /nfs/dbraw/zinc/08/89/56/1065088956.db2.gz KEKWGHPYIWVCFJ-UHFFFAOYSA-N 1 0 486.661 4.158 20 0 JIADRO COCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315769950 1065089608 /nfs/dbraw/zinc/08/96/08/1065089608.db2.gz WBMMSZYWDNMYBQ-UHFFFAOYSA-N 1 0 492.709 4.032 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001315781198 1065111810 /nfs/dbraw/zinc/11/18/10/1065111810.db2.gz IOOWRZQZWULSNR-SFHVURJKSA-N 1 0 490.073 4.316 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001315781428 1065111861 /nfs/dbraw/zinc/11/18/61/1065111861.db2.gz KLDQWQSVMHYFCC-AZUAARDMSA-N 1 0 495.499 4.139 20 0 JIADRO COC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001315796458 1065144531 /nfs/dbraw/zinc/14/45/31/1065144531.db2.gz SDEBXYWMFLXUMV-INIZCTEOSA-N 1 0 478.062 4.395 20 0 JIADRO COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315811897 1065160526 /nfs/dbraw/zinc/16/05/26/1065160526.db2.gz GADPPZJAJHVKCT-OAHLLOKOSA-N 1 0 486.455 4.208 20 0 JIADRO COC[C@H](F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001315822743 1065174772 /nfs/dbraw/zinc/17/47/72/1065174772.db2.gz BIRQOBPNMURWBU-MSOLQXFVSA-N 1 0 486.419 4.213 20 0 JIADRO COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315826310 1065181894 /nfs/dbraw/zinc/18/18/94/1065181894.db2.gz MQWOAFAULHNZDC-FQEVSTJZSA-N 1 0 482.673 4.132 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001315829763 1065190776 /nfs/dbraw/zinc/19/07/76/1065190776.db2.gz IJAYMNONHUQVOQ-FQEVSTJZSA-N 1 0 476.065 4.352 20 0 JIADRO COCC1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001315830816 1065193470 /nfs/dbraw/zinc/19/34/70/1065193470.db2.gz DPMCNIWGDBPJTK-UHFFFAOYSA-N 1 0 483.701 4.125 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001315831463 1065195724 /nfs/dbraw/zinc/19/57/24/1065195724.db2.gz VZACBFREDVUDSX-DEOSSOPVSA-N 1 0 479.673 4.360 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001315832394 1065198031 /nfs/dbraw/zinc/19/80/31/1065198031.db2.gz IDPZMWPKZATWOT-NHCUHLMSSA-N 1 0 485.673 4.094 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CC=CCC2)CC1 ZINC001315832716 1065199430 /nfs/dbraw/zinc/19/94/30/1065199430.db2.gz LWNAEFZFDUKNJC-UHFFFAOYSA-N 1 0 492.437 4.362 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001315834858 1065208636 /nfs/dbraw/zinc/20/86/36/1065208636.db2.gz OIYHETGHEASOIH-JOCHJYFZSA-N 1 0 455.647 4.150 20 0 JIADRO COCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC001315843417 1065228623 /nfs/dbraw/zinc/22/86/23/1065228623.db2.gz DRFUKTPJUFPQSQ-UHFFFAOYSA-N 1 0 485.673 4.480 20 0 JIADRO COCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001315856612 1065260759 /nfs/dbraw/zinc/26/07/59/1065260759.db2.gz FGNYJAGDSHTJQO-DHIUTWEWSA-N 1 0 482.717 4.056 20 0 JIADRO COCc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001315857081 1065261865 /nfs/dbraw/zinc/26/18/65/1065261865.db2.gz JOEJAXIZATZDDH-NRFANRHFSA-N 1 0 452.603 4.317 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315860763 1065270244 /nfs/dbraw/zinc/27/02/44/1065270244.db2.gz FGCSDGYUFPFLLG-HXUWFJFHSA-N 1 0 483.657 4.256 20 0 JIADRO COCC1=CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001315862947 1065276021 /nfs/dbraw/zinc/27/60/21/1065276021.db2.gz ROEOYLPPQUXWLR-ROUUACIJSA-N 1 0 460.022 4.337 20 0 JIADRO COCC1=CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315865592 1065281326 /nfs/dbraw/zinc/28/13/26/1065281326.db2.gz HXHNXKDSQBNOEK-RUZDIDTESA-N 1 0 451.659 4.357 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001315878870 1065312918 /nfs/dbraw/zinc/31/29/18/1065312918.db2.gz AJUJRTBRYSQXJN-NRFANRHFSA-N 1 0 457.638 4.383 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315878825 1065312989 /nfs/dbraw/zinc/31/29/89/1065312989.db2.gz JVTDHSMXOOHGAS-RJGXRXQPSA-N 1 0 456.679 4.295 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315881307 1065316487 /nfs/dbraw/zinc/31/64/87/1065316487.db2.gz BSMYITBDMNRLLM-SFHVURJKSA-N 1 0 493.494 4.411 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315881561 1065319968 /nfs/dbraw/zinc/31/99/68/1065319968.db2.gz QQRSDLLCKJSIFT-ISKFKSNPSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCCCC2)C1 ZINC001315886457 1065334658 /nfs/dbraw/zinc/33/46/58/1065334658.db2.gz ROWDDXWXKBUQRN-IBGZPJMESA-N 1 0 463.573 4.285 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315888631 1065342350 /nfs/dbraw/zinc/34/23/50/1065342350.db2.gz BUWGBZBCDADCBN-QHAWAJNXSA-N 1 0 459.610 4.152 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315895262 1065361202 /nfs/dbraw/zinc/36/12/02/1065361202.db2.gz OKFMWDGJBVQARQ-SVFBPWRDSA-N 1 0 474.719 4.253 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCC2)C1 ZINC001315898029 1065366708 /nfs/dbraw/zinc/36/67/08/1065366708.db2.gz ZCRYLNDTJJXJHC-GOSISDBHSA-N 1 0 479.467 4.165 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001315898447 1065367719 /nfs/dbraw/zinc/36/77/19/1065367719.db2.gz WZVNNRRVPHSDDG-XXBNENTESA-N 1 0 469.033 4.468 20 0 JIADRO COC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001315903209 1065381824 /nfs/dbraw/zinc/38/18/24/1065381824.db2.gz VULPIWFSPVGZDW-BPUWIUIQSA-N 1 0 499.700 4.371 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001315903211 1065381973 /nfs/dbraw/zinc/38/19/73/1065381973.db2.gz VULPIWFSPVGZDW-KMRPREKFSA-N 1 0 499.700 4.371 20 0 JIADRO COC[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315903389 1065383178 /nfs/dbraw/zinc/38/31/78/1065383178.db2.gz CCFUAJTUXDNSBU-QZTJIDSGSA-N 1 0 479.467 4.021 20 0 JIADRO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315903965 1065385257 /nfs/dbraw/zinc/38/52/57/1065385257.db2.gz FJQHUGBGOPIPQY-GOSISDBHSA-N 1 0 493.494 4.173 20 0 JIADRO 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CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316324470 1066081154 /nfs/dbraw/zinc/08/11/54/1066081154.db2.gz XGSQBTQVTWMRHA-AEFFLSMTSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1OC ZINC001316329025 1066085093 /nfs/dbraw/zinc/08/50/93/1066085093.db2.gz DASOZKWEFJQREA-VSKRKVRLSA-N 1 0 483.682 4.457 20 0 JIADRO CSC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001316370684 1066118700 /nfs/dbraw/zinc/11/87/00/1066118700.db2.gz FRLYJNWTSJBHPY-JOCHJYFZSA-N 1 0 487.714 4.164 20 0 JIADRO CSC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001316371167 1066120257 /nfs/dbraw/zinc/12/02/57/1066120257.db2.gz IXHLCFAXCCZWSR-UHFFFAOYSA-N 1 0 482.492 4.292 20 0 JIADRO CSC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001316371306 1066120973 /nfs/dbraw/zinc/12/09/73/1066120973.db2.gz HHDSOULADYBDPQ-SFTDATJTSA-N 1 0 488.721 4.144 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316374116 1066130556 /nfs/dbraw/zinc/13/05/56/1066130556.db2.gz BOGFGFZMHRSTMA-IRXDYDNUSA-N 1 0 450.052 4.040 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316377535 1066143026 /nfs/dbraw/zinc/14/30/26/1066143026.db2.gz YYYNSYSYLGPRLF-OTWHNJEPSA-N 1 0 495.112 4.484 20 0 JIADRO CS[C@@H](Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC001316392099 1066165860 /nfs/dbraw/zinc/16/58/60/1066165860.db2.gz NLRCIWGNOGPDIY-YADHBBJMSA-N 1 0 457.688 4.179 20 0 JIADRO CS[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)(C)C ZINC001316392574 1066167227 /nfs/dbraw/zinc/16/72/27/1066167227.db2.gz DOQYHHDCHQMZBW-YADHBBJMSA-N 1 0 457.688 4.190 20 0 JIADRO CSC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC001316398419 1066176088 /nfs/dbraw/zinc/17/60/88/1066176088.db2.gz ASEJTHHSEHRDSZ-OAQYLSRUSA-N 1 0 484.714 4.457 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Cl)nnc2N2CCSC[C@H]2C)CC[NH+](C)CC1 ZINC001316404329 1066186112 /nfs/dbraw/zinc/18/61/12/1066186112.db2.gz LKTZBROHPTVGRQ-MRXNPFEDSA-N 1 0 452.093 4.368 20 0 JIADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCC2CCOCC2)CC[NH+](C)CC1 ZINC001316407717 1066191604 /nfs/dbraw/zinc/19/16/04/1066191604.db2.gz QWFXNVWAXZBTDO-UHFFFAOYSA-N 1 0 493.668 4.227 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC001316407705 1066191709 /nfs/dbraw/zinc/19/17/09/1066191709.db2.gz QSAMFZOAEQSAFV-IFMALSPDSA-N 1 0 457.688 4.270 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCC(C)=C(Br)C2)CC[NH+](C)CC1 ZINC001316408425 1066192824 /nfs/dbraw/zinc/19/28/24/1066192824.db2.gz YDFGEXHGMHXXJA-UHFFFAOYSA-N 1 0 456.498 4.183 20 0 JIADRO CSC1(Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411490 1066200425 /nfs/dbraw/zinc/20/04/25/1066200425.db2.gz ODSPIZHHNUMNQY-SANMLTNESA-N 1 0 491.746 4.329 20 0 JIADRO CSC1(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316411766 1066201476 /nfs/dbraw/zinc/20/14/76/1066201476.db2.gz VKFUZVIQLNMDON-NVXWUHKLSA-N 1 0 473.634 4.392 20 0 JIADRO CSC1(Cn2c(Cc3ccsc3)nnc2N2CCC(OC(C)C)CC2)CC[NH+](C)CC1 ZINC001316412068 1066201793 /nfs/dbraw/zinc/20/17/93/1066201793.db2.gz WXOKVFKNRUXHEQ-UHFFFAOYSA-N 1 0 463.717 4.152 20 0 JIADRO CSc1cc(C)ccc1Cn1c(N(C)C2CC[NH+](CCn3cccn3)CC2)nnc1C(C)(C)C ZINC001316414134 1066207384 /nfs/dbraw/zinc/20/73/84/1066207384.db2.gz HSIWSYIBWJMRJA-UHFFFAOYSA-N 1 0 481.714 4.452 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001316419989 1066223695 /nfs/dbraw/zinc/22/36/95/1066223695.db2.gz OJDACLPDSRUJEO-UHFFFAOYSA-N 1 0 470.687 4.137 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCSCC1 ZINC001316420763 1066225326 /nfs/dbraw/zinc/22/53/26/1066225326.db2.gz WYIGWDVBIYSYJG-UHFFFAOYSA-N 1 0 475.087 4.401 20 0 JIADRO CSc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001316421137 1066226935 /nfs/dbraw/zinc/22/69/35/1066226935.db2.gz SLCIWWGJYUMUDD-UHFFFAOYSA-N 1 0 481.714 4.415 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC001324751001 1066228597 /nfs/dbraw/zinc/22/85/97/1066228597.db2.gz TYLOVZVDSQXVGT-RASJMTDNSA-N 1 0 493.648 4.345 20 0 JIADRO O=C(COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001324874496 1066232010 /nfs/dbraw/zinc/23/20/10/1066232010.db2.gz CJRZAKTZIQSFLG-HXUWFJFHSA-N 1 0 461.484 4.033 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001316423510 1066236050 /nfs/dbraw/zinc/23/60/50/1066236050.db2.gz NXVDUAAIESYLQM-DOTOQJQBSA-N 1 0 467.481 4.242 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316423574 1066236080 /nfs/dbraw/zinc/23/60/80/1066236080.db2.gz OXVXRZQKQVRFGR-RXVVDRJESA-N 1 0 495.640 4.237 20 0 JIADRO Cc1cc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)ccc1N1CC[NH+](C)CC1 ZINC001325093448 1066237713 /nfs/dbraw/zinc/23/77/13/1066237713.db2.gz GSLGBDFWQZSDJP-UHFFFAOYSA-N 1 0 458.591 4.308 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 ZINC001325214805 1066239884 /nfs/dbraw/zinc/23/98/84/1066239884.db2.gz KFCJEVZSMFBUNZ-UHFFFAOYSA-N 1 0 473.573 4.465 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316426317 1066245959 /nfs/dbraw/zinc/24/59/59/1066245959.db2.gz YGLFEFREYSSDEL-FQRUVTKNSA-N 1 0 484.714 4.269 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426409 1066246192 /nfs/dbraw/zinc/24/61/92/1066246192.db2.gz BMPMKIKWYVPFGN-QHCPKHFHSA-N 1 0 468.646 4.257 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001316432924 1066276941 /nfs/dbraw/zinc/27/69/41/1066276941.db2.gz XZIYUCWNYLSJOT-RLWLMLJZSA-N 1 0 487.714 4.077 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492500040 1066278706 /nfs/dbraw/zinc/27/87/06/1066278706.db2.gz NDYNVRXTOKBTRS-GOSISDBHSA-N 1 0 490.578 4.158 20 0 JIADRO CSCc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001316435210 1066283891 /nfs/dbraw/zinc/28/38/91/1066283891.db2.gz VFOFYIKWZFKNAU-QFIPXVFZSA-N 1 0 457.688 4.252 20 0 JIADRO CN(C(=O)c1ccccc1NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC001326128055 1066285170 /nfs/dbraw/zinc/28/51/70/1066285170.db2.gz CSMMEVVCUVESOX-UHFFFAOYSA-N 1 0 477.653 4.160 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316435756 1066287230 /nfs/dbraw/zinc/28/72/30/1066287230.db2.gz YZIRZADOUVUSNI-PKOBYXMFSA-N 1 0 495.535 4.498 20 0 JIADRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001326207123 1066288404 /nfs/dbraw/zinc/28/84/04/1066288404.db2.gz RZAMZRDCSXHCGK-UHFFFAOYSA-N 1 0 480.996 4.171 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316438527 1066293160 /nfs/dbraw/zinc/29/31/60/1066293160.db2.gz TXNTZVZAIXXDBK-QHAWAJNXSA-N 1 0 457.688 4.473 20 0 JIADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326432309 1066296846 /nfs/dbraw/zinc/29/68/46/1066296846.db2.gz OVQVEXKALSYNSB-JOCHJYFZSA-N 1 0 491.463 4.206 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001316441430 1066301805 /nfs/dbraw/zinc/30/18/05/1066301805.db2.gz CZLMANHWAUKABA-WOJBJXKFSA-N 1 0 461.651 4.450 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CC=CCC1 ZINC001316441892 1066302932 /nfs/dbraw/zinc/30/29/32/1066302932.db2.gz LWAXBNGKHOZNJQ-LJQANCHMSA-N 1 0 492.487 4.213 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001316443098 1066307102 /nfs/dbraw/zinc/30/71/02/1066307102.db2.gz XEYKHLZDGYRDCC-LJQANCHMSA-N 1 0 450.052 4.328 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001326934910 1066307555 /nfs/dbraw/zinc/30/75/55/1066307555.db2.gz UJVRGHMJCUEEJY-UHFFFAOYSA-N 1 0 492.620 4.176 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC001327056900 1066309838 /nfs/dbraw/zinc/30/98/38/1066309838.db2.gz QTMYCCPIRAKPBR-PKTZIBPZSA-N 1 0 454.615 4.147 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[NH+]1CCC(C)CC1 ZINC001316444222 1066310901 /nfs/dbraw/zinc/31/09/01/1066310901.db2.gz AHBBQSHCRZRHJX-LJQANCHMSA-N 1 0 459.660 4.026 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+](C)C ZINC001316445752 1066316289 /nfs/dbraw/zinc/31/62/89/1066316289.db2.gz QXTQGNUKGIWIFF-OAHLLOKOSA-N 1 0 471.513 4.212 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001316446433 1066318003 /nfs/dbraw/zinc/31/80/03/1066318003.db2.gz UETGREQYQAGUDS-NTKDMRAZSA-N 1 0 485.727 4.146 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001316446757 1066319280 /nfs/dbraw/zinc/31/92/80/1066319280.db2.gz HSGJDKAKENIQBN-VXKWHMMOSA-N 1 0 479.735 4.380 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316447003 1066319594 /nfs/dbraw/zinc/31/95/94/1066319594.db2.gz NSNMPMHXUSPYCN-PMACEKPBSA-N 1 0 450.656 4.365 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001316447574 1066321833 /nfs/dbraw/zinc/32/18/33/1066321833.db2.gz ZTJKEDNQYYIVBY-UFYCRDLUSA-N 1 0 460.692 4.114 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492507862 1066331708 /nfs/dbraw/zinc/33/17/08/1066331708.db2.gz BGIWSCLSVZHLSA-DEOSSOPVSA-N 1 0 494.606 4.300 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492508662 1066334733 /nfs/dbraw/zinc/33/47/33/1066334733.db2.gz XBOYCPPEBVGCFV-UHFFFAOYSA-N 1 0 485.677 4.262 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)C2)ccn1 ZINC001329440719 1066338094 /nfs/dbraw/zinc/33/80/94/1066338094.db2.gz DXVGIAGMQQMSPS-QHCPKHFHSA-N 1 0 462.594 4.433 20 0 JIADRO CSCCCCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316455380 1066343453 /nfs/dbraw/zinc/34/34/53/1066343453.db2.gz XDIPJAURPSHVTG-UHFFFAOYSA-N 1 0 457.688 4.335 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2Cc2ccccc2OCC[NH+](C)C)n1 ZINC001492511015 1066343610 /nfs/dbraw/zinc/34/36/10/1066343610.db2.gz KDKMUTWYUJAFPN-UHFFFAOYSA-N 1 0 478.641 4.031 20 0 JIADRO CSCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316458635 1066350067 /nfs/dbraw/zinc/35/00/67/1066350067.db2.gz GAFLSONQSYABHJ-LJQANCHMSA-N 1 0 477.650 4.001 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001492512606 1066351221 /nfs/dbraw/zinc/35/12/21/1066351221.db2.gz LHADGQZVOVSFAY-OAQYLSRUSA-N 1 0 467.415 4.440 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)ccn1 ZINC001331301371 1066358025 /nfs/dbraw/zinc/35/80/25/1066358025.db2.gz NRCVQQGCDRALEQ-DEOSSOPVSA-N 1 0 494.636 4.053 20 0 JIADRO CSCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001316461866 1066358508 /nfs/dbraw/zinc/35/85/08/1066358508.db2.gz GOAGPNPMYQYUBK-HSZRJFAPSA-N 1 0 456.704 4.355 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492515466 1066360557 /nfs/dbraw/zinc/36/05/57/1066360557.db2.gz AEGGVWDLJNDJOZ-UHFFFAOYSA-N 1 0 453.660 4.371 20 0 JIADRO Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492515990 1066363167 /nfs/dbraw/zinc/36/31/67/1066363167.db2.gz MMBNTNGPPSMCOZ-UHFFFAOYSA-N 1 0 480.636 4.018 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@](C)(O)c2ccccc2Cl)n1 ZINC001492516808 1066365897 /nfs/dbraw/zinc/36/58/97/1066365897.db2.gz XUCFFTLFPLWUNH-RUZDIDTESA-N 1 0 469.033 4.130 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4ccccc4F)C[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492518040 1066374714 /nfs/dbraw/zinc/37/47/14/1066374714.db2.gz PJQXVXYEVMMECW-FCHUYYIVSA-N 1 0 479.648 4.479 20 0 JIADRO CSCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001316470280 1066375883 /nfs/dbraw/zinc/37/58/83/1066375883.db2.gz BNGXNISFMYYKSL-UHFFFAOYSA-N 1 0 480.723 4.068 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC001332638240 1066378243 /nfs/dbraw/zinc/37/82/43/1066378243.db2.gz CVTYMAOIBSDJAL-GOTSBHOMSA-N 1 0 462.642 4.415 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316471806 1066379176 /nfs/dbraw/zinc/37/91/76/1066379176.db2.gz UQYROKPQMNZOEF-OAQYLSRUSA-N 1 0 459.660 4.244 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492518706 1066380575 /nfs/dbraw/zinc/38/05/75/1066380575.db2.gz OAMJSPUQJNTBRJ-MJGOQNOKSA-N 1 0 493.603 4.086 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001333165617 1066384324 /nfs/dbraw/zinc/38/43/24/1066384324.db2.gz HTTJAUQXYIOUEV-DHIUTWEWSA-N 1 0 473.459 4.403 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492520856 1066387870 /nfs/dbraw/zinc/38/78/70/1066387870.db2.gz WNHGYJYXHPKNTO-RLWLMLJZSA-N 1 0 454.663 4.410 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc4c(cc(Br)cc4F)[nH]3)CC2)c1 ZINC001334261276 1066395244 /nfs/dbraw/zinc/39/52/44/1066395244.db2.gz WKLAPLYTBNPQNG-UHFFFAOYSA-N 1 0 460.347 4.473 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)c1 ZINC001492524368 1066398131 /nfs/dbraw/zinc/39/81/31/1066398131.db2.gz MGSSFUJDFHYDOK-XMMPIXPASA-N 1 0 467.702 4.479 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1F ZINC001316488634 1066417358 /nfs/dbraw/zinc/41/73/58/1066417358.db2.gz PKWROWYYETVBBL-APWZRJJASA-N 1 0 475.410 4.352 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC2CC2)n1CCSCC(F)(F)F ZINC001316496336 1066444982 /nfs/dbraw/zinc/44/49/82/1066444982.db2.gz JZJJQBFGCCRZJN-QGZVFWFLSA-N 1 0 453.578 4.237 20 0 JIADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316497469 1066449098 /nfs/dbraw/zinc/44/90/98/1066449098.db2.gz GGCRNUUDWGOYHZ-ISKFKSNPSA-N 1 0 496.700 4.289 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCN(C)CC(F)(F)F ZINC001316497703 1066451244 /nfs/dbraw/zinc/45/12/44/1066451244.db2.gz SRLFWPREXAOWFT-LJQANCHMSA-N 1 0 492.615 4.135 20 0 JIADRO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001316500532 1066460290 /nfs/dbraw/zinc/46/02/90/1066460290.db2.gz HWZDVLGKRXXOQX-QFIPXVFZSA-N 1 0 496.700 4.383 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316501438 1066461984 /nfs/dbraw/zinc/46/19/84/1066461984.db2.gz SEXWUJKPIKEUKJ-SVMVAKDDSA-N 1 0 472.559 4.433 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504353 1066473104 /nfs/dbraw/zinc/47/31/04/1066473104.db2.gz KHQHUDOUSMVTFR-SZPZYZBQSA-N 1 0 469.674 4.118 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCc3ccsc3)CC2)C[C@H](C)O1 ZINC001316504762 1066476770 /nfs/dbraw/zinc/47/67/70/1066476770.db2.gz PBPHLSZFRNKGGJ-BGYRXZFFSA-N 1 0 459.704 4.497 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316504977 1066477363 /nfs/dbraw/zinc/47/73/63/1066477363.db2.gz KMIAGYYEXWJDSL-OXJNMPFZSA-N 1 0 487.446 4.342 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316505567 1066479401 /nfs/dbraw/zinc/47/94/01/1066479401.db2.gz TXADILFAZAWKMT-RDJZCZTQSA-N 1 0 461.035 4.362 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC001337420037 1066481881 /nfs/dbraw/zinc/48/18/81/1066481881.db2.gz KWSDNBZVFHJXLY-UHFFFAOYSA-N 1 0 497.949 4.052 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316508507 1066488168 /nfs/dbraw/zinc/48/81/68/1066488168.db2.gz VMICXMKDTMYOGU-IBGZPJMESA-N 1 0 459.610 4.122 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1 ZINC001337515926 1066489262 /nfs/dbraw/zinc/48/92/62/1066489262.db2.gz SZGMCHGMUUFJLQ-UHFFFAOYSA-N 1 0 495.620 4.212 20 0 JIADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)C1 ZINC001316508916 1066489588 /nfs/dbraw/zinc/48/95/88/1066489588.db2.gz OQONNUKWJPMCBJ-UHFFFAOYSA-N 1 0 499.550 4.300 20 0 JIADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)ccn2)CC1 ZINC001337600513 1066497914 /nfs/dbraw/zinc/49/79/14/1066497914.db2.gz YUOWWAJDQWVUOL-UHFFFAOYSA-N 1 0 471.536 4.225 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)CC2)cc1 ZINC001337614959 1066499842 /nfs/dbraw/zinc/49/98/42/1066499842.db2.gz ZCGMKHSJHZUMCG-UHFFFAOYSA-N 1 0 469.633 4.370 20 0 JIADRO FC(F)(F)CSCCn1c(Cc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316516195 1066512406 /nfs/dbraw/zinc/51/24/06/1066512406.db2.gz TYJWYTSAPXWVJL-UHFFFAOYSA-N 1 0 468.593 4.014 20 0 JIADRO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC001337818624 1066513934 /nfs/dbraw/zinc/51/39/34/1066513934.db2.gz AAKDWPQQFWTCRK-OAQYLSRUSA-N 1 0 463.534 4.116 20 0 JIADRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001338004316 1066524492 /nfs/dbraw/zinc/52/44/92/1066524492.db2.gz OURUWIMMNSGPAH-RCZVLFRGSA-N 1 0 452.986 4.021 20 0 JIADRO Fc1cccc(F)c1Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCC[NH+]1CCOCC1 ZINC001316523242 1066532465 /nfs/dbraw/zinc/53/24/65/1066532465.db2.gz AAMGBGNZBBGLGE-UHFFFAOYSA-N 1 0 486.394 4.159 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC(F)(F)Br ZINC001316525545 1066539854 /nfs/dbraw/zinc/53/98/54/1066539854.db2.gz DVVABUCJPOIOSD-MRXNPFEDSA-N 1 0 472.353 4.060 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)COC2)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001338307380 1066544523 /nfs/dbraw/zinc/54/45/23/1066544523.db2.gz BHFONZMYYLHTQV-UHFFFAOYSA-O 1 0 496.634 4.446 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H](C)CNC(=O)OC(C)(C)C)CC2)c1 ZINC001492534606 1066581568 /nfs/dbraw/zinc/58/15/68/1066581568.db2.gz IFIAMEBXWXGCBI-OAQYLSRUSA-N 1 0 493.656 4.065 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCOc1ccc2c(c1)CCC(=O)N2 ZINC001341770757 1066589055 /nfs/dbraw/zinc/58/90/55/1066589055.db2.gz JRWRCSPWWCDCAV-IBGZPJMESA-N 1 0 452.551 4.060 20 0 JIADRO OC1(C(F)(F)F)CCN(c2nnc(CCc3ccccc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001316583233 1066601008 /nfs/dbraw/zinc/60/10/08/1066601008.db2.gz XTMHHFYBKBHJJN-UHFFFAOYSA-N 1 0 479.591 4.223 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585748 1066607629 /nfs/dbraw/zinc/60/76/29/1066607629.db2.gz XSZUIOSIYHYOPZ-AZUAARDMSA-N 1 0 467.992 4.317 20 0 JIADRO OCCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001316588313 1066615114 /nfs/dbraw/zinc/61/51/14/1066615114.db2.gz IJRMVKFGRXQFLC-FQEVSTJZSA-N 1 0 464.079 4.451 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492538513 1066616448 /nfs/dbraw/zinc/61/64/48/1066616448.db2.gz HSAZKJBBTPLGEH-HXUWFJFHSA-N 1 0 454.644 4.379 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3nnc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC001343803425 1066619579 /nfs/dbraw/zinc/61/95/79/1066619579.db2.gz ONOKNBAHADHGCZ-UHFFFAOYSA-N 1 0 485.382 4.387 20 0 JIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001345017169 1066638224 /nfs/dbraw/zinc/63/82/24/1066638224.db2.gz DVDLHXIBECROES-VWLOTQADSA-N 1 0 457.578 4.266 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001492541016 1066642635 /nfs/dbraw/zinc/64/26/35/1066642635.db2.gz BGACUHITLUFOMA-XMMPIXPASA-N 1 0 497.606 4.426 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492542799 1066661609 /nfs/dbraw/zinc/66/16/09/1066661609.db2.gz TYDQEEGXUYQPDD-HFSMHLIXSA-N 1 0 493.530 4.217 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001492543306 1066664829 /nfs/dbraw/zinc/66/48/29/1066664829.db2.gz HOWMORRUBHXMLG-BJKOFHAPSA-N 1 0 469.674 4.273 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)c(C)c2)CC1 ZINC001347797445 1066701171 /nfs/dbraw/zinc/70/11/71/1066701171.db2.gz MZXJGFOMTAEYLS-LVXARBLLSA-N 1 0 456.631 4.113 20 0 JIADRO CCc1ccc([C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(F)c2)cc1 ZINC001317854252 1066734743 /nfs/dbraw/zinc/73/47/43/1066734743.db2.gz XJICYNLHCKEXQS-SANMLTNESA-N 1 0 461.585 4.124 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC001348373463 1066740416 /nfs/dbraw/zinc/74/04/16/1066740416.db2.gz WWDKYONNJCNKDO-NDEPHWFRSA-N 1 0 467.613 4.364 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c(I)c1)c1ccccc1 ZINC001348428056 1066743455 /nfs/dbraw/zinc/74/34/55/1066743455.db2.gz KHXRYDLMKWUAFJ-SFHVURJKSA-N 1 0 452.336 4.113 20 0 JIADRO CCOc1cc(-c2nn(CN3CC[NH+](C(C)(C)C)CC3)c(=S)o2)cc(OCC)c1OCC ZINC001317891385 1066761224 /nfs/dbraw/zinc/76/12/24/1066761224.db2.gz VVMPZUKTQRSMDD-UHFFFAOYSA-N 1 0 464.632 4.442 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2)C1 ZINC001317914635 1066783664 /nfs/dbraw/zinc/78/36/64/1066783664.db2.gz KGFCIKKJTMGKJB-NRFANRHFSA-N 1 0 488.632 4.136 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC001317927000 1066790644 /nfs/dbraw/zinc/79/06/44/1066790644.db2.gz HGPFCQIOXSPQID-UHFFFAOYSA-N 1 0 469.529 4.063 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 ZINC001317930216 1066792704 /nfs/dbraw/zinc/79/27/04/1066792704.db2.gz BGTNXQXINZCXNJ-UHFFFAOYSA-N 1 0 498.631 4.420 20 0 JIADRO Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)ccc1N1CC[NH+](C)CC1 ZINC001317961720 1066814456 /nfs/dbraw/zinc/81/44/56/1066814456.db2.gz YRGQKRSMPZHJSE-RUZDIDTESA-N 1 0 487.604 4.277 20 0 JIADRO COc1cc(-c2cc(C(=O)N3CC[NH+](C(C)(C)C)CC3)c3ccccc3n2)cc(OC)c1OC ZINC001317980495 1066829800 /nfs/dbraw/zinc/82/98/00/1066829800.db2.gz HFXAZJCFJCJGMT-UHFFFAOYSA-N 1 0 463.578 4.484 20 0 JIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC001317982268 1066830299 /nfs/dbraw/zinc/83/02/99/1066830299.db2.gz RQMLBLMXTKRLHD-LDETYFQJSA-N 1 0 476.631 4.415 20 0 JIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC001317982269 1066830352 /nfs/dbraw/zinc/83/03/52/1066830352.db2.gz RQMLBLMXTKRLHD-OYQOIYBLSA-N 1 0 476.631 4.415 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492546930 1066855987 /nfs/dbraw/zinc/85/59/87/1066855987.db2.gz IITNRSJNWDXLRX-YADHBBJMSA-N 1 0 498.672 4.095 20 0 JIADRO CS(=O)(=O)Nc1ccccc1CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001318035870 1066863400 /nfs/dbraw/zinc/86/34/00/1066863400.db2.gz FVECTDUTEUKFAH-UHFFFAOYSA-N 1 0 499.464 4.173 20 0 JIADRO O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001349691936 1066872608 /nfs/dbraw/zinc/87/26/08/1066872608.db2.gz GLNJXPXSPKXIFL-UHFFFAOYSA-N 1 0 455.624 4.102 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001318059305 1066876510 /nfs/dbraw/zinc/87/65/10/1066876510.db2.gz UGNAMLMGKKIYRM-SFHVURJKSA-N 1 0 464.031 4.017 20 0 JIADRO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001318060448 1066877380 /nfs/dbraw/zinc/87/73/80/1066877380.db2.gz JDZIYLZDBVDLHG-UHFFFAOYSA-N 1 0 472.618 4.334 20 0 JIADRO O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318063978 1066881188 /nfs/dbraw/zinc/88/11/88/1066881188.db2.gz GBNXSGDAGASVHR-NRFANRHFSA-N 1 0 469.561 4.001 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318084206 1066891983 /nfs/dbraw/zinc/89/19/83/1066891983.db2.gz JOCTZFLGRUZDMM-MHLNXUHPSA-N 1 0 479.621 4.036 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(S(=O)(=O)CC)ccc2Br)c1 ZINC001349917016 1066896517 /nfs/dbraw/zinc/89/65/17/1066896517.db2.gz PKLCMJVQRSXDQH-UHFFFAOYSA-N 1 0 453.402 4.337 20 0 JIADRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001318103083 1066900469 /nfs/dbraw/zinc/90/04/69/1066900469.db2.gz QKOVRMORAMUUFL-LEAFIULHSA-N 1 0 480.612 4.359 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001318142019 1066921280 /nfs/dbraw/zinc/92/12/80/1066921280.db2.gz WJPLOMXMBXWMOR-HNNXBMFYSA-N 1 0 470.422 4.256 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)cc2)C[C@H](C)O1 ZINC001318142462 1066921568 /nfs/dbraw/zinc/92/15/68/1066921568.db2.gz XMHVWGNHKATUSJ-OYRHEFFESA-N 1 0 484.604 4.029 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC001350368293 1066948825 /nfs/dbraw/zinc/94/88/25/1066948825.db2.gz GRWIHKSPLUMTBG-GBXCKJPGSA-N 1 0 457.640 4.063 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 ZINC001350370513 1066949083 /nfs/dbraw/zinc/94/90/83/1066949083.db2.gz XLHLZGRUDMMERI-GOTSBHOMSA-N 1 0 455.599 4.460 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)CC2)c1 ZINC001318192123 1066950219 /nfs/dbraw/zinc/95/02/19/1066950219.db2.gz CMJANTQYSPBYJA-QHCPKHFHSA-N 1 0 456.656 4.498 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318195354 1066952251 /nfs/dbraw/zinc/95/22/51/1066952251.db2.gz SYTOAYSCBBUHPY-DEOSSOPVSA-N 1 0 482.028 4.462 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c2cccs2)CC1 ZINC001318196844 1066952794 /nfs/dbraw/zinc/95/27/94/1066952794.db2.gz SWLKZGMMWKTZKJ-FCHUYYIVSA-N 1 0 454.640 4.125 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001350533050 1066968320 /nfs/dbraw/zinc/96/83/20/1066968320.db2.gz AWSRREGBOMJAKH-IFMALSPDSA-N 1 0 475.555 4.346 20 0 JIADRO C[NH+]1CCN(C[C@@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c2ccccc2)CC1 ZINC001318229318 1066972958 /nfs/dbraw/zinc/97/29/58/1066972958.db2.gz DKRWPVGMZHKHMO-OAQYLSRUSA-N 1 0 455.027 4.106 20 0 JIADRO NC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001350575371 1066974016 /nfs/dbraw/zinc/97/40/16/1066974016.db2.gz VMCKJEVJRCIAIL-LEWJYISDSA-N 1 0 451.929 4.432 20 0 JIADRO CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cn1 ZINC001350648398 1066983836 /nfs/dbraw/zinc/98/38/36/1066983836.db2.gz IGOMCESCWFVYJI-UHFFFAOYSA-N 1 0 451.571 4.133 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(I)cc3Cl)c2)CC1 ZINC001318250871 1066983893 /nfs/dbraw/zinc/98/38/93/1066983893.db2.gz LVLOUVFJTCBRFO-UHFFFAOYSA-N 1 0 498.796 4.014 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492548152 1066987691 /nfs/dbraw/zinc/98/76/91/1066987691.db2.gz SVYJXTNDHITGOB-RLWLMLJZSA-N 1 0 455.647 4.291 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001350859282 1067011067 /nfs/dbraw/zinc/01/10/67/1067011067.db2.gz QSGFXCJSJBAGGN-HNNXBMFYSA-N 1 0 455.360 4.052 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1OC ZINC001318312922 1067012583 /nfs/dbraw/zinc/01/25/83/1067012583.db2.gz YCAMZFCQKHTSCM-QFIPXVFZSA-N 1 0 460.578 4.257 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300682924 1067018735 /nfs/dbraw/zinc/01/87/35/1067018735.db2.gz FOBZNCOZSPEFGI-OAQYLSRUSA-N 1 0 473.687 4.315 20 0 JIADRO Cc1ccc(Cc2cnc(NC(=O)NCc3ccccc3N3CC[NH+](C)CC3)s2)cc1F ZINC001318327829 1067019210 /nfs/dbraw/zinc/01/92/10/1067019210.db2.gz ZICKQMJPPKSSPB-UHFFFAOYSA-N 1 0 453.587 4.255 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001300683400 1067019748 /nfs/dbraw/zinc/01/97/48/1067019748.db2.gz JVYCNFDZYPZRNU-JOCHJYFZSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300684221 1067023256 /nfs/dbraw/zinc/02/32/56/1067023256.db2.gz SHVOXSLGSULCSR-MOPGFXCFSA-N 1 0 485.654 4.479 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001318347480 1067026960 /nfs/dbraw/zinc/02/69/60/1067026960.db2.gz GRZXAWBTYNJOMC-HXUWFJFHSA-N 1 0 481.044 4.318 20 0 JIADRO Fc1cc(C[NH+]2CCC(NC(=S)NCc3ccc4c(c3)OCO4)CC2)ccc1C(F)(F)F ZINC001200743002 1067028036 /nfs/dbraw/zinc/02/80/36/1067028036.db2.gz XJJZBJCPFRDFOT-UHFFFAOYSA-N 1 0 469.504 4.202 20 0 JIADRO COc1cc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc(Br)c1OCc1ccccc1 ZINC001318368779 1067033073 /nfs/dbraw/zinc/03/30/73/1067033073.db2.gz ZGPSJJXHYRFICK-ZDUSSCGKSA-N 1 0 475.305 4.193 20 0 JIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2C(=O)COc3ccccc32)cc1 ZINC001318373396 1067033873 /nfs/dbraw/zinc/03/38/73/1067033873.db2.gz VZUXMHHZTZMCBG-UHFFFAOYSA-N 1 0 454.530 4.063 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cnc(Br)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC001354677338 1067037679 /nfs/dbraw/zinc/03/76/79/1067037679.db2.gz JPUOONOSTDOSPN-SFHVURJKSA-N 1 0 452.780 4.463 20 0 JIADRO COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2)cc1 ZINC001318478744 1067047826 /nfs/dbraw/zinc/04/78/26/1067047826.db2.gz NYQJISSYLROFQG-UHFFFAOYSA-N 1 0 479.602 4.368 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)CSCc1cscn1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001354711759 1067056408 /nfs/dbraw/zinc/05/64/08/1067056408.db2.gz IBBWXFKEEVLFSU-UHFFFAOYSA-N 1 0 453.655 4.413 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2)CC1 ZINC001351198166 1067058325 /nfs/dbraw/zinc/05/83/25/1067058325.db2.gz QHCZFMYDWURLAJ-UHFFFAOYSA-N 1 0 450.583 4.378 20 0 JIADRO COc1ccncc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001300701561 1067061850 /nfs/dbraw/zinc/06/18/50/1067061850.db2.gz CTWAPQYJDZAFPM-QUCCMNQESA-N 1 0 451.571 4.333 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001351288027 1067070847 /nfs/dbraw/zinc/07/08/47/1067070847.db2.gz KOVKPSCAAGVPOL-GMAHTHKFSA-N 1 0 455.599 4.460 20 0 JIADRO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001300705212 1067071844 /nfs/dbraw/zinc/07/18/44/1067071844.db2.gz FMIBVLWDTVFVGW-NRFANRHFSA-N 1 0 462.642 4.419 20 0 JIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3nn(-c4ccccc4F)cc3Br)C2)CC1 ZINC001320931218 1067095854 /nfs/dbraw/zinc/09/58/54/1067095854.db2.gz UPIJRJXVYWHAII-KRWDZBQOSA-N 1 0 463.395 4.358 20 0 JIADRO O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC001351483898 1067103191 /nfs/dbraw/zinc/10/31/91/1067103191.db2.gz XKDOYBMCWSKZEC-NHCUHLMSSA-N 1 0 453.995 4.372 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001351527764 1067119206 /nfs/dbraw/zinc/11/92/06/1067119206.db2.gz DUKQMWQPRRWVNB-CRAIPNDOSA-N 1 0 455.352 4.429 20 0 JIADRO COC1CCC(CCn2c(CC(C)C)nnc2N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001300722441 1067119883 /nfs/dbraw/zinc/11/98/83/1067119883.db2.gz RAJBRJPARRORFJ-UHFFFAOYSA-N 1 0 453.675 4.437 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC001321494326 1067147754 /nfs/dbraw/zinc/14/77/54/1067147754.db2.gz OIFFFKDHKKPJCY-UHFFFAOYSA-N 1 0 490.069 4.171 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC001321636978 1067185619 /nfs/dbraw/zinc/18/56/19/1067185619.db2.gz SMSLWRLPCUEGLI-UHFFFAOYSA-N 1 0 462.388 4.170 20 0 JIADRO O=C(NCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccc1C(F)(F)F ZINC001321650229 1067189155 /nfs/dbraw/zinc/18/91/55/1067189155.db2.gz JZIZYUOMFKGISJ-UHFFFAOYSA-N 1 0 473.289 4.149 20 0 JIADRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc(Br)c1OCC(=O)N(C)C ZINC001321651293 1067189492 /nfs/dbraw/zinc/18/94/92/1067189492.db2.gz VZIZRWUPLSFZSL-AWEZNQCLSA-N 1 0 453.377 4.375 20 0 JIADRO CN(CC1CC[NH+](C)CC1)C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200800462 1067194866 /nfs/dbraw/zinc/19/48/66/1067194866.db2.gz UMGDVOIVINEHPM-UHFFFAOYSA-N 1 0 453.219 4.321 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 ZINC001351779363 1067202879 /nfs/dbraw/zinc/20/28/79/1067202879.db2.gz GMTHFSCCQXGQMR-QGZVFWFLSA-N 1 0 452.530 4.122 20 0 JIADRO CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)c(=O)oc2c1 ZINC001351789984 1067206679 /nfs/dbraw/zinc/20/66/79/1067206679.db2.gz VIPFHQQBQGNHAZ-UHFFFAOYSA-N 1 0 451.592 4.440 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOCC4(CCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492549342 1067214659 /nfs/dbraw/zinc/21/46/59/1067214659.db2.gz XTJGDIVTGIYHRG-JOCHJYFZSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001492492200 1067228324 /nfs/dbraw/zinc/22/83/24/1067228324.db2.gz GUQLNCBOEOVMHS-DEOSSOPVSA-N 1 0 495.716 4.044 20 0 JIADRO CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001322051077 1067243760 /nfs/dbraw/zinc/24/37/60/1067243760.db2.gz AOQZILJXJARMCW-OAHLLOKOSA-N 1 0 469.607 4.173 20 0 JIADRO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492549606 1067245215 /nfs/dbraw/zinc/24/52/15/1067245215.db2.gz HQVDTIKMRPYXDW-PMACEKPBSA-N 1 0 451.619 4.399 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001200810048 1067257132 /nfs/dbraw/zinc/25/71/32/1067257132.db2.gz DQQAOFUKANWETG-ROUUACIJSA-N 1 0 451.423 4.369 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200810047 1067257335 /nfs/dbraw/zinc/25/73/35/1067257335.db2.gz DQQAOFUKANWETG-QZTJIDSGSA-N 1 0 451.423 4.369 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC001322259532 1067267443 /nfs/dbraw/zinc/26/74/43/1067267443.db2.gz ZFFMYFVDTYPFQO-UHFFFAOYSA-N 1 0 461.634 4.136 20 0 JIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001352019088 1067270859 /nfs/dbraw/zinc/27/08/59/1067270859.db2.gz MKSIEGFJYRNHFT-KXBFYZLASA-N 1 0 450.366 4.283 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001492492741 1067288575 /nfs/dbraw/zinc/28/85/75/1067288575.db2.gz QZDLCUOXCSEMLG-JOCHJYFZSA-N 1 0 452.647 4.044 20 0 JIADRO COc1cc(C[NH2+]C[C@@H]2SCCc3ccccc32)cc(I)c1OC ZINC001200822130 1067295999 /nfs/dbraw/zinc/29/59/99/1067295999.db2.gz RLRGWKGVDIPTHH-SFHVURJKSA-N 1 0 455.361 4.429 20 0 JIADRO Cc1nc2scc(-c3ccccc3)c2c(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC001322496474 1067299486 /nfs/dbraw/zinc/29/94/86/1067299486.db2.gz SAWUITCEIAFWTB-UHFFFAOYSA-N 1 0 459.623 4.471 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492579516 1067315096 /nfs/dbraw/zinc/31/50/96/1067315096.db2.gz LNHHSCRSQKKXQE-TZIWHRDSSA-N 1 0 479.591 4.455 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)C[C@H](C)O1 ZINC001323180145 1067315782 /nfs/dbraw/zinc/31/57/82/1067315782.db2.gz UJVSCHCZMWSOQT-ZRCGQRJVSA-N 1 0 461.610 4.261 20 0 JIADRO C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)cs2)CC1 ZINC001352239350 1067315717 /nfs/dbraw/zinc/31/57/17/1067315717.db2.gz XITUIGKPRFMEBL-IHPCNDPISA-N 1 0 454.640 4.315 20 0 JIADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cc(-n4cccc4)ccc3Cl)cc2)CC1 ZINC001352239308 1067315827 /nfs/dbraw/zinc/31/58/27/1067315827.db2.gz VZJMSJRCJDDVED-UHFFFAOYSA-N 1 0 450.970 4.123 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn(-c3ccccc3OC)c2C)CC1 ZINC001354982897 1067316050 /nfs/dbraw/zinc/31/60/50/1067316050.db2.gz FPSJGYLJKNCNKP-UHFFFAOYSA-N 1 0 453.974 4.237 20 0 JIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001323360850 1067318676 /nfs/dbraw/zinc/31/86/76/1067318676.db2.gz JKHPUUSGELIGNJ-LJQANCHMSA-N 1 0 450.004 4.158 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492552753 1067319502 /nfs/dbraw/zinc/31/95/02/1067319502.db2.gz DMYOQZRVSIUIGD-NYULUDCUSA-N 1 0 499.700 4.325 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300771074 1067319675 /nfs/dbraw/zinc/31/96/75/1067319675.db2.gz CWDRWVRMAIDXTJ-DEOSSOPVSA-N 1 0 457.638 4.381 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001323413980 1067320196 /nfs/dbraw/zinc/32/01/96/1067320196.db2.gz XEUHDOTZACXUDE-UHFFFAOYSA-N 1 0 487.560 4.106 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)(c2ccccc2)C1 ZINC001352268136 1067321068 /nfs/dbraw/zinc/32/10/68/1067321068.db2.gz JOLAZEPTGYIBDF-HFZDXXHNSA-N 1 0 453.583 4.112 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001492495784 1067327518 /nfs/dbraw/zinc/32/75/18/1067327518.db2.gz FPYMPFLFLHDWEL-PMACEKPBSA-N 1 0 454.644 4.408 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300000444 1067336450 /nfs/dbraw/zinc/33/64/50/1067336450.db2.gz DBUCNSBFYWZRKY-WINIVTDRSA-N 1 0 479.673 4.451 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001300781765 1067337366 /nfs/dbraw/zinc/33/73/66/1067337366.db2.gz CNXAESGGQXHKLI-UHFFFAOYSA-N 1 0 490.574 4.227 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001300782269 1067338715 /nfs/dbraw/zinc/33/87/15/1067338715.db2.gz KEDQWKANXUMBMQ-QZTJIDSGSA-N 1 0 493.599 4.050 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497580 1067338939 /nfs/dbraw/zinc/33/89/39/1067338939.db2.gz BHLPDGPAHQZARD-GHTZIAJQSA-N 1 0 453.660 4.465 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(Cc2ccco2)C(C)C)CC1 ZINC001300782444 1067339680 /nfs/dbraw/zinc/33/96/80/1067339680.db2.gz MPOFGVQFLUSSBI-UHFFFAOYSA-N 1 0 452.603 4.238 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492497884 1067339907 /nfs/dbraw/zinc/33/99/07/1067339907.db2.gz LLXLVTUJXBNYKU-OFVILXPXSA-N 1 0 462.642 4.245 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001300783090 1067340546 /nfs/dbraw/zinc/34/05/46/1067340546.db2.gz TWYDRMXZLUUFSN-OAQYLSRUSA-N 1 0 455.647 4.006 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492498264 1067341555 /nfs/dbraw/zinc/34/15/55/1067341555.db2.gz WXZVUNLYXRGCHP-UYAOXDASSA-N 1 0 496.059 4.497 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001300784344 1067343674 /nfs/dbraw/zinc/34/36/74/1067343674.db2.gz AFSQLWHRXDAJCK-UHFFFAOYSA-N 1 0 455.578 4.127 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001300784425 1067344031 /nfs/dbraw/zinc/34/40/31/1067344031.db2.gz BPFWRXBKJPFVAY-HXUWFJFHSA-N 1 0 497.562 4.069 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)OC2CCCC2)CC1 ZINC001300784954 1067344913 /nfs/dbraw/zinc/34/49/13/1067344913.db2.gz HNCGHSBDUPHYLK-UHFFFAOYSA-N 1 0 459.610 4.208 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001300785302 1067346489 /nfs/dbraw/zinc/34/64/89/1067346489.db2.gz KMYDBTUQZFEJHH-UHFFFAOYSA-N 1 0 482.698 4.468 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300003164 1067346769 /nfs/dbraw/zinc/34/67/69/1067346769.db2.gz FNUBUBCQABMTEK-IBGZPJMESA-N 1 0 453.587 4.312 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300785931 1067348001 /nfs/dbraw/zinc/34/80/01/1067348001.db2.gz SLQUAAITGPTOGO-RBUKOAKNSA-N 1 0 491.677 4.388 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001300786849 1067349716 /nfs/dbraw/zinc/34/97/16/1067349716.db2.gz VKKRNUYHJBQPAC-GOTSBHOMSA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N(C)CCc2nccs2)CC1 ZINC001300786730 1067349876 /nfs/dbraw/zinc/34/98/76/1067349876.db2.gz OXAAENXVTGKKEF-UHFFFAOYSA-N 1 0 460.692 4.036 20 0 JIADRO CS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC001352356296 1067350116 /nfs/dbraw/zinc/35/01/16/1067350116.db2.gz JVNIHPONYVZLJP-UHFFFAOYSA-N 1 0 455.605 4.064 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)C/C(C)=C\c2ccccc2)CC1 ZINC001300787501 1067351186 /nfs/dbraw/zinc/35/11/86/1067351186.db2.gz WWEBAEWHPWRVFA-RVQWUSFHSA-N 1 0 467.658 4.211 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300004963 1067351432 /nfs/dbraw/zinc/35/14/32/1067351432.db2.gz AZNCSEAVVUKOJO-UHFFFAOYSA-N 1 0 463.573 4.176 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N(C)CCOc2ccccc2C)CC1 ZINC001300787528 1067351519 /nfs/dbraw/zinc/35/15/19/1067351519.db2.gz XFSQNGAGQGBBOA-DEOSSOPVSA-N 1 0 485.673 4.233 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001300006391 1067354985 /nfs/dbraw/zinc/35/49/85/1067354985.db2.gz OCIDKNMARHWQEN-OAHLLOKOSA-N 1 0 491.459 4.293 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C)c(NC(C)=O)c2C)CC1 ZINC001200009872 1067355867 /nfs/dbraw/zinc/35/58/67/1067355867.db2.gz DVSQYONNZOLEBI-GOSISDBHSA-N 1 0 455.578 4.426 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300006809 1067355967 /nfs/dbraw/zinc/35/59/67/1067355967.db2.gz RFWBUKJRWXYZMK-UHFFFAOYSA-N 1 0 470.643 4.177 20 0 JIADRO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC001200851977 1067357445 /nfs/dbraw/zinc/35/74/45/1067357445.db2.gz RFUUNFPCNPHGFQ-OALUTQOASA-N 1 0 450.649 4.024 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001300792903 1067363785 /nfs/dbraw/zinc/36/37/85/1067363785.db2.gz BFOOETHJHUZMDG-MSOLQXFVSA-N 1 0 493.475 4.261 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001300011105 1067364277 /nfs/dbraw/zinc/36/42/77/1067364277.db2.gz VHVZWNVVLWNOJJ-HXUWFJFHSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)F)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300012501 1067367282 /nfs/dbraw/zinc/36/72/82/1067367282.db2.gz ZOPMGYAMAWUSGT-UHFFFAOYSA-N 1 0 451.562 4.318 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC3CC3)n2CC2([NH+](C)C)CCOCC2)cc1Br ZINC001300014559 1067371032 /nfs/dbraw/zinc/37/10/32/1067371032.db2.gz DYZVWMKUOVTIMB-UHFFFAOYSA-N 1 0 492.462 4.063 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)NC2CCC([NH+]3CCCCC3)CC2)(c2ccccc2)C1 ZINC001355085712 1067371792 /nfs/dbraw/zinc/37/17/92/1067371792.db2.gz WWLPDMAFWDFNOG-IJQWPOMLSA-N 1 0 455.643 4.479 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001492554963 1067372994 /nfs/dbraw/zinc/37/29/94/1067372994.db2.gz ZRUGRZFYBWTJCQ-RJGXRXQPSA-N 1 0 487.714 4.341 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC3CC3)n2CC[NH+]2CCCCC2)cc1Br ZINC001300015606 1067373710 /nfs/dbraw/zinc/37/37/10/1067373710.db2.gz UPDXGHYANYIOTN-UHFFFAOYSA-N 1 0 462.436 4.438 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492555214 1067375234 /nfs/dbraw/zinc/37/52/34/1067375234.db2.gz GMAJAFXKGMORQM-VXKWHMMOSA-N 1 0 452.647 4.027 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001300021761 1067386146 /nfs/dbraw/zinc/38/61/46/1067386146.db2.gz JSQFBWKZVWLZJP-SXWKCWPCSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001300021834 1067386509 /nfs/dbraw/zinc/38/65/09/1067386509.db2.gz LAQWPKBVJCXHIF-IYBDPMFKSA-N 1 0 464.452 4.396 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001492581955 1067388789 /nfs/dbraw/zinc/38/87/89/1067388789.db2.gz UHNGBGNRUKWMEZ-FQEVSTJZSA-N 1 0 465.564 4.416 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(F)c(Br)cc2F)c1 ZINC001355235437 1067393480 /nfs/dbraw/zinc/39/34/80/1067393480.db2.gz IFBJRAGNHZLIIK-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001300031698 1067422844 /nfs/dbraw/zinc/42/28/44/1067422844.db2.gz ACIRUZMDPMXZQQ-DOIPELPJSA-N 1 0 485.673 4.332 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(c4cnn(C)c4)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300038724 1067452644 /nfs/dbraw/zinc/45/26/44/1067452644.db2.gz RDJKORFXZAUXMQ-UHFFFAOYSA-N 1 0 465.646 4.190 20 0 JIADRO CC(C)c1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)N2CCc3sccc3C2)cc1 ZINC001355413354 1067456711 /nfs/dbraw/zinc/45/67/11/1067456711.db2.gz RZUQVGOUAXXSFC-DEOSSOPVSA-N 1 0 455.668 4.198 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCc2cccc(C)n2)c(OC)c1 ZINC001300044051 1067485734 /nfs/dbraw/zinc/48/57/34/1067485734.db2.gz LWXFNLRFYZRFNF-UHFFFAOYSA-N 1 0 478.641 4.265 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300048105 1067502362 /nfs/dbraw/zinc/50/23/62/1067502362.db2.gz PIPWJVHWLFHIMU-INIZCTEOSA-N 1 0 460.420 4.355 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300050245 1067508312 /nfs/dbraw/zinc/50/83/12/1067508312.db2.gz NSIILBDNCTYHQQ-MSOLQXFVSA-N 1 0 475.540 4.340 20 0 JIADRO COc1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc(Cl)c1OCC(C)C ZINC001355567922 1067512376 /nfs/dbraw/zinc/51/23/76/1067512376.db2.gz PCWIBZHSBHQBDT-UHFFFAOYSA-N 1 0 453.023 4.396 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300051731 1067518244 /nfs/dbraw/zinc/51/82/44/1067518244.db2.gz OAZOVJKTSKANNQ-WAIKUNEKSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300053202 1067526097 /nfs/dbraw/zinc/52/60/97/1067526097.db2.gz HUCFRGHWOZAFNF-HXUWFJFHSA-N 1 0 481.645 4.432 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCC(C)(C)O)cc1 ZINC001300054053 1067529993 /nfs/dbraw/zinc/52/99/93/1067529993.db2.gz OIFSJRRBDGZGTI-OAQYLSRUSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001300054354 1067531866 /nfs/dbraw/zinc/53/18/66/1067531866.db2.gz TXMRELBOFPLXGN-GOSISDBHSA-N 1 0 451.537 4.464 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300054563 1067532840 /nfs/dbraw/zinc/53/28/40/1067532840.db2.gz YBPBSTROTGTLAQ-YADHBBJMSA-N 1 0 496.700 4.207 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001492582863 1067533949 /nfs/dbraw/zinc/53/39/49/1067533949.db2.gz WBPYMNXULKVGAP-AREMUKBSSA-N 1 0 494.728 4.429 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300055713 1067537590 /nfs/dbraw/zinc/53/75/90/1067537590.db2.gz ALTBQGKSUAYDOV-UHFFFAOYSA-N 1 0 450.425 4.435 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300055885 1067538379 /nfs/dbraw/zinc/53/83/79/1067538379.db2.gz CXTFHNQQFTXPAG-UXHICEINSA-N 1 0 493.530 4.397 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492583050 1067538871 /nfs/dbraw/zinc/53/88/71/1067538871.db2.gz BOHCYEBGOSJYKK-RBBKRZOGSA-N 1 0 479.591 4.457 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300056170 1067539898 /nfs/dbraw/zinc/53/98/98/1067539898.db2.gz MGKLARMSQRIBNB-JOCHJYFZSA-N 1 0 498.672 4.323 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300056410 1067541318 /nfs/dbraw/zinc/54/13/18/1067541318.db2.gz NUFBFOLFRGTISC-UNMCSNQZSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300056571 1067542063 /nfs/dbraw/zinc/54/20/63/1067542063.db2.gz LNXLBJBDWAHPKB-RXVVDRJESA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300056570 1067542280 /nfs/dbraw/zinc/54/22/80/1067542280.db2.gz LNXLBJBDWAHPKB-NQIIRXRSSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c(OC)c1 ZINC001300057086 1067543301 /nfs/dbraw/zinc/54/33/01/1067543301.db2.gz SENPBRIEBWHJJX-RBBKRZOGSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(CCNC(=S)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC001200077305 1067543672 /nfs/dbraw/zinc/54/36/72/1067543672.db2.gz ARQVAUXRCNBFSD-UHFFFAOYSA-N 1 0 467.679 4.499 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300057334 1067544699 /nfs/dbraw/zinc/54/46/99/1067544699.db2.gz SOUXUCFRPNIWRW-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COC(=O)c1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)n1C ZINC001355670134 1067548038 /nfs/dbraw/zinc/54/80/38/1067548038.db2.gz OXZUSISDEFETQJ-FQEVSTJZSA-N 1 0 454.398 4.347 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)cc1OC ZINC001200080624 1067558829 /nfs/dbraw/zinc/55/88/29/1067558829.db2.gz YJKCWRWNHONOMW-UHFFFAOYSA-N 1 0 462.059 4.371 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001492584364 1067561341 /nfs/dbraw/zinc/56/13/41/1067561341.db2.gz JHBTYYYIVKLCCN-DEOSSOPVSA-N 1 0 494.728 4.432 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300063036 1067571548 /nfs/dbraw/zinc/57/15/48/1067571548.db2.gz MWHIICFMMNLTIP-OUDXUNEISA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC2CCOCC2)c(OC)c1 ZINC001300063969 1067574422 /nfs/dbraw/zinc/57/44/22/1067574422.db2.gz YUDLWZUWIKKIPX-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3Cc3cccs3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001300065859 1067579286 /nfs/dbraw/zinc/57/92/86/1067579286.db2.gz VSFWZUZZHVSXGW-PKOBYXMFSA-N 1 0 455.628 4.185 20 0 JIADRO COc1ccc(OCC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1C ZINC001355799930 1067583347 /nfs/dbraw/zinc/58/33/47/1067583347.db2.gz LBTGHKULSNINHX-UHFFFAOYSA-N 1 0 459.590 4.339 20 0 JIADRO Cc1nc(CN2CCC(C[NH2+]Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)oc1C ZINC001200094823 1067597648 /nfs/dbraw/zinc/59/76/48/1067597648.db2.gz DWUDQCHYMJZGJB-UHFFFAOYSA-N 1 0 458.404 4.446 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC=CO2)cc1Br ZINC001300074828 1067598802 /nfs/dbraw/zinc/59/88/02/1067598802.db2.gz GYIVEIHRAXNFBP-LJQANCHMSA-N 1 0 490.446 4.187 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(SC)CC2)cc1OC ZINC001300075889 1067602518 /nfs/dbraw/zinc/60/25/18/1067602518.db2.gz QIXAZMJUWPYODP-UHFFFAOYSA-N 1 0 473.687 4.416 20 0 JIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c1 ZINC001355951927 1067616712 /nfs/dbraw/zinc/61/67/12/1067616712.db2.gz ROFQQKKAXRUIGW-UHFFFAOYSA-N 1 0 457.574 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300087600 1067633682 /nfs/dbraw/zinc/63/36/82/1067633682.db2.gz HYXGBUGFHDQTSY-LJQANCHMSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001300088777 1067638470 /nfs/dbraw/zinc/63/84/70/1067638470.db2.gz JRPGSDGKHOFVKL-SFHVURJKSA-N 1 0 480.451 4.060 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)c(OC)c1 ZINC001300089403 1067641024 /nfs/dbraw/zinc/64/10/24/1067641024.db2.gz RCHSVRQEBONTKX-ZRGWGRIASA-N 1 0 467.536 4.080 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300098556 1067666584 /nfs/dbraw/zinc/66/65/84/1067666584.db2.gz LSXCIGLTYKEKNV-HFMPRLQTSA-N 1 0 455.647 4.326 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300099228 1067669807 /nfs/dbraw/zinc/66/98/07/1067669807.db2.gz DIMFKNZEBBSHTF-DLBZAZTESA-N 1 0 489.462 4.309 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300099233 1067670178 /nfs/dbraw/zinc/67/01/78/1067670178.db2.gz DIMFKNZEBBSHTF-SJORKVTESA-N 1 0 489.462 4.309 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001300099271 1067670199 /nfs/dbraw/zinc/67/01/99/1067670199.db2.gz VLIRCLOIDHFESW-UPVQGACJSA-N 1 0 469.674 4.454 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300099553 1067671401 /nfs/dbraw/zinc/67/14/01/1067671401.db2.gz HOAOBHKMSZMKKW-RDPSFJRHSA-N 1 0 477.657 4.179 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC001356203746 1067690904 /nfs/dbraw/zinc/69/09/04/1067690904.db2.gz NRWIIJIIZXCXHE-OTNCWRBYSA-N 1 0 457.659 4.341 20 0 JIADRO CSc1cccc(N2C[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)CC2=O)c1 ZINC001356254175 1067707978 /nfs/dbraw/zinc/70/79/78/1067707978.db2.gz LMOYTJNKGNFNRA-KNQAVFIVSA-N 1 0 451.636 4.452 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cc(C)cs3)n2CC[NH+]2CCSCC2)cc1 ZINC001300112118 1067714092 /nfs/dbraw/zinc/71/40/92/1067714092.db2.gz YFMDAGDLMJDRDJ-UHFFFAOYSA-N 1 0 471.696 4.127 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC001356291442 1067717614 /nfs/dbraw/zinc/71/76/14/1067717614.db2.gz OBYZIIKRHOCXNJ-UYAOXDASSA-N 1 0 459.516 4.159 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300113768 1067719506 /nfs/dbraw/zinc/71/95/06/1067719506.db2.gz IIGPNHBRSWQSQG-VXKWHMMOSA-N 1 0 499.700 4.028 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(Br)cc1Cl ZINC001356304924 1067720507 /nfs/dbraw/zinc/72/05/07/1067720507.db2.gz MJZQHYMPCPSAKX-UHFFFAOYSA-N 1 0 450.808 4.321 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(C)n(C)c3ccc(OC)cc32)CC1 ZINC001356350967 1067732477 /nfs/dbraw/zinc/73/24/77/1067732477.db2.gz CJBKUEWRKVJEPI-KRWDZBQOSA-N 1 0 452.574 4.267 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001356353689 1067733879 /nfs/dbraw/zinc/73/38/79/1067733879.db2.gz BNTVYZDFAYAGGG-DNVFCKCGSA-N 1 0 453.583 4.235 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC=C(Br)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001300119557 1067734175 /nfs/dbraw/zinc/73/41/75/1067734175.db2.gz HYGBMNWRVMAFIW-KRWDZBQOSA-N 1 0 474.447 4.044 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001356354773 1067734321 /nfs/dbraw/zinc/73/43/21/1067734321.db2.gz KWDNOFBZJWFJIR-LGVFNWMJSA-N 1 0 451.611 4.416 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300119588 1067734244 /nfs/dbraw/zinc/73/42/44/1067734244.db2.gz ISCCWDUXIUPWMC-IUTQVRIDSA-N 1 0 469.674 4.242 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300120045 1067735964 /nfs/dbraw/zinc/73/59/64/1067735964.db2.gz DQJSWUNKRRAQQI-CUNXSJBXSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001300120488 1067737599 /nfs/dbraw/zinc/73/75/99/1067737599.db2.gz QWARSKFETSYFEY-GJZUVCINSA-N 1 0 469.674 4.100 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300124999 1067749250 /nfs/dbraw/zinc/74/92/50/1067749250.db2.gz BMAAAOKPODLVIZ-DHLKQENFSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300126239 1067752863 /nfs/dbraw/zinc/75/28/63/1067752863.db2.gz QLGWVSOQGAPDDW-JWQCQUIFSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(C)(C)C)cc1 ZINC001300127503 1067758772 /nfs/dbraw/zinc/75/87/72/1067758772.db2.gz QNXXJTBFSCCLLQ-HSZRJFAPSA-N 1 0 469.674 4.057 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)c2cccc(S(C)(=O)=O)c2)c1 ZINC001356490392 1067762783 /nfs/dbraw/zinc/76/27/83/1067762783.db2.gz DFAPUMLKZLYWBM-IZZNHLLZSA-N 1 0 462.615 4.277 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C[N@@H+]1Cc1ccccc1 ZINC001356501008 1067765283 /nfs/dbraw/zinc/76/52/83/1067765283.db2.gz ICCOKDNWOGBHIA-RLYAYYKLSA-N 1 0 455.643 4.441 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503762 1067765662 /nfs/dbraw/zinc/76/56/62/1067765662.db2.gz TULPLUIKNFGVQC-IQWFGDOHSA-N 1 0 472.427 4.339 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502160 1067765942 /nfs/dbraw/zinc/76/59/42/1067765942.db2.gz NJDZDKMSSBABBF-KSEOMHKRSA-N 1 0 451.636 4.178 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Br)c1 ZINC001352858493 1067768192 /nfs/dbraw/zinc/76/81/92/1067768192.db2.gz NCFVSQQBJRBYQS-UHFFFAOYSA-N 1 0 454.206 4.345 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccn(CCc2ccccc2)n1 ZINC001352860377 1067771651 /nfs/dbraw/zinc/77/16/51/1067771651.db2.gz AFWLTKXONFTQEN-UHFFFAOYSA-N 1 0 455.400 4.092 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001352868690 1067775623 /nfs/dbraw/zinc/77/56/23/1067775623.db2.gz LIUXAJAGDHVKRV-KITAHSCOSA-N 1 0 456.549 4.350 20 0 JIADRO Cc1ccc(NC(=S)N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(Br)c1 ZINC001200155688 1067777749 /nfs/dbraw/zinc/77/77/49/1067777749.db2.gz GZOVQKWVRJLDPG-WGSAOQKQSA-N 1 0 465.505 4.383 20 0 JIADRO Cc1ccc(NC(=S)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001200157964 1067782044 /nfs/dbraw/zinc/78/20/44/1067782044.db2.gz NGSZVTBCBREKTQ-UHFFFAOYSA-N 1 0 471.465 4.033 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001356611021 1067789790 /nfs/dbraw/zinc/78/97/90/1067789790.db2.gz AWKHVDHHNPEXCJ-HNNXBMFYSA-N 1 0 452.382 4.471 20 0 JIADRO CCOc1ccc(C2(CNC(=[NH2+])N3CCN(c4ccc(Cl)cc4)CC3)CCOCC2)cc1 ZINC000849063501 1067792853 /nfs/dbraw/zinc/79/28/53/1067792853.db2.gz JVPNWHNJDDIYBA-UHFFFAOYSA-N 1 0 457.018 4.133 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)c1 ZINC000849074755 1067797624 /nfs/dbraw/zinc/79/76/24/1067797624.db2.gz TXAXSIHDYLPQNG-UHFFFAOYSA-N 1 0 463.376 4.003 20 0 JIADRO Cc1c(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001352909957 1067798291 /nfs/dbraw/zinc/79/82/91/1067798291.db2.gz DUJHFBMKPVNEGI-OAHLLOKOSA-N 1 0 457.500 4.416 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(OC)c1 ZINC001300148362 1067802484 /nfs/dbraw/zinc/80/24/84/1067802484.db2.gz CBHPUHGXKPZZRZ-FQEVSTJZSA-N 1 0 469.674 4.437 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](C)C)cc1OC(F)F ZINC001300163740 1067820584 /nfs/dbraw/zinc/82/05/84/1067820584.db2.gz GRFBRRJQVOOLKQ-AWEZNQCLSA-N 1 0 480.947 4.190 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300163994 1067821068 /nfs/dbraw/zinc/82/10/68/1067821068.db2.gz GAKDMQDEUWAMJC-QFIPXVFZSA-N 1 0 452.578 4.245 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1nc(C)n(-c2ccccc2)n1)c1cccc(Br)c1 ZINC001357247934 1067824360 /nfs/dbraw/zinc/82/43/60/1067824360.db2.gz IFRGAUOHVLCOFF-UHFFFAOYSA-N 1 0 456.388 4.327 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001200194979 1067828114 /nfs/dbraw/zinc/82/81/14/1067828114.db2.gz MXOHMSFHUBSXCP-INIZCTEOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001300175215 1067834372 /nfs/dbraw/zinc/83/43/72/1067834372.db2.gz XICJYWIQZMURKX-JOCHJYFZSA-N 1 0 455.647 4.390 20 0 JIADRO CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001357344554 1067836815 /nfs/dbraw/zinc/83/68/15/1067836815.db2.gz AIWPJWRISCSQHC-UHFFFAOYSA-N 1 0 456.518 4.461 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300176710 1067837455 /nfs/dbraw/zinc/83/74/55/1067837455.db2.gz CVABJGNQWHWWCO-KRWDZBQOSA-N 1 0 472.634 4.150 20 0 JIADRO O=S(=O)(N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1)c1ccc(Cl)c2ccccc21 ZINC001200202310 1067837878 /nfs/dbraw/zinc/83/78/78/1067837878.db2.gz MUOZDVJCVMKATL-MXVIHJGJSA-N 1 0 462.059 4.110 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC001300178216 1067839100 /nfs/dbraw/zinc/83/91/00/1067839100.db2.gz ZPNBRMDEOZTGRD-QYBDOPJKSA-N 1 0 498.697 4.495 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300178913 1067840256 /nfs/dbraw/zinc/84/02/56/1067840256.db2.gz IFWGYLWTYRXUMX-KCVHQNEMSA-N 1 0 471.646 4.294 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300178915 1067840348 /nfs/dbraw/zinc/84/03/48/1067840348.db2.gz IFWGYLWTYRXUMX-WSNOQYBDSA-N 1 0 471.646 4.294 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300182775 1067845063 /nfs/dbraw/zinc/84/50/63/1067845063.db2.gz XNSFVUSDAGUHDJ-CCLHPLFOSA-N 1 0 487.689 4.102 20 0 JIADRO Cc1cc(I)ccc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001353056823 1067848006 /nfs/dbraw/zinc/84/80/06/1067848006.db2.gz BRDJODFDYSVWIZ-UHFFFAOYSA-N 1 0 452.336 4.111 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001200221198 1067861918 /nfs/dbraw/zinc/86/19/18/1067861918.db2.gz AUOIBTCHUVYKBY-TZIWHRDSSA-N 1 0 489.483 4.381 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492557899 1067873705 /nfs/dbraw/zinc/87/37/05/1067873705.db2.gz ARADJUPCHMCUJF-GOSISDBHSA-N 1 0 486.596 4.111 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001200234626 1067878567 /nfs/dbraw/zinc/87/85/67/1067878567.db2.gz YYXHRRNCVGQZLR-UHFFFAOYSA-N 1 0 454.478 4.491 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(F)c1 ZINC001300209961 1067880884 /nfs/dbraw/zinc/88/08/84/1067880884.db2.gz AWQBQXUKPHOFIK-NBGIEHNGSA-N 1 0 497.663 4.316 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)ccc21 ZINC001357638743 1067881135 /nfs/dbraw/zinc/88/11/35/1067881135.db2.gz TUJLDJKPWFNJJX-HXUWFJFHSA-N 1 0 450.558 4.422 20 0 JIADRO COc1ccc(-c2cncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)c2)c(C)c1 ZINC001357644081 1067881870 /nfs/dbraw/zinc/88/18/70/1067881870.db2.gz FSVCHWHVWZRNAW-FQEVSTJZSA-N 1 0 458.562 4.015 20 0 JIADRO COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c2ccccc2)cc1 ZINC001300212129 1067882216 /nfs/dbraw/zinc/88/22/16/1067882216.db2.gz CBJBUDIJVCOGQT-RUZDIDTESA-N 1 0 452.514 4.366 20 0 JIADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357730043 1067891901 /nfs/dbraw/zinc/89/19/01/1067891901.db2.gz NMOVMVUGLFYDHF-AWEZNQCLSA-N 1 0 456.274 4.420 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(F)(F)c3c(F)cccc3F)cc2)C[C@H]1C ZINC001357904736 1067936923 /nfs/dbraw/zinc/93/69/23/1067936923.db2.gz GSJQBUKNQRUTPM-IAGOWNOFSA-N 1 0 452.492 4.382 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492560283 1067947654 /nfs/dbraw/zinc/94/76/54/1067947654.db2.gz UEGXKERJWCXHGZ-GOTSBHOMSA-N 1 0 482.717 4.169 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001200286690 1067962764 /nfs/dbraw/zinc/96/27/64/1067962764.db2.gz IJEXKYGJLZOVAU-NRFANRHFSA-N 1 0 452.661 4.037 20 0 JIADRO CCCc1c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001357978475 1067968315 /nfs/dbraw/zinc/96/83/15/1067968315.db2.gz MCCDPHFJBBWIOH-UHFFFAOYSA-N 1 0 450.587 4.105 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001300250512 1067999789 /nfs/dbraw/zinc/99/97/89/1067999789.db2.gz AUFMBYVNOWXRED-RJGXRXQPSA-N 1 0 498.716 4.047 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 ZINC001358051093 1068004171 /nfs/dbraw/zinc/00/41/71/1068004171.db2.gz SYXBUGIOXOWNKZ-UHFFFAOYSA-N 1 0 459.472 4.420 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc2cc(Br)cnc2n1C ZINC001358077610 1068012335 /nfs/dbraw/zinc/01/23/35/1068012335.db2.gz OCFBSFIGMHRCGO-UHFFFAOYSA-N 1 0 459.413 4.445 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC001358086150 1068016055 /nfs/dbraw/zinc/01/60/55/1068016055.db2.gz VBMVENHYYDYJFX-VNQPRFMTSA-N 1 0 457.949 4.040 20 0 JIADRO CCOC(=O)N1[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[C@H]1c1ccc(C)o1 ZINC001358096197 1068018545 /nfs/dbraw/zinc/01/85/45/1068018545.db2.gz ZFIJEMXENIAETH-SFTDATJTSA-N 1 0 457.596 4.438 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCCC1)C[C@@H]2O ZINC001300260707 1068023366 /nfs/dbraw/zinc/02/33/66/1068023366.db2.gz KTDKIMVIMDIOQH-FQEVSTJZSA-N 1 0 485.673 4.202 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)c2C1 ZINC001358122131 1068024078 /nfs/dbraw/zinc/02/40/78/1068024078.db2.gz QBZFXKQNZXFHTD-DWXRJYCRSA-N 1 0 454.615 4.124 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300264526 1068033278 /nfs/dbraw/zinc/03/32/78/1068033278.db2.gz HTMRGCJEWADWPH-QZTJIDSGSA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300269378 1068045471 /nfs/dbraw/zinc/04/54/71/1068045471.db2.gz MCNOGWOLHZYFJB-YUMYIRISSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300270898 1068049749 /nfs/dbraw/zinc/04/97/49/1068049749.db2.gz IOXPWSMDHVUHNR-VWLOTQADSA-N 1 0 497.684 4.405 20 0 JIADRO Cc1ccc(N(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001473360293 1068058942 /nfs/dbraw/zinc/05/89/42/1068058942.db2.gz NHXYPODLOUVCRI-NBGIEHNGSA-N 1 0 452.620 4.177 20 0 JIADRO O=C(Cc1c[nH]c2cccc(Br)c12)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001353365011 1068063216 /nfs/dbraw/zinc/06/32/16/1068063216.db2.gz HCDLMJBTDVZCFN-UHFFFAOYSA-N 1 0 450.446 4.341 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300280714 1068071597 /nfs/dbraw/zinc/07/15/97/1068071597.db2.gz IDGMMHQHGCTMHO-FDDCHVKYSA-N 1 0 463.573 4.222 20 0 JIADRO CC(C)n1ncc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1Br ZINC001358365818 1068075450 /nfs/dbraw/zinc/07/54/50/1068075450.db2.gz RGZGGAPTVDSEHV-UHFFFAOYSA-N 1 0 452.372 4.148 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300282626 1068076744 /nfs/dbraw/zinc/07/67/44/1068076744.db2.gz PDBRVYNBUOECGO-GOSISDBHSA-N 1 0 451.562 4.078 20 0 JIADRO C[NH+](C)CCCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)C(c1ccccc1)c1ccccc1 ZINC001358373177 1068077432 /nfs/dbraw/zinc/07/74/32/1068077432.db2.gz NLZSDDMEZGAKET-UHFFFAOYSA-N 1 0 454.574 4.448 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438505 1068091051 /nfs/dbraw/zinc/09/10/51/1068091051.db2.gz KBLDKFNDVLQULM-DYVFJYSZSA-N 1 0 452.190 4.462 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001358439118 1068091613 /nfs/dbraw/zinc/09/16/13/1068091613.db2.gz RACCJXCIGXXNBW-PTJQVGQKSA-N 1 0 457.618 4.160 20 0 JIADRO CC[NH+](CC)CCN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cccc(Br)c1 ZINC001358456766 1068095633 /nfs/dbraw/zinc/09/56/33/1068095633.db2.gz JCZKVJFRCCKWFN-FCHUYYIVSA-N 1 0 451.405 4.246 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300295640 1068115205 /nfs/dbraw/zinc/11/52/05/1068115205.db2.gz FDDZZCUEOZJOEK-YADHBBJMSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1c(Cl)cccc1OCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001358501261 1068125291 /nfs/dbraw/zinc/12/52/91/1068125291.db2.gz UGKNVMPTYWZTMP-UHFFFAOYSA-N 1 0 450.970 4.383 20 0 JIADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)no1 ZINC000604193432 1068146178 /nfs/dbraw/zinc/14/61/78/1068146178.db2.gz VMFZPCAYFLMKKH-SFHVURJKSA-N 1 0 458.628 4.124 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nnc(-c2ccco2)s1 ZINC000510207671 1068157520 /nfs/dbraw/zinc/15/75/20/1068157520.db2.gz BNXRAHLDQYIHON-UHFFFAOYSA-N 1 0 480.516 4.151 20 0 JIADRO CCN(CCOC)c1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)n1 ZINC001473433778 1068159269 /nfs/dbraw/zinc/15/92/69/1068159269.db2.gz YIOKWNJPFHOQKC-UHFFFAOYSA-N 1 0 453.505 4.248 20 0 JIADRO Cc1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200346418 1068166055 /nfs/dbraw/zinc/16/60/55/1068166055.db2.gz MSULKXKJCLNTNG-MRXNPFEDSA-N 1 0 453.052 4.409 20 0 JIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001353484039 1068193826 /nfs/dbraw/zinc/19/38/26/1068193826.db2.gz VDVHQYJCYCTBMW-UHFFFAOYSA-N 1 0 454.571 4.099 20 0 JIADRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC001353486389 1068197938 /nfs/dbraw/zinc/19/79/38/1068197938.db2.gz LOWZFFGBEIFCQU-DEOSSOPVSA-N 1 0 452.639 4.379 20 0 JIADRO CC(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+]1CCC(C)CC1 ZINC001353501993 1068224286 /nfs/dbraw/zinc/22/42/86/1068224286.db2.gz SEPJZAHZSVFXIS-IBGZPJMESA-N 1 0 451.384 4.260 20 0 JIADRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200364654 1068253019 /nfs/dbraw/zinc/25/30/19/1068253019.db2.gz OIIUGZHPGJOEAB-CQSZACIVSA-N 1 0 450.370 4.494 20 0 JIADRO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000514503677 1068254410 /nfs/dbraw/zinc/25/44/10/1068254410.db2.gz QOQJQSCIVWIURX-UHFFFAOYSA-N 1 0 453.412 4.316 20 0 JIADRO C[C@@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)N(C)C(=O)OC(C)(C)C ZINC001200366120 1068259633 /nfs/dbraw/zinc/25/96/33/1068259633.db2.gz QZLQZSYMUIABQX-HNNXBMFYSA-N 1 0 454.637 4.171 20 0 JIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)cs2)cc1 ZINC001473597674 1068264081 /nfs/dbraw/zinc/26/40/81/1068264081.db2.gz MHNUPXILAYYUDQ-MOPGFXCFSA-N 1 0 458.628 4.414 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001300333262 1068288422 /nfs/dbraw/zinc/28/84/22/1068288422.db2.gz RAETVBFFGCDSAV-UHFFFAOYSA-N 1 0 479.673 4.047 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(CC(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC001300333455 1068290061 /nfs/dbraw/zinc/29/00/61/1068290061.db2.gz ANLZTNSWEMUAHT-DEOSSOPVSA-N 1 0 482.673 4.231 20 0 JIADRO C[N@H+](CCCNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)Cc1ccccc1 ZINC001353537860 1068302417 /nfs/dbraw/zinc/30/24/17/1068302417.db2.gz BVULMMVIMASBPO-NKFKGCMQSA-N 1 0 458.591 4.038 20 0 JIADRO COc1cccc([C@@H](Cn2c(C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335388 1068306317 /nfs/dbraw/zinc/30/63/17/1068306317.db2.gz RHZNBGCYRBPQDQ-ISKFKSNPSA-N 1 0 498.672 4.268 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)[NH+](C)C)c1 ZINC001300335263 1068306476 /nfs/dbraw/zinc/30/64/76/1068306476.db2.gz OXDWIOIRCOMWDE-QHCPKHFHSA-N 1 0 491.640 4.253 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccccc1Cl ZINC000519950673 1068318200 /nfs/dbraw/zinc/31/82/00/1068318200.db2.gz KYZNODPWPJIEDH-HXUWFJFHSA-N 1 0 461.994 4.080 20 0 JIADRO COC(=O)c1cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)ccc1C ZINC001353560009 1068323259 /nfs/dbraw/zinc/32/32/59/1068323259.db2.gz OOEZECZYJSDRPQ-UHFFFAOYSA-N 1 0 457.574 4.352 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300340550 1068323923 /nfs/dbraw/zinc/32/39/23/1068323923.db2.gz MQVOLMSQFHWKKY-NRFANRHFSA-N 1 0 474.531 4.108 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001300341799 1068329206 /nfs/dbraw/zinc/32/92/06/1068329206.db2.gz SLLPCOQGWRTZQT-FGZHOGPDSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)[NH+](C)C)c1 ZINC001300341934 1068329787 /nfs/dbraw/zinc/32/97/87/1068329787.db2.gz UPKGVLOHLKLIHM-MZKRTTBSSA-N 1 0 498.672 4.349 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000521747940 1068334705 /nfs/dbraw/zinc/33/47/05/1068334705.db2.gz DYQTZRKOKFMHPV-CALCHBBNSA-N 1 0 469.586 4.199 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC000522269969 1068338814 /nfs/dbraw/zinc/33/88/14/1068338814.db2.gz TWGURJMYHSEKNI-UHFFFAOYSA-N 1 0 475.500 4.025 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)n1 ZINC000522380434 1068340083 /nfs/dbraw/zinc/34/00/83/1068340083.db2.gz WBCUDLCWNAQOOI-NHTMILBNSA-N 1 0 459.594 4.010 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC000523063856 1068343036 /nfs/dbraw/zinc/34/30/36/1068343036.db2.gz UUWPKTDLILNIRE-UHFFFAOYSA-N 1 0 482.013 4.077 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001474154102 1068360886 /nfs/dbraw/zinc/36/08/86/1068360886.db2.gz NUDMPAWRWOMUIO-ZHHKINOHSA-N 1 0 466.569 4.390 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 ZINC000622340125 1068360998 /nfs/dbraw/zinc/36/09/98/1068360998.db2.gz OJQKJFWXYXTADG-LJQANCHMSA-N 1 0 476.600 4.169 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300350867 1068361467 /nfs/dbraw/zinc/36/14/67/1068361467.db2.gz ONEJPFPDNUNXGE-RTBURBONSA-N 1 0 452.603 4.255 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnccn3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001300351078 1068362448 /nfs/dbraw/zinc/36/24/48/1068362448.db2.gz XUDBWKJKQPPXLB-UHFFFAOYSA-N 1 0 463.630 4.138 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCCSC)n2CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001300353845 1068370663 /nfs/dbraw/zinc/37/06/63/1068370663.db2.gz SAKGHXIADPVSIZ-UHFFFAOYSA-N 1 0 466.655 4.455 20 0 JIADRO CCCc1nnc(NC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000503150635 1068382241 /nfs/dbraw/zinc/38/22/41/1068382241.db2.gz TZMKVSKAKMALKV-UHFFFAOYSA-N 1 0 450.612 4.135 20 0 JIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001353636663 1068388811 /nfs/dbraw/zinc/38/88/11/1068388811.db2.gz JQWIEHYQFWPURR-FQRUVTKNSA-N 1 0 453.558 4.079 20 0 JIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC001353637264 1068390050 /nfs/dbraw/zinc/39/00/50/1068390050.db2.gz RVUFOILEJXXQAF-TUPIDYKKSA-N 1 0 450.320 4.239 20 0 JIADRO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC001353667047 1068416187 /nfs/dbraw/zinc/41/61/87/1068416187.db2.gz KJRBPGDTLLOKAT-UHFFFAOYSA-N 1 0 456.546 4.277 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300375537 1068444576 /nfs/dbraw/zinc/44/45/76/1068444576.db2.gz DTEFWQAFNOZQRV-QFQXNSOFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001300377807 1068457705 /nfs/dbraw/zinc/45/77/05/1068457705.db2.gz LXUCIKZDTRQMTD-SFTDATJTSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300378983 1068462670 /nfs/dbraw/zinc/46/26/70/1068462670.db2.gz QXQNQEVEKYYFLY-JYFHCDHNSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](Cc4noc(C)n4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300378973 1068462725 /nfs/dbraw/zinc/46/27/25/1068462725.db2.gz QUMAHOIJBNOHJT-IRLDBZIGSA-N 1 0 481.645 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC[C@@H](C)C2)c1 ZINC001300389513 1068501378 /nfs/dbraw/zinc/50/13/78/1068501378.db2.gz PLLHVOUNYQXILZ-UXHICEINSA-N 1 0 495.590 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(Cl)s2)c1 ZINC001300389860 1068503206 /nfs/dbraw/zinc/50/32/06/1068503206.db2.gz SKKNRNFASISDGD-UHFFFAOYSA-N 1 0 476.046 4.264 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2C[C@@H](OC)C(C)C)c1 ZINC001300390273 1068504819 /nfs/dbraw/zinc/50/48/19/1068504819.db2.gz VXWMSEKYBFJCIS-HSZRJFAPSA-N 1 0 469.655 4.051 20 0 JIADRO COc1ccc(CN(C(=S)NCC[NH+]2CCCCC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001200428752 1068506439 /nfs/dbraw/zinc/50/64/39/1068506439.db2.gz RBEDHTCCBPUHTI-UHFFFAOYSA-N 1 0 490.714 4.257 20 0 JIADRO FC(F)(F)c1cc(NC(=S)NCC[NH+]2CCCCC2)ccc1I ZINC001200432135 1068520724 /nfs/dbraw/zinc/52/07/24/1068520724.db2.gz DTCUDBUYMFOEIA-UHFFFAOYSA-N 1 0 457.303 4.082 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(COc2ccccc2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200433580 1068531460 /nfs/dbraw/zinc/53/14/60/1068531460.db2.gz SDTNVJZTUMXQDZ-UHFFFAOYSA-N 1 0 476.687 4.485 20 0 JIADRO Fc1c(F)c(Br)c(NC(=S)NCC[NH+]2CCCCC2)c(F)c1Br ZINC001200433950 1068534333 /nfs/dbraw/zinc/53/43/33/1068534333.db2.gz YNLUEPLLXRCRHH-UHFFFAOYSA-N 1 0 475.172 4.401 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(-c3ccc(Cl)nc3)n2CCOCC[NH+](C)C)c1 ZINC001300399644 1068551135 /nfs/dbraw/zinc/55/11/35/1068551135.db2.gz IDVLYSVASORCPV-GCJKJVERSA-N 1 0 485.032 4.168 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406734 1068573983 /nfs/dbraw/zinc/57/39/83/1068573983.db2.gz ITZRFOIRRZSPOY-VWNXMTODSA-N 1 0 498.697 4.197 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CCO2)c1 ZINC001300406694 1068574226 /nfs/dbraw/zinc/57/42/26/1068574226.db2.gz IICRPVZBYJRYHO-REWPJTCUSA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001300418307 1068621316 /nfs/dbraw/zinc/62/13/16/1068621316.db2.gz VEWLMSVXQRXMIO-QHCPKHFHSA-N 1 0 471.646 4.054 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300420701 1068633409 /nfs/dbraw/zinc/63/34/09/1068633409.db2.gz HNULRJCZUCTTBP-RBUKOAKNSA-N 1 0 468.671 4.399 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300420898 1068635373 /nfs/dbraw/zinc/63/53/73/1068635373.db2.gz NDUKOIRPZBJLQK-SFHVURJKSA-N 1 0 454.644 4.011 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300427155 1068663526 /nfs/dbraw/zinc/66/35/26/1068663526.db2.gz VDBUZUYVFWEBFH-HKTJVKLFSA-N 1 0 499.700 4.341 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300427383 1068664555 /nfs/dbraw/zinc/66/45/55/1068664555.db2.gz XXCITFSDBXNXOO-GCJKJVERSA-N 1 0 485.032 4.138 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300427386 1068665372 /nfs/dbraw/zinc/66/53/72/1068665372.db2.gz XXCITFSDBXNXOO-XMSQKQJNSA-N 1 0 485.032 4.138 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccccc2)cc1Br ZINC001353857536 1068674811 /nfs/dbraw/zinc/67/48/11/1068674811.db2.gz YTLYODNUPQORSW-GOSISDBHSA-N 1 0 453.384 4.371 20 0 JIADRO C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436698 1068699590 /nfs/dbraw/zinc/69/95/90/1068699590.db2.gz XDZSTAPXVQSRNS-YFNKSVMNSA-N 1 0 457.659 4.435 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001300442542 1068723390 /nfs/dbraw/zinc/72/33/90/1068723390.db2.gz KNBOCZIIGPTOMJ-UHFFFAOYSA-N 1 0 454.663 4.033 20 0 JIADRO CC[C@H](C)NC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491279 1068733771 /nfs/dbraw/zinc/73/37/71/1068733771.db2.gz HEQZKSOYXMZHAO-UNMCSNQZSA-N 1 0 474.715 4.398 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC001353907088 1068740291 /nfs/dbraw/zinc/74/02/91/1068740291.db2.gz WFEGGMHYEKAROK-GUXZUNJZSA-N 1 0 460.643 4.141 20 0 JIADRO COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccco1)[NH+]1CCCC1 ZINC001300457048 1068779420 /nfs/dbraw/zinc/77/94/20/1068779420.db2.gz ZCXACHCOJSMSQH-CTNGQTDRSA-N 1 0 480.613 4.052 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001492565735 1068797695 /nfs/dbraw/zinc/79/76/95/1068797695.db2.gz IAWNWJVQHRHMLX-QFIPXVFZSA-N 1 0 466.674 4.261 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001353961523 1068802719 /nfs/dbraw/zinc/80/27/19/1068802719.db2.gz RDGPDYARNJAHMQ-RTWAWAEBSA-N 1 0 454.442 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300478942 1068830968 /nfs/dbraw/zinc/83/09/68/1068830968.db2.gz NKAGFWUYHHAMLT-DSKINZAPSA-N 1 0 481.563 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300481115 1068835137 /nfs/dbraw/zinc/83/51/37/1068835137.db2.gz LRWBGBUICVNQSZ-HFMPRLQTSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300481183 1068835234 /nfs/dbraw/zinc/83/52/34/1068835234.db2.gz HYCBWUDWVIUGPI-JOCHJYFZSA-N 1 0 467.658 4.373 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300482202 1068837593 /nfs/dbraw/zinc/83/75/93/1068837593.db2.gz LJVQIUKQTBHGEQ-LEWJYISDSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300485517 1068844684 /nfs/dbraw/zinc/84/46/84/1068844684.db2.gz YQOIIQFJPIWWPV-BORKOYIJSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC1CCOCC1 ZINC001300486223 1068846683 /nfs/dbraw/zinc/84/66/83/1068846683.db2.gz TVUJAAMMNFQSCE-UHFFFAOYSA-N 1 0 455.647 4.327 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001200542331 1068858882 /nfs/dbraw/zinc/85/88/82/1068858882.db2.gz KKOKDZYWYJIMKZ-RGZAKNEDSA-N 1 0 457.640 4.099 20 0 JIADRO NC(=O)COc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001354043610 1068860047 /nfs/dbraw/zinc/86/00/47/1068860047.db2.gz FWTFIJUXMDRYSW-BJKOFHAPSA-N 1 0 464.949 4.025 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCOC(C)C ZINC001300495315 1068863719 /nfs/dbraw/zinc/86/37/19/1068863719.db2.gz BEBJZJNNUABFPR-QFIPXVFZSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300496235 1068864475 /nfs/dbraw/zinc/86/44/75/1068864475.db2.gz GFVXNWMACBVLRG-ATIYNZHBSA-N 1 0 455.647 4.470 20 0 JIADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001200549830 1068870625 /nfs/dbraw/zinc/87/06/25/1068870625.db2.gz RDTYEWNSKFBTFP-KRWDZBQOSA-N 1 0 457.880 4.169 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001300513376 1068893901 /nfs/dbraw/zinc/89/39/01/1068893901.db2.gz LTWFAJWZCZYXDC-SANMLTNESA-N 1 0 483.682 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[C@H]1C ZINC001300513774 1068894806 /nfs/dbraw/zinc/89/48/06/1068894806.db2.gz QBEXNFDSPQDYHM-UXHICEINSA-N 1 0 495.590 4.481 20 0 JIADRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001472262645 1068917996 /nfs/dbraw/zinc/91/79/96/1068917996.db2.gz ATSOCEITIXLMDB-QGZVFWFLSA-N 1 0 456.425 4.061 20 0 JIADRO COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001354134043 1068920591 /nfs/dbraw/zinc/92/05/91/1068920591.db2.gz MDJQTGBIDBMEDY-UHFFFAOYSA-N 1 0 457.596 4.493 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300528263 1068933169 /nfs/dbraw/zinc/93/31/69/1068933169.db2.gz CYGZOEBWCXWHNW-FQEVSTJZSA-N 1 0 463.630 4.076 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300528614 1068933796 /nfs/dbraw/zinc/93/37/96/1068933796.db2.gz FAJOOXBVYCBWRD-FDFHNCONSA-N 1 0 471.690 4.440 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300531127 1068942569 /nfs/dbraw/zinc/94/25/69/1068942569.db2.gz VRFZMRPDFJUQSV-BUEREQSYSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300536935 1068959503 /nfs/dbraw/zinc/95/95/03/1068959503.db2.gz LKKJNVQWDCJAPZ-HXUWFJFHSA-N 1 0 479.673 4.066 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(-c2ccsc2)s1 ZINC000504020370 1068960458 /nfs/dbraw/zinc/96/04/58/1068960458.db2.gz LNXMLXVYGJCDQY-UHFFFAOYSA-N 1 0 463.032 4.254 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300539391 1068965840 /nfs/dbraw/zinc/96/58/40/1068965840.db2.gz DQTLHCNMQJDCDJ-SIKLNZKXSA-N 1 0 469.655 4.105 20 0 JIADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001354200646 1068973073 /nfs/dbraw/zinc/97/30/73/1068973073.db2.gz PLRSSUXZYAOJQT-UHFFFAOYSA-N 1 0 457.294 4.175 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300542038 1068975219 /nfs/dbraw/zinc/97/52/19/1068975219.db2.gz LVEJPWWQFQWTAD-JIPXPUAJSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300542039 1068975460 /nfs/dbraw/zinc/97/54/60/1068975460.db2.gz LVEJPWWQFQWTAD-KDYSTLNUSA-N 1 0 469.674 4.251 20 0 JIADRO O=C(NCC[NH2+][C@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC001474625559 1068975543 /nfs/dbraw/zinc/97/55/43/1068975543.db2.gz NGVBJYPRDFLNGL-YOEHRIQHSA-N 1 0 456.306 4.307 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001492568713 1068977746 /nfs/dbraw/zinc/97/77/46/1068977746.db2.gz XAYZQWWGVJTFKM-UYAOXDASSA-N 1 0 476.547 4.222 20 0 JIADRO C[C@]12CC[N@H+](Cc3cn4ccc(Br)cc4n3)C[C@H]1C2(Br)Br ZINC001474625901 1068978352 /nfs/dbraw/zinc/97/83/52/1068978352.db2.gz QZVRRGOTXBBKFV-OCCSQVGLSA-N 1 0 478.026 4.425 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300548542 1068991485 /nfs/dbraw/zinc/99/14/85/1068991485.db2.gz NTZIJISCWOTHFJ-NQIIRXRSSA-N 1 0 495.590 4.298 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492586358 1069002320 /nfs/dbraw/zinc/00/23/20/1069002320.db2.gz DYAZDRTUFSLRQQ-UHFFFAOYSA-N 1 0 484.689 4.401 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492586353 1069002562 /nfs/dbraw/zinc/00/25/62/1069002562.db2.gz DWMSAXRUOWHDDS-VXKWHMMOSA-N 1 0 482.673 4.107 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492586734 1069004956 /nfs/dbraw/zinc/00/49/56/1069004956.db2.gz REHUEDYRBAHBNP-DEOSSOPVSA-N 1 0 496.700 4.212 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](C)c1ncc(C)s1 ZINC001300557640 1069018015 /nfs/dbraw/zinc/01/80/15/1069018015.db2.gz NNLKSPXTNFELBI-SFHVURJKSA-N 1 0 468.671 4.413 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492587443 1069024730 /nfs/dbraw/zinc/02/47/30/1069024730.db2.gz PZVOKIATRCWGNJ-OAQYLSRUSA-N 1 0 496.700 4.355 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@H](C)OC ZINC001300560775 1069029104 /nfs/dbraw/zinc/02/91/04/1069029104.db2.gz BRSNADIFOIEZRS-BHDDXSALSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCSCC(F)(F)F ZINC001492588408 1069034109 /nfs/dbraw/zinc/03/41/09/1069034109.db2.gz QDUFTBQUDHRXLG-LJQANCHMSA-N 1 0 453.578 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300562331 1069036689 /nfs/dbraw/zinc/03/66/89/1069036689.db2.gz JKBUZFBDHMONBN-NVQXNPDNSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492589192 1069036860 /nfs/dbraw/zinc/03/68/60/1069036860.db2.gz NCWBFLWYMVESTL-VLOWTAQSSA-N 1 0 453.675 4.143 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300563129 1069039945 /nfs/dbraw/zinc/03/99/45/1069039945.db2.gz NAUUNECCRDVUSW-YIXXDRMTSA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001492590589 1069040647 /nfs/dbraw/zinc/04/06/47/1069040647.db2.gz OWJPMFHDZRPJDH-UHFFFAOYSA-N 1 0 494.728 4.236 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001492589680 1069042986 /nfs/dbraw/zinc/04/29/86/1069042986.db2.gz ZTMKATRKFHJEPG-XMMPIXPASA-N 1 0 496.700 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482822 1069051908 /nfs/dbraw/zinc/05/19/08/1069051908.db2.gz TVRLXJFWLWHEOA-RTWAWAEBSA-N 1 0 451.640 4.250 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487878 1069053787 /nfs/dbraw/zinc/05/37/87/1069053787.db2.gz ATRHZMPKXVDHCW-RTBURBONSA-N 1 0 463.529 4.160 20 0 JIADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849487681 1069054592 /nfs/dbraw/zinc/05/45/92/1069054592.db2.gz MFKGWURRQMVLSE-MSOLQXFVSA-N 1 0 480.440 4.028 20 0 JIADRO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1NC(=O)Nc1ccccc1 ZINC001300566293 1069056091 /nfs/dbraw/zinc/05/60/91/1069056091.db2.gz FAARPSCRZAMEFX-DEOSSOPVSA-N 1 0 458.562 4.136 20 0 JIADRO CC(=O)c1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489875 1069056411 /nfs/dbraw/zinc/05/64/11/1069056411.db2.gz SYPNQPATTWENDN-VQTJNVASSA-N 1 0 451.596 4.199 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H]2CSC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300566396 1069057174 /nfs/dbraw/zinc/05/71/74/1069057174.db2.gz ACECXGLNTDDKNF-VWPQPMDRSA-N 1 0 487.714 4.097 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000504135484 1069057226 /nfs/dbraw/zinc/05/72/26/1069057226.db2.gz KKBFSFOPDCFZPC-UHFFFAOYSA-N 1 0 451.596 4.171 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849489746 1069057545 /nfs/dbraw/zinc/05/75/45/1069057545.db2.gz LCDKZXYCFLTDEU-ZEQRLZLVSA-N 1 0 475.641 4.248 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@H](c2cnn(C)c2)C1 ZINC000849490826 1069058513 /nfs/dbraw/zinc/05/85/13/1069058513.db2.gz PULAYBHYCGLILL-UXHICEINSA-N 1 0 463.607 4.420 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492149 1069059595 /nfs/dbraw/zinc/05/95/95/1069059595.db2.gz VSSMNSRHVPTDDN-TZIWHRDSSA-N 1 0 497.393 4.076 20 0 JIADRO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849493234 1069061567 /nfs/dbraw/zinc/06/15/67/1069061567.db2.gz ITGWQUKVIWLGCX-BAURHKQJSA-N 1 0 473.621 4.204 20 0 JIADRO COc1cc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492445 1069062667 /nfs/dbraw/zinc/06/26/67/1069062667.db2.gz WZRUIGFZXCSCHO-NHCUHLMSSA-N 1 0 476.568 4.035 20 0 JIADRO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)n1 ZINC000849494297 1069063865 /nfs/dbraw/zinc/06/38/65/1069063865.db2.gz SNWFFOXJOAFQSC-DHIUTWEWSA-N 1 0 464.639 4.431 20 0 JIADRO COc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849493797 1069064601 /nfs/dbraw/zinc/06/46/01/1069064601.db2.gz ZVCAEEHJVSXGRS-CVEARBPZSA-N 1 0 469.811 4.297 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@@H](c2cnn(C)c2)C1 ZINC000849496505 1069069349 /nfs/dbraw/zinc/06/93/49/1069069349.db2.gz KPTQDKZVZIUVFG-RTBURBONSA-N 1 0 469.973 4.371 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499305 1069069448 /nfs/dbraw/zinc/06/94/48/1069069448.db2.gz VDXRKXZATNJCRW-RPWUZVMVSA-N 1 0 498.096 4.182 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849500145 1069072193 /nfs/dbraw/zinc/07/21/93/1069072193.db2.gz GRFOWMFEZDAYAC-SXOMAYOGSA-N 1 0 460.622 4.172 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849500119 1069072213 /nfs/dbraw/zinc/07/22/13/1069072213.db2.gz GPSGSVKXEJRZFD-BJKOFHAPSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849501500 1069073989 /nfs/dbraw/zinc/07/39/89/1069073989.db2.gz MVLDUYFSJVQFMD-SFTDATJTSA-N 1 0 470.017 4.435 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cn1 ZINC000849503460 1069079504 /nfs/dbraw/zinc/07/95/04/1069079504.db2.gz YAAKRTSLGZJCCM-SJORKVTESA-N 1 0 481.519 4.460 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849503864 1069082321 /nfs/dbraw/zinc/08/23/21/1069082321.db2.gz LZZARQFVIFHTJF-FTJBHMTQSA-N 1 0 473.621 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849505365 1069084082 /nfs/dbraw/zinc/08/40/82/1069084082.db2.gz SEFPZGZKGZCCNG-GKBBYZSKSA-N 1 0 461.610 4.085 20 0 JIADRO CCOc1cc(Br)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OCC ZINC000849504697 1069084156 /nfs/dbraw/zinc/08/41/56/1069084156.db2.gz DMPHOECCUDKIBH-ROUUACIJSA-N 1 0 493.446 4.433 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849505948 1069086144 /nfs/dbraw/zinc/08/61/44/1069086144.db2.gz KRHQLONKQASURM-CLJLJLNGSA-N 1 0 473.621 4.111 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C2CCC(C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001492574819 1069086155 /nfs/dbraw/zinc/08/61/55/1069086155.db2.gz AVYWAWBAYSPWON-UHFFFAOYSA-N 1 0 466.718 4.466 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CSCCS1 ZINC001300572952 1069086260 /nfs/dbraw/zinc/08/62/60/1069086260.db2.gz CISGKHXSKGFKIP-OAQYLSRUSA-N 1 0 489.755 4.284 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849505949 1069086316 /nfs/dbraw/zinc/08/63/16/1069086316.db2.gz KRHQLONKQASURM-FTJBHMTQSA-N 1 0 473.621 4.111 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849507757 1069088959 /nfs/dbraw/zinc/08/89/59/1069088959.db2.gz SNJQQQCOTPFOPR-RTBURBONSA-N 1 0 469.973 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510215 1069090720 /nfs/dbraw/zinc/09/07/20/1069090720.db2.gz PHRWHBAZMDBFSG-NHCUHLMSSA-N 1 0 459.432 4.192 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCC=C(C)C ZINC001300574375 1069093206 /nfs/dbraw/zinc/09/32/06/1069093206.db2.gz WOOIJAZNKKJOBR-DNQXCXABSA-N 1 0 480.701 4.229 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001300574404 1069093680 /nfs/dbraw/zinc/09/36/80/1069093680.db2.gz WYJAOQYOXTTWGC-QFIPXVFZSA-N 1 0 457.688 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513181 1069096934 /nfs/dbraw/zinc/09/69/34/1069096934.db2.gz AOLXCRBHSKYGII-ZEQRLZLVSA-N 1 0 462.642 4.415 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514173 1069098032 /nfs/dbraw/zinc/09/80/32/1069098032.db2.gz AEZWEHRWODGAJE-UIOOFZCWSA-N 1 0 463.601 4.040 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515380 1069098694 /nfs/dbraw/zinc/09/86/94/1069098694.db2.gz GEQRPXUTQCILPC-IAGOWNOFSA-N 1 0 480.922 4.260 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849514534 1069098796 /nfs/dbraw/zinc/09/87/96/1069098796.db2.gz CCATVOIKBSMVLJ-MOPGFXCFSA-N 1 0 459.566 4.359 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000849515000 1069098976 /nfs/dbraw/zinc/09/89/76/1069098976.db2.gz KHTOCGRIXYUKIV-LEWJYISDSA-N 1 0 466.548 4.356 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849514536 1069099168 /nfs/dbraw/zinc/09/91/68/1069099168.db2.gz CCATVOIKBSMVLJ-RBUKOAKNSA-N 1 0 459.566 4.359 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515385 1069099230 /nfs/dbraw/zinc/09/92/30/1069099230.db2.gz GEQRPXUTQCILPC-IRXDYDNUSA-N 1 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4.005 20 0 JIADRO CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849519500 1069111266 /nfs/dbraw/zinc/11/12/66/1069111266.db2.gz JUOKYSJPQNSOQC-ROUUACIJSA-N 1 0 499.965 4.003 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519823 1069112777 /nfs/dbraw/zinc/11/27/77/1069112777.db2.gz UAZFQMWDERPAEC-SXOMAYOGSA-N 1 0 499.659 4.395 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522710 1069116629 /nfs/dbraw/zinc/11/66/29/1069116629.db2.gz NOURWTFEMNHDFU-PMACEKPBSA-N 1 0 459.472 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525934 1069121624 /nfs/dbraw/zinc/12/16/24/1069121624.db2.gz PRDIUZXAXRTXKC-BJKOFHAPSA-N 1 0 466.626 4.324 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526072 1069123412 /nfs/dbraw/zinc/12/34/12/1069123412.db2.gz UEUHWZXAOZYVHM-PZJWPPBQSA-N 1 0 490.583 4.218 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849529318 1069130148 /nfs/dbraw/zinc/13/01/48/1069130148.db2.gz ZEPGLURGCJXDRM-ROUUACIJSA-N 1 0 489.443 4.154 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534678 1069151672 /nfs/dbraw/zinc/15/16/72/1069151672.db2.gz LPSVKZRKFGISPU-UKILVPOCSA-N 1 0 450.627 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849547164 1069183847 /nfs/dbraw/zinc/18/38/47/1069183847.db2.gz FVTQMRCKSYVAEN-PKTZIBPZSA-N 1 0 481.641 4.166 20 0 JIADRO CCCCOCCN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548568 1069188041 /nfs/dbraw/zinc/18/80/41/1069188041.db2.gz NAJPFBJSLZGHMM-VXKWHMMOSA-N 1 0 477.447 4.068 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548513 1069188325 /nfs/dbraw/zinc/18/83/25/1069188325.db2.gz NZFZXEZUGDVFFT-RTBURBONSA-N 1 0 459.472 4.300 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551692 1069195060 /nfs/dbraw/zinc/19/50/60/1069195060.db2.gz BLMRIVCPHQNOIS-NYDSKATKSA-N 1 0 458.940 4.293 20 0 JIADRO Cc1cc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554370 1069196217 /nfs/dbraw/zinc/19/62/17/1069196217.db2.gz MNGVJUHOUBFICE-IZIIKQMZSA-N 1 0 454.977 4.462 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554166 1069197237 /nfs/dbraw/zinc/19/72/37/1069197237.db2.gz UZLSIKRBZZAAPQ-VQTJNVASSA-N 1 0 458.488 4.252 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849553651 1069197920 /nfs/dbraw/zinc/19/79/20/1069197920.db2.gz KAKLPNOLMXOBFC-FGZHOGPDSA-N 1 0 456.587 4.211 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553825 1069198551 /nfs/dbraw/zinc/19/85/51/1069198551.db2.gz TUJHGNAHGLJINP-SSPYTLHUSA-N 1 0 452.986 4.023 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849553650 1069198566 /nfs/dbraw/zinc/19/85/66/1069198566.db2.gz KAKLPNOLMXOBFC-FCHUYYIVSA-N 1 0 456.587 4.211 20 0 JIADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849556080 1069202392 /nfs/dbraw/zinc/20/23/92/1069202392.db2.gz VHWTYSJDEPJNHR-QKDODKLFSA-N 1 0 460.622 4.181 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849558715 1069206890 /nfs/dbraw/zinc/20/68/90/1069206890.db2.gz PPOPEFISKJXCKK-PZJWPPBQSA-N 1 0 467.614 4.170 20 0 JIADRO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849560958 1069210677 /nfs/dbraw/zinc/21/06/77/1069210677.db2.gz CLABSGLRVNVNHK-RPWUZVMVSA-N 1 0 490.604 4.238 20 0 JIADRO CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849562908 1069213489 /nfs/dbraw/zinc/21/34/89/1069213489.db2.gz HLCWGLZOOGGBJM-RBUKOAKNSA-N 1 0 463.420 4.422 20 0 JIADRO COc1ccc(Oc2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569040 1069220026 /nfs/dbraw/zinc/22/00/26/1069220026.db2.gz RGPKGUQOLCOYJU-SVBPBHIXSA-N 1 0 476.621 4.394 20 0 JIADRO CCCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570718 1069223013 /nfs/dbraw/zinc/22/30/13/1069223013.db2.gz ASTWBFHCHBUKMR-FCHUYYIVSA-N 1 0 452.578 4.150 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000849575307 1069226526 /nfs/dbraw/zinc/22/65/26/1069226526.db2.gz JVWGCOASWIYCEX-KMDXXIMOSA-N 1 0 486.538 4.389 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849575077 1069226943 /nfs/dbraw/zinc/22/69/43/1069226943.db2.gz BLFYGCCPCZRMPC-FKBYEOEOSA-N 1 0 475.033 4.474 20 0 JIADRO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849575269 1069227021 /nfs/dbraw/zinc/22/70/21/1069227021.db2.gz JTGHUEVCZPAVQE-UXHICEINSA-N 1 0 493.446 4.051 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300617072 1069232466 /nfs/dbraw/zinc/23/24/66/1069232466.db2.gz ZKDOBCCPYHBXKF-JOCHJYFZSA-N 1 0 468.690 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849582181 1069233135 /nfs/dbraw/zinc/23/31/35/1069233135.db2.gz LORFNBYNPHVOTK-IRXDYDNUSA-N 1 0 465.823 4.239 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849582180 1069233460 /nfs/dbraw/zinc/23/34/60/1069233460.db2.gz LORFNBYNPHVOTK-IAGOWNOFSA-N 1 0 465.823 4.239 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849582544 1069234080 /nfs/dbraw/zinc/23/40/80/1069234080.db2.gz NUNIOPDAYRSJOA-FGZHOGPDSA-N 1 0 478.559 4.075 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849583824 1069235478 /nfs/dbraw/zinc/23/54/78/1069235478.db2.gz VHUTZIBBTQRZME-XZOQPEGZSA-N 1 0 473.459 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849589037 1069240388 /nfs/dbraw/zinc/24/03/88/1069240388.db2.gz UYWIFGXTVKUPFP-QNWVGRARSA-N 1 0 466.523 4.350 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849588672 1069240643 /nfs/dbraw/zinc/24/06/43/1069240643.db2.gz MXMWVPHHYYMNSO-NVXWUHKLSA-N 1 0 462.982 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)[C@H](c2cnn(C)c2)C1 ZINC000849592165 1069243588 /nfs/dbraw/zinc/24/35/88/1069243588.db2.gz JLMKFFJJHQVHQL-VSQYNUGQSA-N 1 0 491.602 4.379 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849591680 1069244260 /nfs/dbraw/zinc/24/42/60/1069244260.db2.gz KIVLMEDDUYEXGL-FGZHOGPDSA-N 1 0 499.631 4.305 20 0 JIADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001354473328 1069245008 /nfs/dbraw/zinc/24/50/08/1069245008.db2.gz IJHQVIDWMCHWMD-VWLOTQADSA-N 1 0 451.611 4.151 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300622812 1069248933 /nfs/dbraw/zinc/24/89/33/1069248933.db2.gz MHGVFOMDPMXNCG-JTHBVZDNSA-N 1 0 455.647 4.403 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000849595757 1069250217 /nfs/dbraw/zinc/25/02/17/1069250217.db2.gz KWQSIBKHGPDFIL-ZVDOUQERSA-N 1 0 450.549 4.248 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598495 1069253232 /nfs/dbraw/zinc/25/32/32/1069253232.db2.gz ZZVGBNACGFJYPY-OALUTQOASA-N 1 0 493.877 4.498 20 0 JIADRO CC[C@H](C)n1c2ccc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599097 1069255305 /nfs/dbraw/zinc/25/53/05/1069255305.db2.gz KQTDMVGOCBDXOG-JCGIZDLHSA-N 1 0 462.520 4.434 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607632 1069266014 /nfs/dbraw/zinc/26/60/14/1069266014.db2.gz XJUVHCOGNDBRMX-VQTJNVASSA-N 1 0 454.962 4.108 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@@H](c2cnn(C)c2)C1 ZINC000849612038 1069273472 /nfs/dbraw/zinc/27/34/72/1069273472.db2.gz FLVMSZSNPNCRMQ-NVXWUHKLSA-N 1 0 478.544 4.410 20 0 JIADRO CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849611963 1069273716 /nfs/dbraw/zinc/27/37/16/1069273716.db2.gz CTKAVQFJBVFKHX-HZPDHXFCSA-N 1 0 462.417 4.029 20 0 JIADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001354513118 1069282423 /nfs/dbraw/zinc/28/24/23/1069282423.db2.gz AGEQNEHYRRCIQO-KWOQKUFVSA-N 1 0 457.977 4.294 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300637901 1069295885 /nfs/dbraw/zinc/29/58/85/1069295885.db2.gz DBBKGZPGWCXNMQ-HFMPRLQTSA-N 1 0 499.700 4.483 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300639179 1069301421 /nfs/dbraw/zinc/30/14/21/1069301421.db2.gz INEPXWSSVZUZLT-LEWJYISDSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC(C)(C)SC ZINC001300640617 1069306438 /nfs/dbraw/zinc/30/64/38/1069306438.db2.gz XOCNMGBXCPPZRQ-FQEVSTJZSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC=C(C(F)(F)F)CC2)n1CC[NH+]1CCCCCC1 ZINC001300641653 1069308674 /nfs/dbraw/zinc/30/86/74/1069308674.db2.gz VPCYHFUNENMSFQ-UHFFFAOYSA-N 1 0 479.547 4.441 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001300641747 1069309346 /nfs/dbraw/zinc/30/93/46/1069309346.db2.gz HRBKXXFUQVOROW-QFQXNSOFSA-N 1 0 485.673 4.284 20 0 JIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164426115 718918869 /nfs/dbraw/zinc/91/88/69/718918869.db2.gz WPKYRAXSBQDBAX-QFIPXVFZSA-N 1 0 466.960 4.051 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164619327 719011101 /nfs/dbraw/zinc/01/11/01/719011101.db2.gz VRJZDECVSAJNFR-HYBUGGRVSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC2)CC1 ZINC001164616529 719032312 /nfs/dbraw/zinc/03/23/12/719032312.db2.gz FGFGNIVTNSYLIJ-UHFFFAOYSA-N 1 0 462.953 4.305 20 0 JIADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643589 719235432 /nfs/dbraw/zinc/23/54/32/719235432.db2.gz ZKSWTFVBNIJRHM-VXKWHMMOSA-N 1 0 464.635 4.002 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)CC1 ZINC001164666453 719444093 /nfs/dbraw/zinc/44/40/93/719444093.db2.gz CMAYNKQELQGTJI-OALUTQOASA-N 1 0 469.680 4.171 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c(Cl)ccnc43)CC2)c2ccccc21 ZINC001164681430 719660793 /nfs/dbraw/zinc/66/07/93/719660793.db2.gz OQLOGKAHGZZTTB-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cc4[nH]ccc43)CC2)c2ccccc21 ZINC001164680658 719661545 /nfs/dbraw/zinc/66/15/45/719661545.db2.gz HBFYCTZBARLJEG-GOSISDBHSA-N 1 0 466.029 4.310 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4cc(Cl)ncc43)CC2)c2ccccc21 ZINC001164684095 719663923 /nfs/dbraw/zinc/66/39/23/719663923.db2.gz WEVIATOLQYGABY-FQEVSTJZSA-N 1 0 478.040 4.377 20 0 JIADRO Cc1cc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2s1 ZINC001164682836 719675129 /nfs/dbraw/zinc/67/51/29/719675129.db2.gz PXEFDYOWUARXHL-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164681503 719676248 /nfs/dbraw/zinc/67/62/48/719676248.db2.gz MDBUBNPYNUTSTB-SFHVURJKSA-N 1 0 495.071 4.267 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CC2 ZINC001164690208 719746685 /nfs/dbraw/zinc/74/66/85/719746685.db2.gz VAFWMDNBYIIHOI-UHFFFAOYSA-N 1 0 466.935 4.267 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692140 719761003 /nfs/dbraw/zinc/76/10/03/719761003.db2.gz RZVVYGABILZVRJ-SIBVEZHUSA-N 1 0 496.656 4.487 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692134 719761261 /nfs/dbraw/zinc/76/12/61/719761261.db2.gz RZVVYGABILZVRJ-AFMDSPMNSA-N 1 0 496.656 4.487 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(-c4cnc(N5CCCCC5)nc4)n2)CC3)cs1 ZINC001164694510 719810716 /nfs/dbraw/zinc/81/07/16/719810716.db2.gz ZEWFQQGCVUGYPP-UHFFFAOYSA-N 1 0 490.681 4.324 20 0 JIADRO Cn1cnc2c1cc(C1CCN(c3ccc(C[NH+]4CCCC4)cn3)CC1)nc2-c1cccnc1 ZINC001164698987 719881473 /nfs/dbraw/zinc/88/14/73/719881473.db2.gz GLOPAVUTQKODMP-UHFFFAOYSA-N 1 0 453.594 4.405 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164710362 720097169 /nfs/dbraw/zinc/09/71/69/720097169.db2.gz JGBPLFQYKYQYMR-INIZCTEOSA-N 1 0 472.367 4.231 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164716262 720108694 /nfs/dbraw/zinc/10/86/94/720108694.db2.gz JRKNEVSXPPFWBD-SFHVURJKSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815933 720110201 /nfs/dbraw/zinc/11/02/01/720110201.db2.gz XPWXRAQIQWGRCP-BTYIYWSLSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(OC)c(OC)cc31)CC2 ZINC001164714924 720110255 /nfs/dbraw/zinc/11/02/55/720110255.db2.gz FKPNISHQCZDCIL-LJQANCHMSA-N 1 0 498.027 4.203 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164718623 720110862 /nfs/dbraw/zinc/11/08/62/720110862.db2.gz TZBXETQHBLHDHV-OAQYLSRUSA-N 1 0 465.001 4.095 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164717411 720112835 /nfs/dbraw/zinc/11/28/35/720112835.db2.gz OPTIUCUXKRYMHK-KRWDZBQOSA-N 1 0 473.955 4.464 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164715484 720123101 /nfs/dbraw/zinc/12/31/01/720123101.db2.gz GCDLFJPXPIUKFR-NRFANRHFSA-N 1 0 486.060 4.166 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164716969 720127168 /nfs/dbraw/zinc/12/71/68/720127168.db2.gz MNJUQIYQDMAYCH-LJQANCHMSA-N 1 0 466.960 4.105 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164712567 720130402 /nfs/dbraw/zinc/13/04/02/720130402.db2.gz NNVLCIHFXRJCFU-JOCHJYFZSA-N 1 0 475.593 4.180 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164713028 720134358 /nfs/dbraw/zinc/13/43/58/720134358.db2.gz PBIPOUKMWHUUOM-XMMPIXPASA-N 1 0 455.606 4.145 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164714786 720147162 /nfs/dbraw/zinc/14/71/62/720147162.db2.gz ZASARNDCJRAXON-SFHVURJKSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164710775 720150711 /nfs/dbraw/zinc/15/07/11/720150711.db2.gz CFOKQIOPFGEHHX-QFIPXVFZSA-N 1 0 462.598 4.158 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819753 720168303 /nfs/dbraw/zinc/16/83/03/720168303.db2.gz YBFNEFLDAPBACR-AMGIVPHBSA-N 1 0 483.726 4.479 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816639 720189387 /nfs/dbraw/zinc/18/93/87/720189387.db2.gz LXLJXYVFESXHNS-YWEHKCAJSA-N 1 0 461.654 4.319 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CCC2 ZINC001164814543 720238294 /nfs/dbraw/zinc/23/82/94/720238294.db2.gz XRBZKPRLPFMQNH-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccc4ccccc43)nn1)CCC2 ZINC001164812927 720240809 /nfs/dbraw/zinc/24/08/09/720240809.db2.gz KKJOONLSDBMWGY-UHFFFAOYSA-N 1 0 454.578 4.104 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164824489 720306991 /nfs/dbraw/zinc/30/69/91/720306991.db2.gz RDNFACRMIQTJSW-DQEYMECFSA-N 1 0 491.586 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164823786 720310977 /nfs/dbraw/zinc/31/09/77/720310977.db2.gz PWVCMQCFOVMGME-MOPGFXCFSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164823790 720311129 /nfs/dbraw/zinc/31/11/29/720311129.db2.gz PWVCMQCFOVMGME-RBUKOAKNSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001164829422 720333227 /nfs/dbraw/zinc/33/32/27/720333227.db2.gz LUAFCWSTXKPRCY-ZEQRLZLVSA-N 1 0 469.029 4.226 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164831249 720339354 /nfs/dbraw/zinc/33/93/54/720339354.db2.gz YLUYCILQPKKUMV-DQEYMECFSA-N 1 0 473.596 4.347 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164829207 720339366 /nfs/dbraw/zinc/33/93/66/720339366.db2.gz QWEJKOXQRBIAEH-VQTJNVASSA-N 1 0 499.750 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164829240 720352151 /nfs/dbraw/zinc/35/21/51/720352151.db2.gz QYWXWAPHOQMZRH-PMACEKPBSA-N 1 0 490.435 4.487 20 0 JIADRO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820393 720388664 /nfs/dbraw/zinc/38/86/64/720388664.db2.gz AOAPINLKRIEZRL-RGSZASNESA-N 1 0 476.646 4.358 20 0 JIADRO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728322 720407300 /nfs/dbraw/zinc/40/73/00/720407300.db2.gz SYHYWXJMECPMPI-UXHICEINSA-N 1 0 471.989 4.114 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1 ZINC001164839976 720502908 /nfs/dbraw/zinc/50/29/08/720502908.db2.gz UYVOBBLLLHZBTK-ZGFBMJKBSA-N 1 0 454.659 4.263 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833664 720513167 /nfs/dbraw/zinc/51/31/67/720513167.db2.gz DMAIRODKZPGGGR-ABSDTBQOSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)CC[C@@H]21 ZINC001164839061 720520489 /nfs/dbraw/zinc/52/04/89/720520489.db2.gz SJSHTLIYMKBOMH-MDKPJZGXSA-N 1 0 460.960 4.402 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)C1 ZINC001164731800 720520800 /nfs/dbraw/zinc/52/08/00/720520800.db2.gz AUINFNKRCKKKFO-GOSISDBHSA-N 1 0 468.001 4.232 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834641 720524156 /nfs/dbraw/zinc/52/41/56/720524156.db2.gz GVTOZZIWEKMUHG-OTNCWRBYSA-N 1 0 492.071 4.220 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)cnc2Cl)c1 ZINC001164734498 720535877 /nfs/dbraw/zinc/53/58/77/720535877.db2.gz JFJXNNRRONKYKB-INIZCTEOSA-N 1 0 461.944 4.350 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835018 720555548 /nfs/dbraw/zinc/55/55/48/720555548.db2.gz GSGWPNUDICWYEK-VTZPFEBOSA-N 1 0 473.600 4.193 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833551 720566181 /nfs/dbraw/zinc/56/61/81/720566181.db2.gz AAIBZZJPGQZRDX-ABSDTBQOSA-N 1 0 460.960 4.402 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736077 720580294 /nfs/dbraw/zinc/58/02/94/720580294.db2.gz ALOXZGWQERRAQP-UHFFFAOYSA-N 1 0 467.687 4.005 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842804 720597827 /nfs/dbraw/zinc/59/78/27/720597827.db2.gz VOYDWPMXYMSIDG-SLFFLAALSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]21 ZINC001164842824 720600957 /nfs/dbraw/zinc/60/09/57/720600957.db2.gz VTJKQOHNANZQDB-HWBMXIPRSA-N 1 0 453.594 4.266 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164835970 720614709 /nfs/dbraw/zinc/61/47/09/720614709.db2.gz DFEVXMPURRJJKI-ZWOKBUDYSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164836777 720617113 /nfs/dbraw/zinc/61/71/13/720617113.db2.gz GVQDVDRWGSAQDP-SDHOMARFSA-N 1 0 459.594 4.013 20 0 JIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842848 720633357 /nfs/dbraw/zinc/63/33/57/720633357.db2.gz VWGHEDSXSHZVNR-PCCBWWKXSA-N 1 0 452.006 4.075 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839630 720695976 /nfs/dbraw/zinc/69/59/76/720695976.db2.gz ATYRLJYDHMYFPB-KRWDZBQOSA-N 1 0 479.408 4.220 20 0 JIADRO CC1CCN(C(=O)c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)CC1 ZINC001164836470 720711391 /nfs/dbraw/zinc/71/13/91/720711391.db2.gz BCGGBWNQDDCISM-VWLOTQADSA-N 1 0 462.638 4.214 20 0 JIADRO 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474.943 4.462 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928706 721836901 /nfs/dbraw/zinc/83/69/01/721836901.db2.gz XXSPYQCVSFBVPX-PLXFJCCSSA-N 1 0 450.631 4.073 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2c1 ZINC001164938194 721922251 /nfs/dbraw/zinc/92/22/51/721922251.db2.gz JEAWPVNIUBZHAD-UHFFFAOYSA-N 1 0 480.996 4.250 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c21 ZINC001164939883 721927335 /nfs/dbraw/zinc/92/73/35/721927335.db2.gz OSNFUBMLVQBFDC-UHFFFAOYSA-N 1 0 452.986 4.472 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC3)C2)cc1 ZINC001164940016 721931291 /nfs/dbraw/zinc/93/12/91/721931291.db2.gz PQJMSAVJLWOALD-UHFFFAOYSA-N 1 0 462.972 4.343 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)cc1 ZINC001164940748 721931481 /nfs/dbraw/zinc/93/14/81/721931481.db2.gz ZYPZISXQOUYBKW-UHFFFAOYSA-N 1 0 472.589 4.095 20 0 JIADRO C[NH+](C)CC1CCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001165042912 721946785 /nfs/dbraw/zinc/94/67/85/721946785.db2.gz XXEVMSJZZGMLSK-JOCHJYFZSA-N 1 0 452.405 4.195 20 0 JIADRO COc1cccc2c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164961922 722051751 /nfs/dbraw/zinc/05/17/51/722051751.db2.gz YVLBUQRXESYVCF-UHFFFAOYSA-N 1 0 452.986 4.411 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1Cl ZINC001164960512 722054194 /nfs/dbraw/zinc/05/41/94/722054194.db2.gz QQLFYDQWLOAQKM-UHFFFAOYSA-N 1 0 479.408 4.079 20 0 JIADRO Cc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@H+](Cc2ccncc2)C4)n1)CCCC3 ZINC001164960733 722059519 /nfs/dbraw/zinc/05/95/19/722059519.db2.gz JWGXTGKEXIRCQV-UHFFFAOYSA-N 1 0 463.651 4.393 20 0 JIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164977201 722098333 /nfs/dbraw/zinc/09/83/33/722098333.db2.gz DZUVBBOZODPSGF-BHIFYINESA-N 1 0 487.982 4.203 20 0 JIADRO CSc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164971408 722125226 /nfs/dbraw/zinc/12/52/26/722125226.db2.gz CIKNHCJFFWRJGK-IRXDYDNUSA-N 1 0 454.974 4.124 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164982130 722140090 /nfs/dbraw/zinc/14/00/90/722140090.db2.gz RDVNQZCMWKLGCE-ZJSXRUAMSA-N 1 0 487.629 4.489 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCCCC3 ZINC001164982181 722142501 /nfs/dbraw/zinc/14/25/01/722142501.db2.gz RHGYWQRESKCATA-RBBKRZOGSA-N 1 0 463.651 4.391 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982580 722143845 /nfs/dbraw/zinc/14/38/45/722143845.db2.gz RQWOZFUQLNAKHP-REWPJTCUSA-N 1 0 485.966 4.464 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)n2)CCC3)s1 ZINC001164982057 722149395 /nfs/dbraw/zinc/14/93/95/722149395.db2.gz QVGWBIXKWMLMSX-RXVVDRJESA-N 1 0 482.053 4.470 20 0 JIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164972707 722153907 /nfs/dbraw/zinc/15/39/07/722153907.db2.gz JCJAIBCWEBXJQJ-CUBQBAPOSA-N 1 0 481.600 4.331 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993712 722200432 /nfs/dbraw/zinc/20/04/32/722200432.db2.gz ACBCPKPZEQDJIO-DEOSSOPVSA-N 1 0 454.933 4.454 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CCC2 ZINC001165003380 722257586 /nfs/dbraw/zinc/25/75/86/722257586.db2.gz AXZJPWYBKRXHHG-UHFFFAOYSA-N 1 0 479.387 4.275 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300646802 1069321693 /nfs/dbraw/zinc/32/16/93/1069321693.db2.gz KVGWJIOMOVSIBJ-KDYSTLNUSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492593089 1069326154 /nfs/dbraw/zinc/32/61/54/1069326154.db2.gz BFPZPWGBNXXKRL-SZPZYZBQSA-N 1 0 462.642 4.097 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC1([NH+](C)C)CCC1 ZINC001300650800 1069332842 /nfs/dbraw/zinc/33/28/42/1069332842.db2.gz QIBCIQPZVGXYPM-LJQANCHMSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001300652042 1069338474 /nfs/dbraw/zinc/33/84/74/1069338474.db2.gz JRUJVRJAERAHGT-WOJBJXKFSA-N 1 0 459.610 4.315 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C)nc1 ZINC001300652072 1069338904 /nfs/dbraw/zinc/33/89/04/1069338904.db2.gz MBSDOSJILCTEIM-UHFFFAOYSA-N 1 0 478.641 4.176 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300659671 1069365001 /nfs/dbraw/zinc/36/50/01/1069365001.db2.gz FDXNWHJIDYTKEL-AUSIDOKSSA-N 1 0 485.654 4.339 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300659611 1069365050 /nfs/dbraw/zinc/36/50/50/1069365050.db2.gz ZVVDUDAIHHLYIK-FKBYEOEOSA-N 1 0 485.673 4.237 20 0 JIADRO COc1cccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1OC ZINC001354605546 1069387225 /nfs/dbraw/zinc/38/72/25/1069387225.db2.gz IGNUNGWKEXBQGG-VAVYLYDRSA-N 1 0 458.602 4.452 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300669503 1069397723 /nfs/dbraw/zinc/39/77/23/1069397723.db2.gz LSYUYQMJALBSFQ-OALUTQOASA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001354616516 1069406196 /nfs/dbraw/zinc/40/61/96/1069406196.db2.gz XLAHFYLQFCZGNV-VLCRHTCISA-N 1 0 465.619 4.123 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300672865 1069411895 /nfs/dbraw/zinc/41/18/95/1069411895.db2.gz SBQDIYMAIIGJCI-BSRJHKFKSA-N 1 0 461.701 4.251 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300672260 1069408535 /nfs/dbraw/zinc/40/85/35/1069408535.db2.gz HSASHKTZJDNBHC-NRFANRHFSA-N 1 0 487.714 4.420 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc2C(F)(F)F)CC1 ZINC001200729114 1069414695 /nfs/dbraw/zinc/41/46/95/1069414695.db2.gz RRKKCNUIYALEJX-UHFFFAOYSA-N 1 0 480.556 4.058 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001359347697 1069421075 /nfs/dbraw/zinc/42/10/75/1069421075.db2.gz QFURHILJIYNSQC-LSDHQDQOSA-N 1 0 473.625 4.341 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001359349100 1069425010 /nfs/dbraw/zinc/42/50/10/1069425010.db2.gz QQMDBDAHVYRBAV-TVNSMHFRSA-N 1 0 450.631 4.033 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@]3(CCOC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300677014 1069428711 /nfs/dbraw/zinc/42/87/11/1069428711.db2.gz REZORRUPXBXVQI-NLFFAJNJSA-N 1 0 473.687 4.172 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359351563 1069433905 /nfs/dbraw/zinc/43/39/05/1069433905.db2.gz QIXGIEQMJJGJJI-NRFANRHFSA-N 1 0 480.701 4.422 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300677915 1069434117 /nfs/dbraw/zinc/43/41/17/1069434117.db2.gz WXKIMOYETVDWKG-OAQYLSRUSA-N 1 0 473.687 4.460 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359352011 1069435032 /nfs/dbraw/zinc/43/50/32/1069435032.db2.gz HCJFURAZAIWUQD-UHFFFAOYSA-N 1 0 480.701 4.459 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359352386 1069435729 /nfs/dbraw/zinc/43/57/29/1069435729.db2.gz WSNDTFVAKUNQMB-NHCUHLMSSA-N 1 0 484.664 4.289 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359354194 1069438300 /nfs/dbraw/zinc/43/83/00/1069438300.db2.gz CNDPLWZCUYIFMI-QHCPKHFHSA-N 1 0 496.700 4.186 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[NH+]1CCSCC1 ZINC001300679518 1069440544 /nfs/dbraw/zinc/44/05/44/1069440544.db2.gz LWULMRQXSPNXFO-QGZVFWFLSA-N 1 0 483.654 4.109 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001359357336 1069447121 /nfs/dbraw/zinc/44/71/21/1069447121.db2.gz DEGABGRZPNWIKY-FPOVZHCZSA-N 1 0 473.065 4.168 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300680582 1069444582 /nfs/dbraw/zinc/44/45/82/1069444582.db2.gz XFNJEULKHZFWNT-LEWJYISDSA-N 1 0 473.687 4.316 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359360443 1069452127 /nfs/dbraw/zinc/45/21/27/1069452127.db2.gz LSVGLOGZMUYMQM-RBBKRZOGSA-N 1 0 466.674 4.370 20 0 JIADRO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001359365872 1069462323 /nfs/dbraw/zinc/46/23/23/1069462323.db2.gz NXHGJGXXGNJYFC-GJZUVCINSA-N 1 0 480.701 4.224 20 0 JIADRO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001359365873 1069462604 /nfs/dbraw/zinc/46/26/04/1069462604.db2.gz NXHGJGXXGNJYFC-NVQXNPDNSA-N 1 0 480.701 4.224 20 0 JIADRO CC(=O)N1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001359368201 1069466983 /nfs/dbraw/zinc/46/69/83/1069466983.db2.gz FAWZGIJRQRMWLY-IBGZPJMESA-N 1 0 491.055 4.307 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359374319 1069479291 /nfs/dbraw/zinc/47/92/91/1069479291.db2.gz YTHGYPYRXOFLGW-HXUWFJFHSA-N 1 0 491.080 4.087 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@@H]2C)CC1 ZINC001359380470 1069485161 /nfs/dbraw/zinc/48/51/61/1069485161.db2.gz MNICDTFTMJSDRN-GMAHTHKFSA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359385546 1069492296 /nfs/dbraw/zinc/49/22/96/1069492296.db2.gz DNAMWLDCEQMACG-YADHBBJMSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001359387130 1069496318 /nfs/dbraw/zinc/49/63/18/1069496318.db2.gz XDAUAJPRFKHTPL-JOCHJYFZSA-N 1 0 496.700 4.301 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC001359395307 1069499732 /nfs/dbraw/zinc/49/97/32/1069499732.db2.gz SYVFGEDDCJINHK-JWZKTCGFSA-N 1 0 480.701 4.021 20 0 JIADRO CC(=O)Nc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001359403709 1069507466 /nfs/dbraw/zinc/50/74/66/1069507466.db2.gz QSZTZEPWIIUFQR-VWLOTQADSA-N 1 0 482.673 4.277 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359411627 1069528108 /nfs/dbraw/zinc/52/81/08/1069528108.db2.gz RWPYNRXYERDHGX-UHFFFAOYSA-N 1 0 488.080 4.142 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001359413937 1069535958 /nfs/dbraw/zinc/53/59/58/1069535958.db2.gz RPDVMYKWIFEURL-STEQJIOHSA-N 1 0 466.674 4.025 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359418809 1069546503 /nfs/dbraw/zinc/54/65/03/1069546503.db2.gz ZTRNDSBSPZQBGK-RXVVDRJESA-N 1 0 491.055 4.355 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359426353 1069551997 /nfs/dbraw/zinc/55/19/97/1069551997.db2.gz DXBUGONTUDLPBX-UHFFFAOYSA-N 1 0 486.730 4.499 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359429978 1069554553 /nfs/dbraw/zinc/55/45/53/1069554553.db2.gz CUIVWJXDLMRVLI-VXKWHMMOSA-N 1 0 496.700 4.027 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001359433500 1069561032 /nfs/dbraw/zinc/56/10/32/1069561032.db2.gz JQMBZGZJRJEAMY-DOTOQJQBSA-N 1 0 479.456 4.087 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359438085 1069567006 /nfs/dbraw/zinc/56/70/06/1069567006.db2.gz SUBFQAJPJCQJEO-RCZVLFRGSA-N 1 0 480.701 4.042 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359438583 1069567675 /nfs/dbraw/zinc/56/76/75/1069567675.db2.gz DETAEUXIBWTQED-HXUWFJFHSA-N 1 0 491.105 4.062 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359444659 1069577108 /nfs/dbraw/zinc/57/71/08/1069577108.db2.gz PSPFOHWZXQOJPO-UHFFFAOYSA-N 1 0 498.741 4.496 20 0 JIADRO Cc1ccccc1Cn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492594799 1069582786 /nfs/dbraw/zinc/58/27/86/1069582786.db2.gz DBACUJAOYGFLRL-HHHXNRCGSA-N 1 0 469.674 4.234 20 0 JIADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1CCCC1 ZINC001359479853 1069651140 /nfs/dbraw/zinc/65/11/40/1069651140.db2.gz OIMMENKSMYGIGP-RTBURBONSA-N 1 0 493.743 4.019 20 0 JIADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359486160 1069665233 /nfs/dbraw/zinc/66/52/33/1069665233.db2.gz VUEGYZJCJMCIFG-RTWAWAEBSA-N 1 0 489.730 4.037 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1ccc(Cl)s1 ZINC001359504992 1069773919 /nfs/dbraw/zinc/77/39/19/1069773919.db2.gz MMHSOPIQEULAQB-UHFFFAOYSA-N 1 0 452.068 4.082 20 0 JIADRO 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CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSCCCO)CC1 ZINC001359546539 1069850843 /nfs/dbraw/zinc/85/08/43/1069850843.db2.gz ITSZVFNNFDTMSY-UHFFFAOYSA-N 1 0 466.095 4.272 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCSCC(F)(F)F)CC1 ZINC001359547006 1069851647 /nfs/dbraw/zinc/85/16/47/1069851647.db2.gz XZSIZPBEOURDDG-KRWDZBQOSA-N 1 0 463.614 4.026 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1 ZINC001359547301 1069852539 /nfs/dbraw/zinc/85/25/39/1069852539.db2.gz KIKOHLPZXYREOB-UHFFFAOYSA-N 1 0 494.688 4.005 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccsc2Br)CC1 ZINC001359549158 1069856960 /nfs/dbraw/zinc/85/69/60/1069856960.db2.gz DUHHQBAKSKATCG-UHFFFAOYSA-N 1 0 461.433 4.133 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCOC2)CC1 ZINC001359549237 1069857626 /nfs/dbraw/zinc/85/76/26/1069857626.db2.gz HRHZECWVZZTVBB-QGZVFWFLSA-N 1 0 462.436 4.055 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001359549814 1069857869 /nfs/dbraw/zinc/85/78/69/1069857869.db2.gz BYLYOEFLVRNFEA-GOSISDBHSA-N 1 0 455.500 4.256 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC001359550305 1069858614 /nfs/dbraw/zinc/85/86/14/1069858614.db2.gz XUDQLVFFYXCQNV-HXUWFJFHSA-N 1 0 481.563 4.177 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)C1 ZINC001359556763 1069873165 /nfs/dbraw/zinc/87/31/65/1069873165.db2.gz WGGXIHWTZWFXGP-ROUUACIJSA-N 1 0 486.583 4.020 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001359559185 1069880464 /nfs/dbraw/zinc/88/04/64/1069880464.db2.gz ICBVXYRCODKOEB-JOCHJYFZSA-N 1 0 482.673 4.470 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001359563322 1069890239 /nfs/dbraw/zinc/89/02/39/1069890239.db2.gz JUTATNWDGXGBLP-HXUWFJFHSA-N 1 0 460.667 4.086 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1 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1070123433 /nfs/dbraw/zinc/12/34/33/1070123433.db2.gz AORZXRMUDCLDLR-DENIHFKCSA-N 1 0 499.059 4.483 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359634747 1070158735 /nfs/dbraw/zinc/15/87/35/1070158735.db2.gz COADNGRUHLHKRV-FQEVSTJZSA-N 1 0 479.044 4.066 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359637223 1070166783 /nfs/dbraw/zinc/16/67/83/1070166783.db2.gz KUTXAYYRHLGBAW-HSZRJFAPSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001359645981 1070192343 /nfs/dbraw/zinc/19/23/43/1070192343.db2.gz GBBKZMXEBOPNSX-DEOSSOPVSA-N 1 0 482.717 4.188 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359655292 1070225269 /nfs/dbraw/zinc/22/52/69/1070225269.db2.gz SUITUPFOKQQDKD-HSZRJFAPSA-N 1 0 484.472 4.491 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001359656478 1070235243 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XPYMIDWPGACUOZ-UHFFFAOYSA-N 1 0 492.668 4.482 20 0 JIADRO COC1CCC(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001315680487 1064923603 /nfs/dbraw/zinc/92/36/03/1064923603.db2.gz HRGLLCZGINZTIB-QNGMFEMESA-N 1 0 459.610 4.293 20 0 JIADRO COC1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC001315682322 1064928493 /nfs/dbraw/zinc/92/84/93/1064928493.db2.gz HNRJCGJMOGXRTM-UHFFFAOYSA-N 1 0 461.695 4.153 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001315688982 1064942808 /nfs/dbraw/zinc/94/28/08/1064942808.db2.gz ACJMZLXYQCKAFN-HXUWFJFHSA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001315690746 1064946822 /nfs/dbraw/zinc/94/68/22/1064946822.db2.gz GBAAUYQAKVPIOX-LYHRCORUSA-N 1 0 493.494 4.172 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315694387 1064954256 /nfs/dbraw/zinc/95/42/56/1064954256.db2.gz SLJFEJZAUFIFOV-WIYYLYMNSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315695839 1064955910 /nfs/dbraw/zinc/95/59/10/1064955910.db2.gz IINSLZCCXLLARE-YQVWRLOYSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315701863 1064965689 /nfs/dbraw/zinc/96/56/89/1064965689.db2.gz CYNFVMGYVYVEMK-GOTSBHOMSA-N 1 0 455.647 4.354 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001315703162 1064967393 /nfs/dbraw/zinc/96/73/93/1064967393.db2.gz CGANMIBLYSIURH-UHFFFAOYSA-N 1 0 468.671 4.160 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001315703791 1064969067 /nfs/dbraw/zinc/96/90/67/1064969067.db2.gz LPIIRMOAENHVPA-VXKWHMMOSA-N 1 0 477.694 4.193 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001315704460 1064971209 /nfs/dbraw/zinc/97/12/09/1064971209.db2.gz JDOCTDXREBMCKS-UHFFFAOYSA-N 1 0 466.674 4.336 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001315704694 1064972578 /nfs/dbraw/zinc/97/25/78/1064972578.db2.gz KBKHHDGOSFCWTL-UHFFFAOYSA-N 1 0 468.690 4.234 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccsc3)CC2)CC1 ZINC001315705796 1064975426 /nfs/dbraw/zinc/97/54/26/1064975426.db2.gz UDOADBIZCWFGCA-UHFFFAOYSA-N 1 0 488.746 4.140 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001315706054 1064976917 /nfs/dbraw/zinc/97/69/17/1064976917.db2.gz SHACTJJYLSIIMR-FYYLOGMGSA-N 1 0 469.655 4.454 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001315706694 1064978654 /nfs/dbraw/zinc/97/86/54/1064978654.db2.gz VWGQJOQOTSJBAG-VWLOTQADSA-N 1 0 483.701 4.318 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001315708860 1064984657 /nfs/dbraw/zinc/98/46/57/1064984657.db2.gz IGXJZNBSSFPONS-PGRDOPGGSA-N 1 0 459.610 4.356 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCCC2)CC1(C)C ZINC001315712008 1064991714 /nfs/dbraw/zinc/99/17/14/1064991714.db2.gz IGNKPJOFBPRUFM-FQEVSTJZSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC[C@@H]1C ZINC001315712939 1064996142 /nfs/dbraw/zinc/99/61/42/1064996142.db2.gz MDJPNYVWQRSQIX-WMZOPIPTSA-N 1 0 478.062 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC[C@@H]1C ZINC001315714371 1065002090 /nfs/dbraw/zinc/00/20/90/1065002090.db2.gz PTNKLBMJXMALAQ-IHFIDZABSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001315714477 1065002556 /nfs/dbraw/zinc/00/25/56/1065002556.db2.gz BQYWEUDIZCIHNF-XLIONFOSSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001315715935 1065005330 /nfs/dbraw/zinc/00/53/30/1065005330.db2.gz MIGJABDJPWLYSL-BULFRSBZSA-N 1 0 496.483 4.470 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)C[NH+](C)C)CC[C@H]1C ZINC001315717351 1065008089 /nfs/dbraw/zinc/00/80/89/1065008089.db2.gz VFCDSVXJMIKJOC-KJXAQDMKSA-N 1 0 457.663 4.484 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CC1(C)C ZINC001315720076 1065014313 /nfs/dbraw/zinc/01/43/13/1065014313.db2.gz VKMLQRQTFBLQOH-IBGZPJMESA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001315719802 1065014455 /nfs/dbraw/zinc/01/44/55/1065014455.db2.gz UFVWICIABPZYIU-QPPBQGQZSA-N 1 0 483.701 4.339 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CC[NH+](C)CC2)CC[C@@H]1C ZINC001315724434 1065020464 /nfs/dbraw/zinc/02/04/64/1065020464.db2.gz LIRGKSAHXDUCRN-GHTZIAJQSA-N 1 0 478.106 4.211 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CC[NH+](C)CC2)CC[C@@H]1C ZINC001315724436 1065020550 /nfs/dbraw/zinc/02/05/50/1065020550.db2.gz LIRGKSAHXDUCRN-RXVVDRJESA-N 1 0 478.106 4.211 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001315727879 1065024114 /nfs/dbraw/zinc/02/41/14/1065024114.db2.gz AQRQXFWMGADWCT-IMSXRSKXSA-N 1 0 453.675 4.407 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315728690 1065025095 /nfs/dbraw/zinc/02/50/95/1065025095.db2.gz LDIHIOLOVUKHBR-RTWAWAEBSA-N 1 0 457.619 4.234 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[C@H]1C ZINC001315729660 1065026603 /nfs/dbraw/zinc/02/66/03/1065026603.db2.gz GICNMCGEXPEKRM-STAYPELNSA-N 1 0 453.675 4.293 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[C@H]1C ZINC001315738500 1065043755 /nfs/dbraw/zinc/04/37/55/1065043755.db2.gz YLOCWJQZVAINPZ-GMKZXUHWSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315739591 1065046978 /nfs/dbraw/zinc/04/69/78/1065046978.db2.gz BVAPTLHKBHJUGB-LNRXMEIDSA-N 1 0 461.695 4.180 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315741145 1065049242 /nfs/dbraw/zinc/04/92/42/1065049242.db2.gz HWGATGAPMDTMEE-MXEMCNAFSA-N 1 0 475.703 4.422 20 0 JIADRO CO[C@@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315749578 1065058788 /nfs/dbraw/zinc/05/87/88/1065058788.db2.gz WDYBHGUWSIXXCM-ZEQKJWHPSA-N 1 0 499.700 4.261 20 0 JIADRO COCC(C)(C)CCCn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001315760195 1065069192 /nfs/dbraw/zinc/06/91/92/1065069192.db2.gz BGEBSLNZCZWWTI-RBBKRZOGSA-N 1 0 473.710 4.281 20 0 JIADRO COCC(C)(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315762037 1065075404 /nfs/dbraw/zinc/07/54/04/1065075404.db2.gz YEYFYTPTWKJQNI-UHFFFAOYSA-N 1 0 461.626 4.370 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001315764331 1065080693 /nfs/dbraw/zinc/08/06/93/1065080693.db2.gz SJWNZDYLIKWHNG-UHFFFAOYSA-N 1 0 480.426 4.051 20 0 JIADRO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315766664 1065085819 /nfs/dbraw/zinc/08/58/19/1065085819.db2.gz GIJAVRAEXRLLKT-QFIPXVFZSA-N 1 0 462.642 4.037 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315779486 1065109010 /nfs/dbraw/zinc/10/90/10/1065109010.db2.gz DNIPAXRYFAGPFQ-QGZVFWFLSA-N 1 0 450.002 4.475 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315787485 1065125633 /nfs/dbraw/zinc/12/56/33/1065125633.db2.gz VBQNLTXLPUYWKJ-LADGPHEKSA-N 1 0 453.675 4.408 20 0 JIADRO COC[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315791032 1065130651 /nfs/dbraw/zinc/13/06/51/1065130651.db2.gz AGDORRXBQXKSEO-MRXNPFEDSA-N 1 0 470.445 4.413 20 0 JIADRO COC[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001315791708 1065133255 /nfs/dbraw/zinc/13/32/55/1065133255.db2.gz DTBRANMRRGPFGO-FQEVSTJZSA-N 1 0 455.647 4.112 20 0 JIADRO COC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001315795954 1065142288 /nfs/dbraw/zinc/14/22/88/1065142288.db2.gz VBSVZLQAXSOBKI-FQEVSTJZSA-N 1 0 487.645 4.395 20 0 JIADRO COC[C@@H](F)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001315814393 1065168011 /nfs/dbraw/zinc/16/80/11/1065168011.db2.gz TVLFIYUCTXYZAY-UNMCSNQZSA-N 1 0 459.610 4.031 20 0 JIADRO COC[C@@H](F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001315822749 1065174788 /nfs/dbraw/zinc/17/47/88/1065174788.db2.gz BIRQOBPNMURWBU-ROUUACIJSA-N 1 0 486.419 4.213 20 0 JIADRO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCCC1 ZINC001315841377 1065223963 /nfs/dbraw/zinc/22/39/63/1065223963.db2.gz ULJUCPHYBDPVKH-XZOQPEGZSA-N 1 0 488.721 4.104 20 0 JIADRO COCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315860212 1065268749 /nfs/dbraw/zinc/26/87/49/1065268749.db2.gz LMEHPZVFBLQFSJ-JOCHJYFZSA-N 1 0 496.700 4.092 20 0 JIADRO 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CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396162 1066172925 /nfs/dbraw/zinc/17/29/25/1066172925.db2.gz RYWBGONMOQQTMO-VXKWHMMOSA-N 1 0 456.704 4.354 20 0 JIADRO CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396569 1066173535 /nfs/dbraw/zinc/17/35/35/1066173535.db2.gz UNMMXFPLMMPAOI-FGZHOGPDSA-N 1 0 473.735 4.230 20 0 JIADRO CS[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316397080 1066174666 /nfs/dbraw/zinc/17/46/66/1066174666.db2.gz XPHCGTNDDMEERS-NHCUHLMSSA-N 1 0 473.687 4.489 20 0 JIADRO CS[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316397141 1066174703 /nfs/dbraw/zinc/17/47/03/1066174703.db2.gz XWPZWNWQZFJBKY-FQEVSTJZSA-N 1 0 451.725 4.193 20 0 JIADRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(Cl)ccn2)CC[NH+](C)CC1 ZINC001316403428 1066184491 /nfs/dbraw/zinc/18/44/91/1066184491.db2.gz VWCSETQCTBKCID-UHFFFAOYSA-N 1 0 461.035 4.359 20 0 JIADRO CSC1(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Cl)CC[NH+](C)CC1 ZINC001316403989 1066185516 /nfs/dbraw/zinc/18/55/16/1066185516.db2.gz MXAKWAXCPPIYMH-UHFFFAOYSA-N 1 0 457.047 4.457 20 0 JIADRO CSC1(Cn2c(-c3ccccc3C)nnc2N2CC[C@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316404235 1066186166 /nfs/dbraw/zinc/18/61/66/1066186166.db2.gz HUDWTPYHQSFRDX-NRFANRHFSA-N 1 0 457.688 4.332 20 0 JIADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316407295 1066190590 /nfs/dbraw/zinc/19/05/90/1066190590.db2.gz NAOYFPOWJMTQEL-LJQANCHMSA-N 1 0 493.668 4.226 20 0 JIADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N2CC[C@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316409106 1066194679 /nfs/dbraw/zinc/19/46/79/1066194679.db2.gz WFMCQLPDMBDNQX-QHCPKHFHSA-N 1 0 471.715 4.256 20 0 JIADRO CSc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)ccn1 ZINC001316413242 1066204497 /nfs/dbraw/zinc/20/44/97/1066204497.db2.gz ATKFTVIWRXDYJS-UHFFFAOYSA-N 1 0 454.619 4.140 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2CC[NH+]2CCSCC2)n1 ZINC001492498661 1066222674 /nfs/dbraw/zinc/22/26/74/1066222674.db2.gz NRYGWFYLQCLIAM-UHFFFAOYSA-N 1 0 493.500 4.158 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316420753 1066225754 /nfs/dbraw/zinc/22/57/54/1066225754.db2.gz WSSFWUUADGNPKJ-HXUWFJFHSA-N 1 0 484.695 4.237 20 0 JIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC001325215426 1066239989 /nfs/dbraw/zinc/23/99/89/1066239989.db2.gz NONLPSUPELNTMJ-NFBKMPQASA-N 1 0 498.583 4.443 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCOCC1 ZINC001316424893 1066241030 /nfs/dbraw/zinc/24/10/30/1066241030.db2.gz NFLQTHJIZOISSY-UHFFFAOYSA-N 1 0 471.696 4.400 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426536 1066246772 /nfs/dbraw/zinc/24/67/72/1066246772.db2.gz JDNSBNZEZUHPNF-NRFANRHFSA-N 1 0 454.619 4.333 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316428785 1066257204 /nfs/dbraw/zinc/25/72/04/1066257204.db2.gz RTJOJQXTTRFEHV-HOKHCIIBSA-N 1 0 456.704 4.496 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001316430677 1066265774 /nfs/dbraw/zinc/26/57/74/1066265774.db2.gz PTLVUNCFBMGFNM-GOTSBHOMSA-N 1 0 485.677 4.304 20 0 JIADRO CSCc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001316431189 1066269075 /nfs/dbraw/zinc/26/90/75/1066269075.db2.gz FSCINLPREFCWNN-UHFFFAOYSA-N 1 0 467.687 4.018 20 0 JIADRO CSCc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001316435209 1066283840 /nfs/dbraw/zinc/28/38/40/1066283840.db2.gz VFOFYIKWZFKNAU-JOCHJYFZSA-N 1 0 457.688 4.252 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316435754 1066287597 /nfs/dbraw/zinc/28/75/97/1066287597.db2.gz YZIRZADOUVUSNI-IEBWSBKVSA-N 1 0 495.535 4.498 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001316436801 1066289730 /nfs/dbraw/zinc/28/97/30/1066289730.db2.gz OFOZETQOQFVXFC-RDJZCZTQSA-N 1 0 452.466 4.298 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CC[NH+](CC(C)C)CC2)cc1OC ZINC001326362719 1066293829 /nfs/dbraw/zinc/29/38/29/1066293829.db2.gz VDFSEEYFTJZUQH-UHFFFAOYSA-N 1 0 462.594 4.407 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@H+](C)Cc2ccccc2)n1 ZINC001492501901 1066299416 /nfs/dbraw/zinc/29/94/16/1066299416.db2.gz BIEWBILPUWVTPX-UHFFFAOYSA-N 1 0 478.641 4.006 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316442733 1066305951 /nfs/dbraw/zinc/30/59/51/1066305951.db2.gz ULTATROZWCHSGN-HXUWFJFHSA-N 1 0 461.651 4.450 20 0 JIADRO Cc1cccc(-c2nnc(N(Cc3cccc(F)c3)C[C@@H]3CCCO3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492504319 1066319234 /nfs/dbraw/zinc/31/92/34/1066319234.db2.gz RHTZLEONWUUFIZ-QHCPKHFHSA-N 1 0 466.605 4.313 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001316446863 1066319171 /nfs/dbraw/zinc/31/91/71/1066319171.db2.gz URAVLCLGPQRGTL-NRFANRHFSA-N 1 0 494.709 4.231 20 0 JIADRO Cc1cccc(-c2nnc(N3Cc4cccc(Br)c4C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492505396 1066323366 /nfs/dbraw/zinc/32/33/66/1066323366.db2.gz AJBABIJKRVJTBU-UHFFFAOYSA-N 1 0 455.404 4.271 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)C2)ccn1 ZINC001328451974 1066323804 /nfs/dbraw/zinc/32/38/04/1066323804.db2.gz VOXBOTAUFZBZEB-KRWDZBQOSA-N 1 0 462.472 4.207 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316449062 1066325375 /nfs/dbraw/zinc/32/53/75/1066325375.db2.gz XTNPTMKRYRXIQS-RBUKOAKNSA-N 1 0 459.660 4.374 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316449201 1066326098 /nfs/dbraw/zinc/32/60/98/1066326098.db2.gz HLSWQVVEBIXHPY-VQTJNVASSA-N 1 0 467.749 4.459 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492506444 1066326698 /nfs/dbraw/zinc/32/66/98/1066326698.db2.gz OIHLPLPWGRFYKR-VWLOTQADSA-N 1 0 495.716 4.242 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492507531 1066331476 /nfs/dbraw/zinc/33/14/76/1066331476.db2.gz WBTHBRXWULZPSV-SIKLNZKXSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001492507961 1066331894 /nfs/dbraw/zinc/33/18/94/1066331894.db2.gz DRICGQKFRWOEAE-HJNYFJLDSA-N 1 0 497.688 4.120 20 0 JIADRO CSCCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001316452301 1066334473 /nfs/dbraw/zinc/33/44/73/1066334473.db2.gz RQSOBAUEGJHDAL-UHFFFAOYSA-N 1 0 453.660 4.399 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316452653 1066334710 /nfs/dbraw/zinc/33/47/10/1066334710.db2.gz XNARPFAIMQJDGA-LEWJYISDSA-N 1 0 469.703 4.215 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492508632 1066335006 /nfs/dbraw/zinc/33/50/06/1066335006.db2.gz WGDOBIDDQNRKBL-YADARESESA-N 1 0 494.606 4.443 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492508758 1066335714 /nfs/dbraw/zinc/33/57/14/1066335714.db2.gz ZHIQIROULQIKCB-QZTJIDSGSA-N 1 0 480.579 4.315 20 0 JIADRO Cc1c2c(cccc2F)sc1S(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001329441938 1066338904 /nfs/dbraw/zinc/33/89/04/1066338904.db2.gz LSWYLPVMNJRIFT-LJQANCHMSA-N 1 0 477.627 4.426 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492511191 1066344441 /nfs/dbraw/zinc/34/44/41/1066344441.db2.gz QOGAXKUDRAIABN-XJUOHMSHSA-N 1 0 454.663 4.268 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140025 1066346767 /nfs/dbraw/zinc/34/67/67/1066346767.db2.gz IWTNDBJEBDGVFW-RTBURBONSA-N 1 0 457.416 4.077 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492511926 1066348924 /nfs/dbraw/zinc/34/89/24/1066348924.db2.gz ORSXKUHSIDYMQH-YADHBBJMSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001492514811 1066357292 /nfs/dbraw/zinc/35/72/92/1066357292.db2.gz VJYWUOWUNLGIGM-SFTDATJTSA-N 1 0 497.688 4.215 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC[N@H+](Cc4ccc(C)cc4)CC3)n2)c1 ZINC001331335907 1066359024 /nfs/dbraw/zinc/35/90/24/1066359024.db2.gz VSTGJNNUIDCWIX-UHFFFAOYSA-N 1 0 480.634 4.282 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492517037 1066367342 /nfs/dbraw/zinc/36/73/42/1066367342.db2.gz FOCMIWWGWCZXIC-NRFANRHFSA-N 1 0 497.688 4.359 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492517421 1066372514 /nfs/dbraw/zinc/37/25/14/1066372514.db2.gz SBJHMFIXJHZZPK-SFHLNBCPSA-N 1 0 493.622 4.089 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517423 1066373208 /nfs/dbraw/zinc/37/32/08/1066373208.db2.gz SBJHMFIXJHZZPK-ZVDOUQERSA-N 1 0 493.622 4.089 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)CC2)c1 ZINC001332228667 1066373539 /nfs/dbraw/zinc/37/35/39/1066373539.db2.gz KTSOSUFSYBZZFM-UHFFFAOYSA-N 1 0 483.616 4.499 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492518843 1066381254 /nfs/dbraw/zinc/38/12/54/1066381254.db2.gz SLRRPWFKBTXNCB-OAQYLSRUSA-N 1 0 493.622 4.233 20 0 JIADRO CSCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316475084 1066384919 /nfs/dbraw/zinc/38/49/19/1066384919.db2.gz OGQOGCSWDXWZFW-KRWDZBQOSA-N 1 0 450.052 4.041 20 0 JIADRO CSCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001316479072 1066392559 /nfs/dbraw/zinc/39/25/59/1066392559.db2.gz OYHCAWPPFWIOST-QFIPXVFZSA-N 1 0 488.771 4.237 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001316480951 1066395937 /nfs/dbraw/zinc/39/59/37/1066395937.db2.gz WJTRMWFPJKTCRO-LZQZEXGQSA-N 1 0 477.581 4.118 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1F ZINC001316488314 1066414828 /nfs/dbraw/zinc/41/48/28/1066414828.db2.gz IBYWYKKNSNWRCO-FHLIZLRMSA-N 1 0 462.367 4.398 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489068 1066419165 /nfs/dbraw/zinc/41/91/65/1066419165.db2.gz GFJVPQBIPLBSOT-JOCBIADPSA-N 1 0 457.566 4.171 20 0 JIADRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001335672396 1066419950 /nfs/dbraw/zinc/41/99/50/1066419950.db2.gz DUXWCNNVKUJBQM-HSZRJFAPSA-N 1 0 460.565 4.058 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316489431 1066421058 /nfs/dbraw/zinc/42/10/58/1066421058.db2.gz OKHHQBDWHMOZQB-IFMALSPDSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1F ZINC001316492410 1066431148 /nfs/dbraw/zinc/43/11/48/1066431148.db2.gz QDEPPHFMOQKTNJ-XLIONFOSSA-N 1 0 480.426 4.290 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1ccc(Br)cc1 ZINC001316493027 1066434172 /nfs/dbraw/zinc/43/41/72/1066434172.db2.gz ZICCDHRBDOHUSG-GOSISDBHSA-N 1 0 490.490 4.270 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CCOCC(F)(F)C(F)F ZINC001316497015 1066447642 /nfs/dbraw/zinc/44/76/42/1066447642.db2.gz NVUDSIRTUVKWFF-QUCCMNQESA-N 1 0 499.553 4.147 20 0 JIADRO COc1cccc(CN2CCC([NH2+]C[C@H](O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001336957601 1066452771 /nfs/dbraw/zinc/45/27/71/1066452771.db2.gz WGPLDSABWBXTCN-IBGZPJMESA-N 1 0 483.834 4.105 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316500053 1066459339 /nfs/dbraw/zinc/45/93/39/1066459339.db2.gz DQYSKUCPGQBVIG-MDOVXXIYSA-N 1 0 453.528 4.215 20 0 JIADRO C[C@@H]1CN(c2nnc(CC3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC001316500659 1066460194 /nfs/dbraw/zinc/46/01/94/1066460194.db2.gz IWYRTQCEHZLZGZ-KDURUIRLSA-N 1 0 461.601 4.141 20 0 JIADRO Clc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CCC[NH+]2CCCCC2)cn1 ZINC001316508174 1066486387 /nfs/dbraw/zinc/48/63/87/1066486387.db2.gz SDESMEYSWOPMDW-UHFFFAOYSA-N 1 0 465.827 4.358 20 0 JIADRO FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001316508896 1066489479 /nfs/dbraw/zinc/48/94/79/1066489479.db2.gz OJUVMBXJTJCPHF-UHFFFAOYSA-N 1 0 468.390 4.288 20 0 JIADRO FC(F)(F)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001316510168 1066493253 /nfs/dbraw/zinc/49/32/53/1066493253.db2.gz DNLRVCSVYVNIJI-OAHLLOKOSA-N 1 0 475.357 4.443 20 0 JIADRO FC(F)(F)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCC2)CCO1 ZINC001316510583 1066494185 /nfs/dbraw/zinc/49/41/85/1066494185.db2.gz PUUIFRYXWXZCED-AWEZNQCLSA-N 1 0 494.381 4.023 20 0 JIADRO FC(F)(F)CCCn1c(Cc2cccnc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316513193 1066501715 /nfs/dbraw/zinc/50/17/15/1066501715.db2.gz WNZXFGXAHSJKGK-UHFFFAOYSA-N 1 0 464.561 4.033 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC001337671845 1066502310 /nfs/dbraw/zinc/50/23/10/1066502310.db2.gz AZRWYJIORBKZGZ-UHFFFAOYSA-N 1 0 462.363 4.397 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c2ccccc2)CC1 ZINC001337671980 1066502395 /nfs/dbraw/zinc/50/23/95/1066502395.db2.gz IVAJUCSYASZKPE-DEOSSOPVSA-N 1 0 458.562 4.243 20 0 JIADRO FC(F)(F)CSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316515342 1066509559 /nfs/dbraw/zinc/50/95/59/1066509559.db2.gz SPRIZIVVWGLCAE-MRXNPFEDSA-N 1 0 489.995 4.053 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001337934281 1066520877 /nfs/dbraw/zinc/52/08/77/1066520877.db2.gz IUPDSRXDDITNED-UHFFFAOYSA-N 1 0 462.516 4.327 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)C1 ZINC001337982119 1066523046 /nfs/dbraw/zinc/52/30/46/1066523046.db2.gz LLFNLEPABSCICA-QGZVFWFLSA-N 1 0 494.455 4.020 20 0 JIADRO Fc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001316524205 1066535505 /nfs/dbraw/zinc/53/55/05/1066535505.db2.gz FQEIRKYTEDQSTH-UHFFFAOYSA-N 1 0 467.511 4.427 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001316525456 1066539353 /nfs/dbraw/zinc/53/93/53/1066539353.db2.gz AWXVALBCMIAPPS-UHFFFAOYSA-N 1 0 469.527 4.389 20 0 JIADRO Fc1ccccc1-c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCOCC(F)F ZINC001316527634 1066544313 /nfs/dbraw/zinc/54/43/13/1066544313.db2.gz DBRRRDGIMKWUFA-UHFFFAOYSA-N 1 0 451.537 4.068 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(OC)cc(Br)c2OC)CC1 ZINC001338348750 1066549770 /nfs/dbraw/zinc/54/97/70/1066549770.db2.gz PGILECORKOYXFM-OAHLLOKOSA-N 1 0 494.405 4.238 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 ZINC001338544082 1066563648 /nfs/dbraw/zinc/56/36/48/1066563648.db2.gz UCIHGPVNPZWFBT-OFSOJUDTSA-N 1 0 496.655 4.235 20 0 JIADRO NC(=O)C[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001316548262 1066565746 /nfs/dbraw/zinc/56/57/46/1066565746.db2.gz BZOXZMNISUNVRR-IBGZPJMESA-N 1 0 491.105 4.192 20 0 JIADRO O=C(Nc1ccccn1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316559562 1066576436 /nfs/dbraw/zinc/57/64/36/1066576436.db2.gz DBUSKHBDEDODCS-LJQANCHMSA-N 1 0 475.588 4.063 20 0 JIADRO COc1cc(-c2cc(C(=O)OC[C@@H]3C[N@H+](CC(C)C)CCO3)c3ccccc3n2)cc(OC)c1OC ZINC001341905217 1066591726 /nfs/dbraw/zinc/59/17/26/1066591726.db2.gz YTQAEURMPKXIIL-FQEVSTJZSA-N 1 0 494.588 4.441 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492538399 1066604433 /nfs/dbraw/zinc/60/44/33/1066604433.db2.gz CTQMLFUCOPWHJF-HXUWFJFHSA-N 1 0 452.584 4.154 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316587981 1066614608 /nfs/dbraw/zinc/61/46/08/1066614608.db2.gz FMTIHYUZWKZMFO-HNNXBMFYSA-N 1 0 488.822 4.484 20 0 JIADRO OCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001316588259 1066615249 /nfs/dbraw/zinc/61/52/49/1066615249.db2.gz QOZNXOYTAQSBBN-UHFFFAOYSA-N 1 0 460.066 4.387 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316590916 1066620172 /nfs/dbraw/zinc/62/01/72/1066620172.db2.gz YLJKNEWRFXPWEL-SFHVURJKSA-N 1 0 484.859 4.268 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492539415 1066625800 /nfs/dbraw/zinc/62/58/00/1066625800.db2.gz CNGXZBORWAKTLN-BHDDXSALSA-N 1 0 485.673 4.057 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492541230 1066644200 /nfs/dbraw/zinc/64/42/00/1066644200.db2.gz DVUPMQKWMHWOAR-CTNGQTDRSA-N 1 0 453.587 4.065 20 0 JIADRO COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2)cc1 ZINC001317718634 1066646563 /nfs/dbraw/zinc/64/65/63/1066646563.db2.gz BSQLDEVJNHKDEF-GOSISDBHSA-N 1 0 494.057 4.168 20 0 JIADRO Cc1cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)ccc1N1CC[NH+](C)CC1 ZINC001317728839 1066650857 /nfs/dbraw/zinc/65/08/57/1066650857.db2.gz MTTAAOYCLBJEOM-SANMLTNESA-N 1 0 455.558 4.453 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001492543342 1066667444 /nfs/dbraw/zinc/66/74/44/1066667444.db2.gz ITTXXZFLIFEXHB-FCHUYYIVSA-N 1 0 498.672 4.001 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 ZINC001347323327 1066679155 /nfs/dbraw/zinc/67/91/55/1066679155.db2.gz ONBIZNLTZGISEC-ZDUSSCGKSA-N 1 0 457.415 4.422 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)c(C)c2)CC1 ZINC001347798335 1066701661 /nfs/dbraw/zinc/70/16/61/1066701661.db2.gz UVEFMXXBCFHQQD-UHFFFAOYSA-N 1 0 453.587 4.060 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001317834574 1066719708 /nfs/dbraw/zinc/71/97/08/1066719708.db2.gz FDVRHUOGIQLPHP-UHFFFAOYSA-N 1 0 475.614 4.282 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842753 1066725127 /nfs/dbraw/zinc/72/51/27/1066725127.db2.gz LKOWEOSJNPNTFX-NHCUHLMSSA-N 1 0 454.590 4.488 20 0 JIADRO CCCn1c2ccccc2n(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1=O ZINC001348259166 1066731303 /nfs/dbraw/zinc/73/13/03/1066731303.db2.gz OZQYVWZYQYHXIU-JOCHJYFZSA-N 1 0 454.640 4.254 20 0 JIADRO O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317861065 1066739282 /nfs/dbraw/zinc/73/92/82/1066739282.db2.gz ZLLDXLRGYOLRBV-UHFFFAOYSA-N 1 0 469.651 4.418 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CSc2ccc(Br)cc2)c1 ZINC001317866658 1066741720 /nfs/dbraw/zinc/74/17/20/1066741720.db2.gz FNMZLUJQBVJUOJ-UHFFFAOYSA-N 1 0 464.429 4.252 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC001317882472 1066752157 /nfs/dbraw/zinc/75/21/57/1066752157.db2.gz FJUWJJSFCCESOF-UHFFFAOYSA-N 1 0 479.046 4.288 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCOc4ccc(Br)cc43)c(C)c2)CC1 ZINC001348579314 1066757978 /nfs/dbraw/zinc/75/79/78/1066757978.db2.gz MTKUDVCXDFFHHU-LJQANCHMSA-N 1 0 458.400 4.404 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c2cccs2)CC1 ZINC001317903498 1066772988 /nfs/dbraw/zinc/77/29/88/1066772988.db2.gz KMBHOIKHHJUGCP-QHCPKHFHSA-N 1 0 494.661 4.239 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317907981 1066777893 /nfs/dbraw/zinc/77/78/93/1066777893.db2.gz LYLUWHIGCRCBIN-UHFFFAOYSA-N 1 0 452.562 4.087 20 0 JIADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001348901590 1066788189 /nfs/dbraw/zinc/78/81/89/1066788189.db2.gz WOQNOUQSNPCXCT-NRFANRHFSA-N 1 0 473.499 4.020 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)CC2)cc1 ZINC001317922016 1066788363 /nfs/dbraw/zinc/78/83/63/1066788363.db2.gz MEWNKNPBOMMKNU-UHFFFAOYSA-N 1 0 460.043 4.297 20 0 JIADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001317962775 1066814805 /nfs/dbraw/zinc/81/48/05/1066814805.db2.gz ABLCAKMRGLQXFJ-UHFFFAOYSA-N 1 0 462.406 4.445 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCC(Oc4ccccc4)CC3)CC2)c1 ZINC001317963831 1066815545 /nfs/dbraw/zinc/81/55/45/1066815545.db2.gz GJKPGUBFXSONAD-UHFFFAOYSA-N 1 0 450.627 4.150 20 0 JIADRO COc1ccc(C(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccc(OC)cc2)cc1 ZINC001317976794 1066827742 /nfs/dbraw/zinc/82/77/42/1066827742.db2.gz SECGAVCSDYRHIN-UHFFFAOYSA-N 1 0 460.578 4.152 20 0 JIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)c2)CC1 ZINC001317984049 1066831334 /nfs/dbraw/zinc/83/13/34/1066831334.db2.gz NHHIPENMLJRMDY-UHFFFAOYSA-N 1 0 466.589 4.298 20 0 JIADRO Cc1cc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)ccc1N1CC[NH+](C)CC1 ZINC001318002847 1066845213 /nfs/dbraw/zinc/84/52/13/1066845213.db2.gz LRABGYKROXIXCA-LJQANCHMSA-N 1 0 486.458 4.157 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCCOC(C)C)c1 ZINC001492546773 1066852605 /nfs/dbraw/zinc/85/26/05/1066852605.db2.gz BBOJYVFNEUQCQH-JOCHJYFZSA-N 1 0 455.647 4.291 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN([C@@H](C)c4nccs4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546831 1066853182 /nfs/dbraw/zinc/85/31/82/1066853182.db2.gz DLHZAPFGDFMIMG-NRFANRHFSA-N 1 0 497.713 4.093 20 0 JIADRO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)nnn1Cc1ccc(F)cc1 ZINC001349561696 1066854395 /nfs/dbraw/zinc/85/43/95/1066854395.db2.gz LNVCCVLVMOKQTA-OAQYLSRUSA-N 1 0 455.603 4.292 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC001318025795 1066857994 /nfs/dbraw/zinc/85/79/94/1066857994.db2.gz DEKYGEOVPFURTJ-UHFFFAOYSA-N 1 0 470.577 4.239 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)cc2Cl)CC1 ZINC001318035275 1066863485 /nfs/dbraw/zinc/86/34/85/1066863485.db2.gz GWOPWSPYHOVHBB-UHFFFAOYSA-N 1 0 491.076 4.010 20 0 JIADRO COc1ccccc1[C@@H]1[C@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061791 1066878928 /nfs/dbraw/zinc/87/89/28/1066878928.db2.gz PFZILHOXNNIEAO-LSCGWGKXSA-N 1 0 461.606 4.185 20 0 JIADRO S=c1n(CN2CCC[N@@H+]3CCC[C@@H]3C2)nc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC001318095323 1066896935 /nfs/dbraw/zinc/89/69/35/1066896935.db2.gz QNISDKFJIWHISX-HXUWFJFHSA-N 1 0 485.455 4.355 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC001318096008 1066896981 /nfs/dbraw/zinc/89/69/81/1066896981.db2.gz DYJSAOMMDHUMMQ-IBGZPJMESA-N 1 0 475.383 4.184 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001318135794 1066917757 /nfs/dbraw/zinc/91/77/57/1066917757.db2.gz LBYPOWNYOKZXBD-UHFFFAOYSA-N 1 0 486.494 4.262 20 0 JIADRO CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001350103678 1066918517 /nfs/dbraw/zinc/91/85/17/1066918517.db2.gz YQAZGUANRIMPEL-IZZNHLLZSA-N 1 0 459.590 4.363 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318139795 1066919273 /nfs/dbraw/zinc/91/92/73/1066919273.db2.gz DPNXFONBLVJAMF-OYRHEFFESA-N 1 0 496.652 4.320 20 0 JIADRO COC(=O)/C=C/c1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)o1 ZINC001350123863 1066921208 /nfs/dbraw/zinc/92/12/08/1066921208.db2.gz SEPFJFOSSUQSPW-WYMLVPIESA-N 1 0 459.546 4.036 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156311 1066929109 /nfs/dbraw/zinc/92/91/09/1066929109.db2.gz MOWJEJDERLCFDL-GGAORHGYSA-N 1 0 458.647 4.248 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318173180 1066938993 /nfs/dbraw/zinc/93/89/93/1066938993.db2.gz LQBGAELCWKBIAO-DBTWGZIYSA-N 1 0 463.622 4.336 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001318176793 1066940602 /nfs/dbraw/zinc/94/06/02/1066940602.db2.gz SWQBQKOYCKRABO-WOJBJXKFSA-N 1 0 456.606 4.310 20 0 JIADRO COC(=O)c1ccc(OC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(OC)c1 ZINC001350324897 1066943501 /nfs/dbraw/zinc/94/35/01/1066943501.db2.gz GSZKUCCXQNIXNP-QDPGVEIFSA-N 1 0 459.542 4.477 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c2cccs2)CC1 ZINC001318196846 1066952554 /nfs/dbraw/zinc/95/25/54/1066952554.db2.gz SWLKZGMMWKTZKJ-VXKWHMMOSA-N 1 0 454.640 4.125 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC001350467524 1066960181 /nfs/dbraw/zinc/96/01/81/1066960181.db2.gz HHYBYQCKRAUQDP-OAQYLSRUSA-N 1 0 452.020 4.392 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC[C@H]3c3cccc(Br)c3)c2)CC1 ZINC001318225590 1066969993 /nfs/dbraw/zinc/96/99/93/1066969993.db2.gz BTCMNYGARBNQKS-QHCPKHFHSA-N 1 0 471.443 4.243 20 0 JIADRO COc1ccc(C[C@@H](C)N(C)C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001318242951 1066980349 /nfs/dbraw/zinc/98/03/49/1066980349.db2.gz MBTVPOMHTOCZGA-HSZRJFAPSA-N 1 0 452.643 4.178 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccc(S(C)(=O)=O)cc4)n3)CC2)cc1 ZINC001318244377 1066981082 /nfs/dbraw/zinc/98/10/82/1066981082.db2.gz JMMUBCRGSOLCFR-UHFFFAOYSA-N 1 0 455.649 4.230 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)C1 ZINC001318251177 1066984159 /nfs/dbraw/zinc/98/41/59/1066984159.db2.gz WVDPTYRVLTZXQP-MRXNPFEDSA-N 1 0 474.399 4.172 20 0 JIADRO Cc1c(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cccc1C(=O)Nc1ccccc1 ZINC001318251410 1066984412 /nfs/dbraw/zinc/98/44/12/1066984412.db2.gz VAELJMBFLIVVHF-UHFFFAOYSA-N 1 0 471.605 4.316 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)c(C(F)(F)F)c2)CC1 ZINC001350693473 1066989969 /nfs/dbraw/zinc/98/99/69/1066989969.db2.gz XAOROWDYVJHPHN-UHFFFAOYSA-N 1 0 459.447 4.306 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3sc(C)nc3-c3ccc(OC)cc3)cc2)CC1 ZINC001350700204 1066990538 /nfs/dbraw/zinc/99/05/38/1066990538.db2.gz PGQFLMYTNRKOKZ-UHFFFAOYSA-N 1 0 450.608 4.450 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC3(c4ccc(Br)cc4)CCC3)c2)CC1 ZINC001318279753 1066999399 /nfs/dbraw/zinc/99/93/99/1066999399.db2.gz DPARBAYLHHCPHX-UHFFFAOYSA-N 1 0 471.443 4.075 20 0 JIADRO CC(C)c1ccc(OC2CCN(C(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001318279979 1066999510 /nfs/dbraw/zinc/99/95/10/1066999510.db2.gz DEVIRIOOZAHGNZ-UHFFFAOYSA-N 1 0 464.654 4.310 20 0 JIADRO C[C@@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cc(F)c(Cl)cc1Cl ZINC001318280754 1066999847 /nfs/dbraw/zinc/99/98/47/1066999847.db2.gz MVOSXWXEVGFOJM-OAHLLOKOSA-N 1 0 453.389 4.440 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC001318305925 1067009635 /nfs/dbraw/zinc/00/96/35/1067009635.db2.gz JQEUXYBFDPDWQE-VWLOTQADSA-N 1 0 467.617 4.391 20 0 JIADRO O=C(c1nc(Br)ccc1Br)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001350856830 1067010718 /nfs/dbraw/zinc/01/07/18/1067010718.db2.gz SQWKPYJQQLLQCV-ZDUSSCGKSA-N 1 0 451.162 4.231 20 0 JIADRO COc1ccc(-c2ccc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c(F)c2)c(F)c1 ZINC001318308659 1067010717 /nfs/dbraw/zinc/01/07/17/1067010717.db2.gz SNYPLCHVOFMVDM-UHFFFAOYSA-N 1 0 451.517 4.322 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001350859284 1067010897 /nfs/dbraw/zinc/01/08/97/1067010897.db2.gz QSGFXCJSJBAGGN-OAHLLOKOSA-N 1 0 455.360 4.052 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCOC(F)(F)F ZINC001300683320 1067019687 /nfs/dbraw/zinc/01/96/87/1067019687.db2.gz IRYJCUKXAIIXOE-UHFFFAOYSA-N 1 0 485.576 4.180 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001300684325 1067023155 /nfs/dbraw/zinc/02/31/55/1067023155.db2.gz SOQOREVOXBYJIB-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO C[C@@H](NC(=O)CSc1ccc(Br)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318345825 1067026194 /nfs/dbraw/zinc/02/61/94/1067026194.db2.gz LFTBSVYJXQPWLU-OAHLLOKOSA-N 1 0 466.420 4.310 20 0 JIADRO COc1ccc([C@H](CNC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[NH+]2CCCCC2)cc1 ZINC001351032386 1067035057 /nfs/dbraw/zinc/03/50/57/1067035057.db2.gz ADGNANJNSVVQMG-VXKWHMMOSA-N 1 0 459.949 4.324 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccccc3COCc3ccccc3)c2)CC1 ZINC001318458553 1067044957 /nfs/dbraw/zinc/04/49/57/1067044957.db2.gz OGLONNUSRONICW-UHFFFAOYSA-N 1 0 458.606 4.473 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001318479721 1067047628 /nfs/dbraw/zinc/04/76/28/1067047628.db2.gz VEFJPRFOLKXSLL-AUSIDOKSSA-N 1 0 485.650 4.400 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)C2)ccn1 ZINC001351117870 1067048000 /nfs/dbraw/zinc/04/80/00/1067048000.db2.gz QPUGVCGYITZZLK-VWLOTQADSA-N 1 0 498.631 4.237 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC001318509287 1067050086 /nfs/dbraw/zinc/05/00/86/1067050086.db2.gz JIIBJNIKZVAERL-HZPDHXFCSA-N 1 0 466.470 4.147 20 0 JIADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC001318532624 1067050733 /nfs/dbraw/zinc/05/07/33/1067050733.db2.gz ZNZKIVZZDZSMGB-UHFFFAOYSA-N 1 0 470.552 4.023 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@@H](COc3ccccc3)c3ccccc3)c2)CC1 ZINC001318598379 1067055292 /nfs/dbraw/zinc/05/52/92/1067055292.db2.gz LQOMNCJHROMQMU-MHZLTWQESA-N 1 0 458.606 4.054 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001354712650 1067056901 /nfs/dbraw/zinc/05/69/01/1067056901.db2.gz FGYVIYJTLCJVEE-UHFFFAOYSA-N 1 0 459.413 4.150 20 0 JIADRO CCOc1cc(C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)ccc1OCc1ccccc1 ZINC001318630602 1067057827 /nfs/dbraw/zinc/05/78/27/1067057827.db2.gz WNLYXUUQEGEZDK-MHZLTWQESA-N 1 0 459.546 4.009 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001319116170 1067068262 /nfs/dbraw/zinc/06/82/62/1067068262.db2.gz ZFGVEHAFUHUTQQ-WOJBJXKFSA-N 1 0 472.589 4.447 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC001351297700 1067072344 /nfs/dbraw/zinc/07/23/44/1067072344.db2.gz FCINGFFYOAUWPB-AWEZNQCLSA-N 1 0 454.800 4.031 20 0 JIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738690 1067072660 /nfs/dbraw/zinc/07/26/60/1067072660.db2.gz WNSMXCMJOYTOGC-NBMRYCAZSA-N 1 0 452.393 4.296 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC001351299191 1067073348 /nfs/dbraw/zinc/07/33/48/1067073348.db2.gz ZOOBSDKUJRLKCN-MNLRITNHSA-N 1 0 450.023 4.175 20 0 JIADRO CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001320672875 1067090858 /nfs/dbraw/zinc/09/08/58/1067090858.db2.gz GSLHKQLUOWEPLL-AREMUKBSSA-N 1 0 490.673 4.129 20 0 JIADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)c1 ZINC001321580527 1067169972 /nfs/dbraw/zinc/16/99/72/1067169972.db2.gz JAOYQBGVNGKMLE-UHFFFAOYSA-N 1 0 463.390 4.412 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001321636153 1067185265 /nfs/dbraw/zinc/18/52/65/1067185265.db2.gz BQFOULFMEXCHHI-UHFFFAOYSA-N 1 0 470.061 4.004 20 0 JIADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001321643366 1067187986 /nfs/dbraw/zinc/18/79/86/1067187986.db2.gz OYACADNGSMHVPB-UHFFFAOYSA-N 1 0 478.618 4.429 20 0 JIADRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)cc(Br)c1OCC(=O)N(C)C ZINC001321651294 1067189409 /nfs/dbraw/zinc/18/94/09/1067189409.db2.gz VZIZRWUPLSFZSL-CQSZACIVSA-N 1 0 453.377 4.375 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492578905 1067191674 /nfs/dbraw/zinc/19/16/74/1067191674.db2.gz ALTPPYRIJCKRKN-VSKRKVRLSA-N 1 0 469.674 4.069 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001300735106 1067191773 /nfs/dbraw/zinc/19/17/73/1067191773.db2.gz HOEBWSUIMJYFHZ-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[NH+](CC2CC2)CC1 ZINC001200800478 1067194776 /nfs/dbraw/zinc/19/47/76/1067194776.db2.gz UTQHSTWNDFKAFW-UHFFFAOYSA-N 1 0 451.203 4.075 20 0 JIADRO COc1cccc([C@@H](CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)c1 ZINC001321692091 1067198484 /nfs/dbraw/zinc/19/84/84/1067198484.db2.gz WMKYNAVIAKLRSB-AHKZPQOWSA-N 1 0 473.621 4.454 20 0 JIADRO CCC[NH+]1C[C@@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]2C1 ZINC001200801077 1067198864 /nfs/dbraw/zinc/19/88/64/1067198864.db2.gz DKSKKVQMVHAWIU-GHMZBOCLSA-N 1 0 465.230 4.321 20 0 JIADRO O=C(Cc1ccccc1N1CCCC1=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351776761 1067201908 /nfs/dbraw/zinc/20/19/08/1067201908.db2.gz PJKNVMJNOXVDDN-UHFFFAOYSA-N 1 0 459.512 4.109 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)no2)CC1 ZINC001351779129 1067203253 /nfs/dbraw/zinc/20/32/53/1067203253.db2.gz DPTUIXDQKKGWAP-QGZVFWFLSA-N 1 0 452.530 4.122 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001321725285 1067203272 /nfs/dbraw/zinc/20/32/72/1067203272.db2.gz NQPYACOJFLJRSZ-ROUUACIJSA-N 1 0 483.638 4.128 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001321725284 1067203805 /nfs/dbraw/zinc/20/38/05/1067203805.db2.gz NQPYACOJFLJRSZ-QZTJIDSGSA-N 1 0 483.638 4.128 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001351780063 1067203839 /nfs/dbraw/zinc/20/38/39/1067203839.db2.gz IYOKRBDREYIHBG-RBUKOAKNSA-N 1 0 457.590 4.041 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492549281 1067211310 /nfs/dbraw/zinc/21/13/10/1067211310.db2.gz WLTSIWHJIUFUTO-TZIWHRDSSA-N 1 0 453.587 4.065 20 0 JIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC001321835228 1067216659 /nfs/dbraw/zinc/21/66/59/1067216659.db2.gz ZPUCMBIHMFSECR-JOCHJYFZSA-N 1 0 455.599 4.471 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300740275 1067217854 /nfs/dbraw/zinc/21/78/54/1067217854.db2.gz VDHAFGJQUDFVHK-FXAWDEMLSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300740277 1067218094 /nfs/dbraw/zinc/21/80/94/1067218094.db2.gz VDHAFGJQUDFVHK-XLIONFOSSA-N 1 0 476.463 4.443 20 0 JIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001322149133 1067257252 /nfs/dbraw/zinc/25/72/52/1067257252.db2.gz XOSOIMJQPCIYQZ-UHFFFAOYSA-N 1 0 488.632 4.280 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001200814539 1067271191 /nfs/dbraw/zinc/27/11/91/1067271191.db2.gz YARRSQBPHWRPNW-OAQYLSRUSA-N 1 0 451.489 4.469 20 0 JIADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001352081621 1067282470 /nfs/dbraw/zinc/28/24/70/1067282470.db2.gz SVSFKWBFDJQFSB-LSDHHAIUSA-N 1 0 451.792 4.433 20 0 JIADRO Cc1c(NC(=O)C[NH2+]C(C)(C)C)cccc1NC(=O)c1ccccc1I ZINC001322393931 1067286040 /nfs/dbraw/zinc/28/60/40/1067286040.db2.gz REHBEQIPAMDXGZ-UHFFFAOYSA-N 1 0 465.335 4.179 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300757910 1067289744 /nfs/dbraw/zinc/28/97/44/1067289744.db2.gz OGKLSTKUFWUTJG-WMZOPIPTSA-N 1 0 479.467 4.161 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCCC2)C1 ZINC001300759129 1067294267 /nfs/dbraw/zinc/29/42/67/1067294267.db2.gz GENMGKBXUFLPGZ-GOSISDBHSA-N 1 0 462.436 4.199 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001300759399 1067294684 /nfs/dbraw/zinc/29/46/84/1067294684.db2.gz IOGXFCCFXQJGGC-RXVVDRJESA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC[N@H+](C)C(C)C)C1 ZINC001300761017 1067299661 /nfs/dbraw/zinc/29/96/61/1067299661.db2.gz PIFOIADFSSPDDB-NRFANRHFSA-N 1 0 453.587 4.073 20 0 JIADRO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c2c1 ZINC001322565312 1067303057 /nfs/dbraw/zinc/30/30/57/1067303057.db2.gz LMWPMNOMJXMFDS-UHFFFAOYSA-N 1 0 451.574 4.287 20 0 JIADRO CCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352174608 1067305846 /nfs/dbraw/zinc/30/58/46/1067305846.db2.gz DINUUXIBFFTVDV-JOCHJYFZSA-N 1 0 453.583 4.179 20 0 JIADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352204837 1067309927 /nfs/dbraw/zinc/30/99/27/1067309927.db2.gz YTYCFCWLLPUYPB-MRXNPFEDSA-N 1 0 457.500 4.192 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CC(=O)N(C)c5ccccc54)cc3)CC2)c1 ZINC001322844768 1067310083 /nfs/dbraw/zinc/31/00/83/1067310083.db2.gz GXBICJYUDYYOPW-AREMUKBSSA-N 1 0 468.601 4.406 20 0 JIADRO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001323180152 1067315595 /nfs/dbraw/zinc/31/55/95/1067315595.db2.gz UWYIWTPFYPKVSR-UHFFFAOYSA-N 1 0 482.934 4.052 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC001323297476 1067317794 /nfs/dbraw/zinc/31/77/94/1067317794.db2.gz OFENTTZUJRRXTL-AREMUKBSSA-N 1 0 473.621 4.235 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001323352801 1067318796 /nfs/dbraw/zinc/31/87/96/1067318796.db2.gz VNYNJEWBBUUGCI-PKOBYXMFSA-N 1 0 450.004 4.330 20 0 JIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001323369328 1067319081 /nfs/dbraw/zinc/31/90/81/1067319081.db2.gz LZSYXZVGJQNPQV-IBGZPJMESA-N 1 0 450.004 4.159 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001492495238 1067322826 /nfs/dbraw/zinc/32/28/26/1067322826.db2.gz SNLGRUNTIRQOMW-FQEVSTJZSA-N 1 0 465.621 4.011 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC001354993930 1067324750 /nfs/dbraw/zinc/32/47/50/1067324750.db2.gz SOQOEQMMUVTUSP-HXUWFJFHSA-N 1 0 455.624 4.172 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492496342 1067329733 /nfs/dbraw/zinc/32/97/33/1067329733.db2.gz RUEKLSFLHIRJLI-FQEVSTJZSA-N 1 0 467.687 4.181 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(Cl)ncc2Br)[NH+]2CCCCC2)cc1 ZINC001352317025 1067330790 /nfs/dbraw/zinc/33/07/90/1067330790.db2.gz IYLWDCSURRXZMB-GOSISDBHSA-N 1 0 452.780 4.463 20 0 JIADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001475095406 1067332469 /nfs/dbraw/zinc/33/24/69/1067332469.db2.gz KUCJEOMNZKOPMZ-OAQYLSRUSA-N 1 0 453.052 4.315 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CCSC)CC1 ZINC001300781779 1067337661 /nfs/dbraw/zinc/33/76/61/1067337661.db2.gz CZRYONHMLALGEQ-KRWDZBQOSA-N 1 0 481.110 4.461 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300000856 1067337909 /nfs/dbraw/zinc/33/79/09/1067337909.db2.gz MMHGLDVBTIIFGU-INIZCTEOSA-N 1 0 469.533 4.325 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001300782302 1067338774 /nfs/dbraw/zinc/33/87/74/1067338774.db2.gz KWXAQUXQFYDJRM-HSZRJFAPSA-N 1 0 469.674 4.357 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001300782320 1067338818 /nfs/dbraw/zinc/33/88/18/1067338818.db2.gz LFVOZLUCBTXTIZ-UHFFFAOYSA-N 1 0 452.647 4.412 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492497962 1067340159 /nfs/dbraw/zinc/34/01/59/1067340159.db2.gz NOMOGXHLOSHCHF-ZJSXRUAMSA-N 1 0 462.642 4.245 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001300783266 1067340871 /nfs/dbraw/zinc/34/08/71/1067340871.db2.gz AIRMXCIWIPMKRM-BXXSPATCSA-N 1 0 455.647 4.115 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001300783495 1067341189 /nfs/dbraw/zinc/34/11/89/1067341189.db2.gz YEPMAIRWQDAXII-UHFFFAOYSA-N 1 0 471.646 4.434 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(C)C)CC1 ZINC001300783463 1067341338 /nfs/dbraw/zinc/34/13/38/1067341338.db2.gz WXNZYJMJDVUDCI-UHFFFAOYSA-N 1 0 481.483 4.028 20 0 JIADRO NC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001355020697 1067342114 /nfs/dbraw/zinc/34/21/14/1067342114.db2.gz LRQWSIMJXBIVPN-FCHUYYIVSA-N 1 0 451.929 4.432 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001300784591 1067344094 /nfs/dbraw/zinc/34/40/94/1067344094.db2.gz KUPSIVNVJINMTC-RTWAWAEBSA-N 1 0 478.682 4.084 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001300784746 1067344421 /nfs/dbraw/zinc/34/44/21/1067344421.db2.gz DUMHUVLIAXCFLW-HXUWFJFHSA-N 1 0 480.632 4.490 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N(C)CC(F)(F)F)CC1 ZINC001300784871 1067344823 /nfs/dbraw/zinc/34/48/23/1067344823.db2.gz GORMBNNVAKBXEM-UHFFFAOYSA-N 1 0 453.553 4.065 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CC[NH+]2CCSCC2)c(OC)c1 ZINC001300003034 1067345646 /nfs/dbraw/zinc/34/56/46/1067345646.db2.gz XORJWYGORIRPNI-UHFFFAOYSA-N 1 0 494.086 4.362 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)C2)CC1 ZINC001300785168 1067345874 /nfs/dbraw/zinc/34/58/74/1067345874.db2.gz CIJYEFNJUILCAP-GOSISDBHSA-N 1 0 494.105 4.342 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3C[C@H](C(F)(F)F)O[C@@H](C)C3)CCCC2)CC1 ZINC001300786018 1067348177 /nfs/dbraw/zinc/34/81/77/1067348177.db2.gz IIPUOFIEGQLIET-AZUAARDMSA-N 1 0 487.611 4.056 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)CCCOc3ccc(F)cc3)CCCC2)CC1 ZINC001300786496 1067348857 /nfs/dbraw/zinc/34/88/57/1067348857.db2.gz NEVICNSURYGUBY-UHFFFAOYSA-N 1 0 459.610 4.055 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(C)c2F)cc1 ZINC001352354887 1067349179 /nfs/dbraw/zinc/34/91/79/1067349179.db2.gz LEHBZDPDJOXKCD-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N(C)OC2CCCC2)CC1 ZINC001300786846 1067349969 /nfs/dbraw/zinc/34/99/69/1067349969.db2.gz QUWYGJRPOLHDPF-UHFFFAOYSA-N 1 0 471.646 4.365 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300004943 1067350839 /nfs/dbraw/zinc/35/08/39/1067350839.db2.gz AKWIRCXIJYKJJF-XEVCZEQESA-N 1 0 459.610 4.267 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001300787586 1067352109 /nfs/dbraw/zinc/35/21/09/1067352109.db2.gz VHIHDTPWOINPIK-FGZHOGPDSA-N 1 0 493.737 4.337 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300005812 1067353141 /nfs/dbraw/zinc/35/31/41/1067353141.db2.gz JDPPSMWAOJMMNP-CJAUYULYSA-N 1 0 452.603 4.397 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001300005940 1067354089 /nfs/dbraw/zinc/35/40/89/1067354089.db2.gz IGZOUIUHQXFPCJ-JSOIOWGOSA-N 1 0 459.610 4.411 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001300009053 1067360050 /nfs/dbraw/zinc/36/00/50/1067360050.db2.gz MOERCUCJBJMHMI-INIZCTEOSA-N 1 0 462.436 4.437 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001300011103 1067364498 /nfs/dbraw/zinc/36/44/98/1067364498.db2.gz VHVZWNVVLWNOJJ-FQEVSTJZSA-N 1 0 471.646 4.090 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)ccc1OC ZINC001352383758 1067366871 /nfs/dbraw/zinc/36/68/71/1067366871.db2.gz VQNCRVZTVRMKII-MRXNPFEDSA-N 1 0 454.493 4.147 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001300013182 1067368673 /nfs/dbraw/zinc/36/86/73/1067368673.db2.gz LZMFSPHWDHZUCK-UHFFFAOYSA-N 1 0 473.662 4.336 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492554798 1067371784 /nfs/dbraw/zinc/37/17/84/1067371784.db2.gz WQIPHPGOAHABFL-HBMCJLEFSA-N 1 0 463.630 4.129 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492555215 1067375113 /nfs/dbraw/zinc/37/51/13/1067375113.db2.gz GMAJAFXKGMORQM-YADHBBJMSA-N 1 0 452.647 4.027 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001300017162 1067377940 /nfs/dbraw/zinc/37/79/40/1067377940.db2.gz KVWUCMYYQPXVHX-IRXDYDNUSA-N 1 0 480.451 4.472 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001300017161 1067377991 /nfs/dbraw/zinc/37/79/91/1067377991.db2.gz KVWUCMYYQPXVHX-IAGOWNOFSA-N 1 0 480.451 4.472 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300017198 1067378325 /nfs/dbraw/zinc/37/83/25/1067378325.db2.gz MLQQIGMVSCSNSB-FGZHOGPDSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300017731 1067380354 /nfs/dbraw/zinc/38/03/54/1067380354.db2.gz USSLSRCLACZNNM-QFIPXVFZSA-N 1 0 457.619 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492581569 1067385921 /nfs/dbraw/zinc/38/59/21/1067385921.db2.gz JWKXPWZFSMSHMY-ZCYQVOJMSA-N 1 0 453.675 4.407 20 0 JIADRO O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001355199266 1067388414 /nfs/dbraw/zinc/38/84/14/1067388414.db2.gz YKFQJBXZZGARJB-UHFFFAOYSA-N 1 0 452.942 4.496 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001300023296 1067391668 /nfs/dbraw/zinc/39/16/68/1067391668.db2.gz FAJIKVQIFZOJFS-CALCHBBNSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC[NH+]2CCSCC2)cc1Br ZINC001300023233 1067391810 /nfs/dbraw/zinc/39/18/10/1067391810.db2.gz JGPCZHLRXYQRBJ-SJORKVTESA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300024294 1067393896 /nfs/dbraw/zinc/39/38/96/1067393896.db2.gz ODHOSSICKKJVRM-UXHICEINSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027453 1067402443 /nfs/dbraw/zinc/40/24/43/1067402443.db2.gz OWXVJZGTJJCBLP-HOTGVXAUSA-N 1 0 467.536 4.224 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001300027865 1067403426 /nfs/dbraw/zinc/40/34/26/1067403426.db2.gz WJDOJALFSQKIAZ-SJLPKXTDSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001300032924 1067429495 /nfs/dbraw/zinc/42/94/95/1067429495.db2.gz JEZGLLOWGABLGV-KRWDZBQOSA-N 1 0 490.446 4.326 20 0 JIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC001355375937 1067437977 /nfs/dbraw/zinc/43/79/77/1067437977.db2.gz ORJIPKHRABPBHV-OAHLLOKOSA-N 1 0 450.343 4.008 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001300035035 1067440623 /nfs/dbraw/zinc/44/06/23/1067440623.db2.gz WSKYEHXLELDHFA-JOCHJYFZSA-N 1 0 499.603 4.178 20 0 JIADRO CCCCN(C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001355395626 1067447400 /nfs/dbraw/zinc/44/74/00/1067447400.db2.gz GBMRFAQRSZWVNY-UHFFFAOYSA-N 1 0 455.640 4.064 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001300038584 1067451902 /nfs/dbraw/zinc/45/19/02/1067451902.db2.gz RBVSEIRVJLUANO-NRFANRHFSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1OC ZINC001300040282 1067461220 /nfs/dbraw/zinc/46/12/20/1067461220.db2.gz KFTBTPSZIGAPHE-IFMALSPDSA-N 1 0 485.673 4.334 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC001355427345 1067461988 /nfs/dbraw/zinc/46/19/88/1067461988.db2.gz VLCKSGYUHCLVQG-UPVQGACJSA-N 1 0 455.002 4.029 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300040767 1067464580 /nfs/dbraw/zinc/46/45/80/1067464580.db2.gz BUEGRXIWUMQHCG-NHCUHLMSSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300041318 1067469156 /nfs/dbraw/zinc/46/91/56/1067469156.db2.gz DAKJHGSPCIQAFK-QGZVFWFLSA-N 1 0 484.389 4.292 20 0 JIADRO C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001355480983 1067484136 /nfs/dbraw/zinc/48/41/36/1067484136.db2.gz PTWFPDMSRIYLLA-GOSISDBHSA-N 1 0 453.974 4.170 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@H]43)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300047766 1067501385 /nfs/dbraw/zinc/50/13/85/1067501385.db2.gz JXWWJYJMIZPKSU-QFBILLFUSA-N 1 0 462.436 4.435 20 0 JIADRO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001355534717 1067502317 /nfs/dbraw/zinc/50/23/17/1067502317.db2.gz ZBWDBJSPRFASID-AREMUKBSSA-N 1 0 453.583 4.144 20 0 JIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC001200069360 1067506913 /nfs/dbraw/zinc/50/69/13/1067506913.db2.gz GWHJDMRXBFFQIM-UHFFFAOYSA-N 1 0 452.599 4.355 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300050902 1067511384 /nfs/dbraw/zinc/51/13/84/1067511384.db2.gz VYBABHWIVJSLLR-UPVQGACJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001300051113 1067513198 /nfs/dbraw/zinc/51/31/98/1067513198.db2.gz XXJQDFGFFWUPHN-IEBWSBKVSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300051156 1067513962 /nfs/dbraw/zinc/51/39/62/1067513962.db2.gz CTEJGZWJIZPBQL-IBVKSMDESA-N 1 0 471.646 4.232 20 0 JIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC001200071078 1067519038 /nfs/dbraw/zinc/51/90/38/1067519038.db2.gz SILGKKSPXUFUPW-HSZRJFAPSA-N 1 0 459.635 4.353 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300052405 1067522658 /nfs/dbraw/zinc/52/26/58/1067522658.db2.gz XAIIWRPZBZNZMB-KCWPFWIISA-N 1 0 485.673 4.478 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492582593 1067528038 /nfs/dbraw/zinc/52/80/38/1067528038.db2.gz MPMFDFPZWXJBBE-IBGZPJMESA-N 1 0 479.591 4.193 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CC(C)(C)OC)cc1OC ZINC001300054275 1067530984 /nfs/dbraw/zinc/53/09/84/1067530984.db2.gz RZDOJNPHTWILDR-OAQYLSRUSA-N 1 0 485.673 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300054560 1067533023 /nfs/dbraw/zinc/53/30/23/1067533023.db2.gz YBPBSTROTGTLAQ-FCHUYYIVSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001300055710 1067536540 /nfs/dbraw/zinc/53/65/40/1067536540.db2.gz AJJYMZMMCFNRJC-UHFFFAOYSA-N 1 0 462.436 4.438 20 0 JIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001355649835 1067541715 /nfs/dbraw/zinc/54/17/15/1067541715.db2.gz MXDMGMVYCSHUEU-UHFFFAOYSA-N 1 0 454.415 4.360 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300057352 1067545078 /nfs/dbraw/zinc/54/50/78/1067545078.db2.gz VCDJYERAMJBNJG-APWZRJJASA-N 1 0 492.462 4.062 20 0 JIADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCc2nncn2CC1)[NH+](C)C ZINC001355670397 1067547713 /nfs/dbraw/zinc/54/77/13/1067547713.db2.gz SVZWVSFCYVTEKV-PXNSSMCTSA-N 1 0 452.430 4.152 20 0 JIADRO COC(=O)c1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)n1C ZINC001355670135 1067547736 /nfs/dbraw/zinc/54/77/36/1067547736.db2.gz OXZUSISDEFETQJ-HXUWFJFHSA-N 1 0 454.398 4.347 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300058415 1067549987 /nfs/dbraw/zinc/54/99/87/1067549987.db2.gz CPRMWQVAMYLAFN-HXUWFJFHSA-N 1 0 473.687 4.416 20 0 JIADRO Cc1cc2cc(C[NH2+]C[C@H](O)COc3ccc(I)cc3)oc2cc1C ZINC001200078987 1067551722 /nfs/dbraw/zinc/55/17/22/1067551722.db2.gz YLNOEBCFQPDTMX-KRWDZBQOSA-N 1 0 451.304 4.184 20 0 JIADRO Cc1cc2cc(C[NH2+]C[C@@H](O)COc3ccc(I)cc3)oc2cc1C ZINC001200079001 1067552423 /nfs/dbraw/zinc/55/24/23/1067552423.db2.gz YLNOEBCFQPDTMX-QGZVFWFLSA-N 1 0 451.304 4.184 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC001200080496 1067558978 /nfs/dbraw/zinc/55/89/78/1067558978.db2.gz IBOONURTKZFELP-UHFFFAOYSA-N 1 0 453.587 4.009 20 0 JIADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1 ZINC001355735128 1067567531 /nfs/dbraw/zinc/56/75/31/1067567531.db2.gz KHDYBILMZUOAIV-QHCPKHFHSA-N 1 0 457.640 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2(C)CCCS2)c(OC)c1 ZINC001300071294 1067592917 /nfs/dbraw/zinc/59/29/17/1067592917.db2.gz RWPDFAWYXNWDOY-DEOSSOPVSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCC2(C)C)c(OC)c1 ZINC001300075976 1067602465 /nfs/dbraw/zinc/60/24/65/1067602465.db2.gz LGKUXIVFWNICNA-OAQYLSRUSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001300076152 1067602759 /nfs/dbraw/zinc/60/27/59/1067602759.db2.gz RNEGVRDXLHDOMV-IFMALSPDSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@](C)(O)c2ccsc2)cc1 ZINC001300076633 1067604377 /nfs/dbraw/zinc/60/43/77/1067604377.db2.gz VTZAIVLJJSEOAI-SANMLTNESA-N 1 0 483.682 4.481 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001300076767 1067604981 /nfs/dbraw/zinc/60/49/81/1067604981.db2.gz UAZKEZOIQZLLJV-XIFFEERXSA-N 1 0 475.703 4.059 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCOC2CCCCCC2)c(OC)c1 ZINC001300076854 1067604999 /nfs/dbraw/zinc/60/49/99/1067604999.db2.gz ZCDWMKLVXPOMJW-UHFFFAOYSA-N 1 0 485.673 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)SC)cc1 ZINC001300077201 1067606526 /nfs/dbraw/zinc/60/65/26/1067606526.db2.gz YGMLBUIICIILJH-SFTDATJTSA-N 1 0 486.730 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300078553 1067612856 /nfs/dbraw/zinc/61/28/56/1067612856.db2.gz JULZKHNROHQMDR-NHCUHLMSSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)cc1OC ZINC001300079401 1067614741 /nfs/dbraw/zinc/61/47/41/1067614741.db2.gz QOTGBXQZGRRLGE-VWLOTQADSA-N 1 0 485.673 4.336 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl ZINC001355952999 1067617444 /nfs/dbraw/zinc/61/74/44/1067617444.db2.gz URJGMCOHWQHSKS-UHFFFAOYSA-N 1 0 458.006 4.049 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300080679 1067617295 /nfs/dbraw/zinc/61/72/95/1067617295.db2.gz XLUASDOLMMBWAE-VQTJNVASSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1OC ZINC001300080638 1067617353 /nfs/dbraw/zinc/61/73/53/1067617353.db2.gz WHFHFTNAXOLIAP-UHFFFAOYSA-N 1 0 485.673 4.336 20 0 JIADRO Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC001200105665 1067629033 /nfs/dbraw/zinc/62/90/33/1067629033.db2.gz MCIYXFXLSYTRGH-GOSISDBHSA-N 1 0 456.384 4.445 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300088217 1067635653 /nfs/dbraw/zinc/63/56/53/1067635653.db2.gz DFPDCALMGZYGCD-UNMCSNQZSA-N 1 0 498.672 4.322 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300089132 1067639958 /nfs/dbraw/zinc/63/99/58/1067639958.db2.gz ODIDFALTMGOCKL-JQVVWYNYSA-N 1 0 477.600 4.038 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300089784 1067642463 /nfs/dbraw/zinc/64/24/63/1067642463.db2.gz QZELPOZLYABVKZ-CEXWTWQISA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300090923 1067648410 /nfs/dbraw/zinc/64/84/10/1067648410.db2.gz ZYKOJDBMYFZQHX-QWFCFKBJSA-N 1 0 461.676 4.269 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300098587 1067666611 /nfs/dbraw/zinc/66/66/11/1067666611.db2.gz MCZLKNSVVMKPFM-OFVILXPXSA-N 1 0 473.687 4.273 20 0 JIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001356183480 1067684215 /nfs/dbraw/zinc/68/42/15/1067684215.db2.gz IPTHQBHNXXCNJH-UHFFFAOYSA-N 1 0 453.530 4.267 20 0 JIADRO C[C@H](c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1)N1CCOCC1 ZINC001200122750 1067685770 /nfs/dbraw/zinc/68/57/70/1067685770.db2.gz VWDPFZUKDCBTBO-GOSISDBHSA-N 1 0 458.553 4.144 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC001300106921 1067695166 /nfs/dbraw/zinc/69/51/66/1067695166.db2.gz KNDFDPSJGHJDPR-NFBKMPQASA-N 1 0 485.673 4.336 20 0 JIADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)cc1 ZINC001200126978 1067704824 /nfs/dbraw/zinc/70/48/24/1067704824.db2.gz MHGFJJNAXUAKHQ-UHFFFAOYSA-N 1 0 450.354 4.281 20 0 JIADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001356251873 1067707451 /nfs/dbraw/zinc/70/74/51/1067707451.db2.gz XPLKPNGQKUABOV-NRFANRHFSA-N 1 0 451.449 4.369 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccco3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300111867 1067713148 /nfs/dbraw/zinc/71/31/48/1067713148.db2.gz RULCXEYYBBEBIQ-QHCPKHFHSA-N 1 0 451.615 4.422 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300114066 1067720649 /nfs/dbraw/zinc/72/06/49/1067720649.db2.gz PJZUQGLJGAZCSI-YADHBBJMSA-N 1 0 469.674 4.340 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327154 1067724837 /nfs/dbraw/zinc/72/48/37/1067724837.db2.gz DEXASMMRLXOYGX-GXTWGEPZSA-N 1 0 456.274 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300117588 1067728411 /nfs/dbraw/zinc/72/84/11/1067728411.db2.gz MDHTZWJJPAELQX-ZRZAMGCNSA-N 1 0 483.701 4.444 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC001356352464 1067733027 /nfs/dbraw/zinc/73/30/27/1067733027.db2.gz NBSUNXFCKOVMKQ-QGZVFWFLSA-N 1 0 452.530 4.122 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(F)(F)CC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300119459 1067733689 /nfs/dbraw/zinc/73/36/89/1067733689.db2.gz VDPYBHXNNXKOBP-HXUWFJFHSA-N 1 0 459.541 4.203 20 0 JIADRO CCn1ncnc1-c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001356376402 1067738409 /nfs/dbraw/zinc/73/84/09/1067738409.db2.gz XEXQFLDVRODCPL-UHFFFAOYSA-N 1 0 457.500 4.332 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCC[C@H](SC)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300122404 1067741082 /nfs/dbraw/zinc/74/10/82/1067741082.db2.gz APWMGDHAQPDJPQ-QFIPXVFZSA-N 1 0 459.704 4.382 20 0 JIADRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=S)Nc3ccc(C)cc3Br)CC2)C1 ZINC001200142995 1067744944 /nfs/dbraw/zinc/74/49/44/1067744944.db2.gz WBSBGRTYVKSDKH-MRXNPFEDSA-N 1 0 468.461 4.194 20 0 JIADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc4c[nH+]cn4c3C)cc2)c1C(F)(F)F ZINC001356441166 1067752338 /nfs/dbraw/zinc/75/23/38/1067752338.db2.gz JZXSAMNYCQPGJZ-UHFFFAOYSA-N 1 0 457.412 4.276 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001300126312 1067753063 /nfs/dbraw/zinc/75/30/63/1067753063.db2.gz LNGHMNAWADPTIJ-UHFFFAOYSA-N 1 0 468.671 4.231 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300126902 1067756304 /nfs/dbraw/zinc/75/63/04/1067756304.db2.gz WJUUOORLAGTRNZ-SZPZYZBQSA-N 1 0 483.701 4.444 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2F)cc1 ZINC001352841469 1067760426 /nfs/dbraw/zinc/76/04/26/1067760426.db2.gz CCUQCVVMXLADCD-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Br)c1 ZINC001200149133 1067763922 /nfs/dbraw/zinc/76/39/22/1067763922.db2.gz ROCHQYNLJHSWFJ-WIYYLYMNSA-N 1 0 475.456 4.072 20 0 JIADRO O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC001300129791 1067764993 /nfs/dbraw/zinc/76/49/93/1067764993.db2.gz PLIRVTSPDSFBHM-RTWAWAEBSA-N 1 0 456.384 4.448 20 0 JIADRO Cc1cc([C@H](CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001356508493 1067767544 /nfs/dbraw/zinc/76/75/44/1067767544.db2.gz ZMWOPFUQQQFSSE-SCTDSRPQSA-N 1 0 453.027 4.378 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001352860418 1067771680 /nfs/dbraw/zinc/77/16/80/1067771680.db2.gz ASOUCACATWPSMV-UHFFFAOYSA-N 1 0 453.436 4.005 20 0 JIADRO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001356551994 1067776525 /nfs/dbraw/zinc/77/65/25/1067776525.db2.gz ZFPCGGBZPYMKLG-WUMKDDEVSA-N 1 0 476.646 4.203 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ncoc2-c2ccc(F)cc2)ccc1Cl ZINC001356556560 1067777903 /nfs/dbraw/zinc/77/79/03/1067777903.db2.gz ZPSGROFSULOOQK-UHFFFAOYSA-N 1 0 458.921 4.458 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000849055771 1067786450 /nfs/dbraw/zinc/78/64/50/1067786450.db2.gz DZTAUIJRSIFCDQ-LBPRGKRZSA-N 1 0 463.456 4.461 20 0 JIADRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cn1 ZINC000849059101 1067789768 /nfs/dbraw/zinc/78/97/68/1067789768.db2.gz BGUGRWWQCBWWBF-UHFFFAOYSA-N 1 0 450.495 4.189 20 0 JIADRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000849062663 1067791515 /nfs/dbraw/zinc/79/15/15/1067791515.db2.gz APVZFNCLSLYKBZ-UHFFFAOYSA-N 1 0 462.573 4.471 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CC[N@@H+](C)C(C)C ZINC001492584683 1067798982 /nfs/dbraw/zinc/79/89/82/1067798982.db2.gz PZWISOCYMXDYBE-QFIPXVFZSA-N 1 0 466.605 4.099 20 0 JIADRO COc1cccc(N2CC[NH+](CCS[C@H](C(=O)N3CCc4ccccc43)C(C)C)CC2)c1 ZINC001473085950 1067801186 /nfs/dbraw/zinc/80/11/86/1067801186.db2.gz RSDMZXCEUMIMKU-VWLOTQADSA-N 1 0 453.652 4.164 20 0 JIADRO COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c(Cl)c1OC ZINC001300151726 1067808155 /nfs/dbraw/zinc/80/81/55/1067808155.db2.gz JDJXNXUVQQASRE-UHFFFAOYSA-N 1 0 499.059 4.098 20 0 JIADRO COc1ccc(CN(C)c2nnc(C)n2CC2CC[NH+](Cc3cccs3)CC2)c(OC)c1 ZINC001300160329 1067815763 /nfs/dbraw/zinc/81/57/63/1067815763.db2.gz DWSVDZXZWHMUPD-UHFFFAOYSA-N 1 0 455.628 4.214 20 0 JIADRO Cc1c(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001300162184 1067817190 /nfs/dbraw/zinc/81/71/90/1067817190.db2.gz IFKIOFDISWNVBP-HDICACEKSA-N 1 0 451.611 4.360 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300164177 1067821380 /nfs/dbraw/zinc/82/13/80/1067821380.db2.gz JLLZBUOXHIRXRP-FQEVSTJZSA-N 1 0 466.611 4.291 20 0 JIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001357248048 1067824606 /nfs/dbraw/zinc/82/46/06/1067824606.db2.gz IZBROBUJWQWXFZ-RTBURBONSA-N 1 0 453.421 4.492 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300169682 1067828094 /nfs/dbraw/zinc/82/80/94/1067828094.db2.gz JUZDTFGRJQSQKF-UNIVCBNLSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC(F)F ZINC001300169894 1067828305 /nfs/dbraw/zinc/82/83/05/1067828305.db2.gz LYWNOWYANYIXIP-RXVVDRJESA-N 1 0 493.599 4.498 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC001300176105 1067835387 /nfs/dbraw/zinc/83/53/87/1067835387.db2.gz HFTREZGULPXAHF-QFIPXVFZSA-N 1 0 480.632 4.416 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001300176109 1067835481 /nfs/dbraw/zinc/83/54/81/1067835481.db2.gz HHSFIUGEABKTOE-SZPZYZBQSA-N 1 0 492.668 4.105 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300176264 1067836021 /nfs/dbraw/zinc/83/60/21/1067836021.db2.gz NDEOEFUXNCOPHG-KDYSTLNUSA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1F ZINC001300178896 1067840403 /nfs/dbraw/zinc/84/04/03/1067840403.db2.gz HQXNWJFAJFUVJG-FYYLOGMGSA-N 1 0 459.610 4.424 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001200221908 1067864045 /nfs/dbraw/zinc/86/40/45/1067864045.db2.gz MWMATHRGWUEJPT-UHFFFAOYSA-N 1 0 450.450 4.315 20 0 JIADRO COc1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001300196329 1067864986 /nfs/dbraw/zinc/86/49/86/1067864986.db2.gz KPHAECCYJBRPMG-UHFFFAOYSA-N 1 0 499.457 4.470 20 0 JIADRO Cc1cccc(CO[C@H]2C[C@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@@H+]3C2)n1 ZINC001200223218 1067867330 /nfs/dbraw/zinc/86/73/30/1067867330.db2.gz UEGAIYLUQCVZOJ-SFTDATJTSA-N 1 0 489.483 4.441 20 0 JIADRO COc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC001300198532 1067868600 /nfs/dbraw/zinc/86/86/00/1067868600.db2.gz INFIFJWJYHUWEO-UHFFFAOYSA-N 1 0 485.430 4.080 20 0 JIADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357579130 1067873899 /nfs/dbraw/zinc/87/38/99/1067873899.db2.gz RTYITFLHCAZIIN-CQSZACIVSA-N 1 0 455.908 4.209 20 0 JIADRO Cc1cc(Br)c(F)c(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001357579047 1067873934 /nfs/dbraw/zinc/87/39/34/1067873934.db2.gz QQKCQDWVJALLGA-CQSZACIVSA-N 1 0 452.343 4.279 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001300206943 1067878672 /nfs/dbraw/zinc/87/86/72/1067878672.db2.gz UYGXHHALTMJZHR-YIXXDRMTSA-N 1 0 451.611 4.293 20 0 JIADRO COC(=O)[C@]1(NC(=S)Nc2c(C)cc(Br)cc2C)CC[N@H+](Cc2ccccc2)C1 ZINC001200239214 1067881715 /nfs/dbraw/zinc/88/17/15/1067881715.db2.gz VLIHSDYORRWXDJ-QFIPXVFZSA-N 1 0 476.440 4.170 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)C1 ZINC001357644925 1067881807 /nfs/dbraw/zinc/88/18/07/1067881807.db2.gz MJCSWBWPNSQELA-AWEZNQCLSA-N 1 0 450.764 4.052 20 0 JIADRO COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c2ccccc2)cc1 ZINC001300212131 1067882255 /nfs/dbraw/zinc/88/22/55/1067882255.db2.gz CBJBUDIJVCOGQT-VWLOTQADSA-N 1 0 452.514 4.366 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492559092 1067883792 /nfs/dbraw/zinc/88/37/92/1067883792.db2.gz QIOUJMKWJBUVFI-QFIPXVFZSA-N 1 0 469.655 4.453 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(C(F)(F)F)c1 ZINC001300215688 1067885663 /nfs/dbraw/zinc/88/56/63/1067885663.db2.gz DLWFNFRCUOEIBT-GOSISDBHSA-N 1 0 495.590 4.242 20 0 JIADRO CCNC(=O)COc1ccc(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cc1 ZINC001357767263 1067896097 /nfs/dbraw/zinc/89/60/97/1067896097.db2.gz ZMZMXYFXCJCTMI-NRFANRHFSA-N 1 0 451.489 4.242 20 0 JIADRO C[C@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357780033 1067898688 /nfs/dbraw/zinc/89/86/88/1067898688.db2.gz JBZGGCYPNFRNEA-GOEBONIOSA-N 1 0 452.311 4.071 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1F ZINC001300230332 1067907007 /nfs/dbraw/zinc/90/70/07/1067907007.db2.gz GQQFNYFJQJZTJW-HSZRJFAPSA-N 1 0 486.680 4.239 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001200269117 1067914254 /nfs/dbraw/zinc/91/42/54/1067914254.db2.gz XESWNQAJTHQJRX-UHFFFAOYSA-N 1 0 488.698 4.326 20 0 JIADRO COC(=O)CCN1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)[C@H](C)C1 ZINC001357839097 1067918432 /nfs/dbraw/zinc/91/84/32/1067918432.db2.gz VXZMSEXMXXKYRF-GOSISDBHSA-N 1 0 451.542 4.002 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001300237815 1067935360 /nfs/dbraw/zinc/93/53/60/1067935360.db2.gz PHJAJYLVGSKLHF-UHFFFAOYSA-N 1 0 455.006 4.047 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCCC1 ZINC001300238730 1067943032 /nfs/dbraw/zinc/94/30/32/1067943032.db2.gz UKFVXYDGESLHPX-UHFFFAOYSA-N 1 0 455.006 4.048 20 0 JIADRO CCCN(C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357959151 1067958985 /nfs/dbraw/zinc/95/89/85/1067958985.db2.gz GHJNJHUBADWBDA-FQEVSTJZSA-N 1 0 453.587 4.340 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001358032499 1067995101 /nfs/dbraw/zinc/99/51/01/1067995101.db2.gz YEDQTTIOYYLZKL-SANMLTNESA-N 1 0 451.636 4.425 20 0 JIADRO COc1ccc(CCCC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1OC ZINC001358051600 1068003970 /nfs/dbraw/zinc/00/39/70/1068003970.db2.gz YHEIBHFZPMQWKT-UHFFFAOYSA-N 1 0 453.583 4.480 20 0 JIADRO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358063502 1068006546 /nfs/dbraw/zinc/00/65/46/1068006546.db2.gz WYRLEBAAAGGTOH-NYLDSWQDSA-N 1 0 452.565 4.201 20 0 JIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001358077537 1068011810 /nfs/dbraw/zinc/01/18/10/1068011810.db2.gz MQFQOJRFJVLQPI-MRXNPFEDSA-N 1 0 457.981 4.322 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)C2(c3cccc(C)c3)CC2)cc1OC ZINC001358086109 1068016095 /nfs/dbraw/zinc/01/60/95/1068016095.db2.gz UGUBZVWHSZXCBH-UHFFFAOYSA-N 1 0 458.002 4.399 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)C(F)(F)c2ccccc2)cc1OC ZINC001358085814 1068016158 /nfs/dbraw/zinc/01/61/58/1068016158.db2.gz MWVMKQIUDPYBFC-UHFFFAOYSA-N 1 0 453.917 4.151 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2scnc2C(C)C)cc1OC ZINC001358085984 1068016182 /nfs/dbraw/zinc/01/61/82/1068016182.db2.gz QMVQSYWORWXXJA-UHFFFAOYSA-N 1 0 453.008 4.252 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC001300261148 1068024749 /nfs/dbraw/zinc/02/47/49/1068024749.db2.gz ODKRRJOBHBNKLF-HXUWFJFHSA-N 1 0 455.647 4.407 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC001358144028 1068029972 /nfs/dbraw/zinc/02/99/72/1068029972.db2.gz GDFWUSWDJBRFAC-WOJBJXKFSA-N 1 0 457.640 4.447 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300263702 1068030536 /nfs/dbraw/zinc/03/05/36/1068030536.db2.gz MRTKSRVHZBPTGO-UHFFFAOYSA-N 1 0 464.614 4.019 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccsc3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300263803 1068030938 /nfs/dbraw/zinc/03/09/38/1068030938.db2.gz QFPMEDQMDYTGIO-QHCPKHFHSA-N 1 0 473.668 4.001 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300266827 1068038921 /nfs/dbraw/zinc/03/89/21/1068038921.db2.gz JWPXCZARGYJHSQ-XMMPIXPASA-N 1 0 485.673 4.239 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001492563563 1068041544 /nfs/dbraw/zinc/04/15/44/1068041544.db2.gz GEFOAFQLKQUGBN-JOCHJYFZSA-N 1 0 482.673 4.481 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300270387 1068049042 /nfs/dbraw/zinc/04/90/42/1068049042.db2.gz SUIUBJYBKKGEEZ-SXWKCWPCSA-N 1 0 473.687 4.316 20 0 JIADRO Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)C4CC[NH+](C)CC4)c(=O)c23)cc1 ZINC001358282429 1068058873 /nfs/dbraw/zinc/05/88/73/1068058873.db2.gz BKNOBCCIJWSOQT-GOSISDBHSA-N 1 0 452.624 4.012 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2cc(Br)ccc2F)ccc1OC ZINC001358315354 1068065164 /nfs/dbraw/zinc/06/51/64/1068065164.db2.gz ZTLZGYDLJRPRDT-UHFFFAOYSA-N 1 0 453.352 4.499 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300279162 1068067055 /nfs/dbraw/zinc/06/70/55/1068067055.db2.gz WNWWNQVBEJZAKM-FGZHOGPDSA-N 1 0 483.657 4.300 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCC=CO2)cc1 ZINC001300279485 1068068035 /nfs/dbraw/zinc/06/80/35/1068068035.db2.gz BDHIMDXXBYHEJQ-DEOSSOPVSA-N 1 0 469.630 4.115 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1 ZINC001300279500 1068068185 /nfs/dbraw/zinc/06/81/85/1068068185.db2.gz BNLGODRPSPGCON-LVXARBLLSA-N 1 0 485.673 4.284 20 0 JIADRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001473366392 1068072235 /nfs/dbraw/zinc/07/22/35/1068072235.db2.gz SPJGKRLZHBYVGM-AZUAARDMSA-N 1 0 457.640 4.411 20 0 JIADRO C[NH+]1CCC([C@H]2CCN(C(=O)CC3(CNC(=O)OCc4ccccc4)CCCCC3)C2)CC1 ZINC001358380909 1068078564 /nfs/dbraw/zinc/07/85/64/1068078564.db2.gz NSKHFPUKNLSQSX-DEOSSOPVSA-N 1 0 455.643 4.444 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300284699 1068081390 /nfs/dbraw/zinc/08/13/90/1068081390.db2.gz LFJKTPDUTIWQSF-IMSXRSKXSA-N 1 0 485.673 4.378 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300285441 1068083928 /nfs/dbraw/zinc/08/39/28/1068083928.db2.gz VISCFYOHBSGLDV-RUZDIDTESA-N 1 0 471.646 4.136 20 0 JIADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001358449332 1068094324 /nfs/dbraw/zinc/09/43/24/1068094324.db2.gz KTANHRHGYCKASU-CCDWMCETSA-N 1 0 480.653 4.353 20 0 JIADRO Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001358457533 1068095576 /nfs/dbraw/zinc/09/55/76/1068095576.db2.gz ZQPHOXMYPQBTAI-UHFFFAOYSA-N 1 0 451.493 4.054 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1ccc([C@H]2CCC(=O)N2)cc1)c1cccc(Br)c1 ZINC001358456589 1068095993 /nfs/dbraw/zinc/09/59/93/1068095993.db2.gz GVJKRTXXUZFMEE-OAQYLSRUSA-N 1 0 458.400 4.389 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](c2cccnc2)C(C)C)cc1 ZINC001300293466 1068101807 /nfs/dbraw/zinc/10/18/07/1068101807.db2.gz AFWIBJCTXBMKRW-RUZDIDTESA-N 1 0 478.641 4.231 20 0 JIADRO C[NH+](C)CCc1ccc(NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001358489165 1068113135 /nfs/dbraw/zinc/11/31/35/1068113135.db2.gz LMBKPUCMEKPADD-QHCPKHFHSA-N 1 0 450.583 4.347 20 0 JIADRO CCOc1ncc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1Cl ZINC001358501422 1068125360 /nfs/dbraw/zinc/12/53/60/1068125360.db2.gz WJGJEBMBYPVKMG-UHFFFAOYSA-N 1 0 451.958 4.103 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300297965 1068133098 /nfs/dbraw/zinc/13/30/98/1068133098.db2.gz SAXGFWDWTCFGCX-FHAGJXEFSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001300304260 1068155058 /nfs/dbraw/zinc/15/50/58/1068155058.db2.gz GYEBDRQIJVRYJF-KDURUIRLSA-N 1 0 465.589 4.324 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCC(O)(Cc3ccccc3F)CC2)[C@@H](O)c2ccccc21 ZINC001473432526 1068173636 /nfs/dbraw/zinc/17/36/36/1068173636.db2.gz MVPPCURYMYLAAQ-GOTSBHOMSA-N 1 0 456.558 4.052 20 0 JIADRO Cc1cc(C)n2nc(NC(=O)N(CCC[NH+](C)C)Cc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000510634474 1068175103 /nfs/dbraw/zinc/17/51/03/1068175103.db2.gz KEYFMFVUJKLPMI-UHFFFAOYSA-N 1 0 450.374 4.034 20 0 JIADRO CCCc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)nnn1-c1cccc(C(C)C)c1 ZINC001353479069 1068185287 /nfs/dbraw/zinc/18/52/87/1068185287.db2.gz BILCZRMSRWJNGR-UHFFFAOYSA-N 1 0 455.672 4.435 20 0 JIADRO COc1ccc(-c2nc(NC(=O)CN3CC[N@H+](Cc4ccccc4)[C@H](C)C3)sc2C)cc1 ZINC001473548379 1068242051 /nfs/dbraw/zinc/24/20/51/1068242051.db2.gz WWNQXCDPSGTUCV-GOSISDBHSA-N 1 0 450.608 4.272 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200365253 1068255473 /nfs/dbraw/zinc/25/54/73/1068255473.db2.gz ZRIQMALMGUGZGB-AWEZNQCLSA-N 1 0 450.370 4.493 20 0 JIADRO COCCSCCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822700 1068285808 /nfs/dbraw/zinc/28/58/08/1068285808.db2.gz KMWONEKLMZVGNY-UXHICEINSA-N 1 0 450.645 4.386 20 0 JIADRO CC[NH+]1CCN(Cc2ccccc2CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000613459995 1068288972 /nfs/dbraw/zinc/28/89/72/1068288972.db2.gz BNOFYZBXSVCVEV-UHFFFAOYSA-N 1 0 450.587 4.347 20 0 JIADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335391 1068307014 /nfs/dbraw/zinc/30/70/14/1068307014.db2.gz RHZNBGCYRBPQDQ-VWNXMTODSA-N 1 0 498.672 4.268 20 0 JIADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001353545680 1068312728 /nfs/dbraw/zinc/31/27/28/1068312728.db2.gz ALAAYQZEGUVDEE-UXHICEINSA-N 1 0 457.640 4.068 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300338257 1068315437 /nfs/dbraw/zinc/31/54/37/1068315437.db2.gz ANRAJDVDZKXQIB-SELNLUPBSA-N 1 0 484.595 4.303 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)[NH+](C)C)c1 ZINC001300338945 1068318134 /nfs/dbraw/zinc/31/81/34/1068318134.db2.gz FNWGOFOPRAMNPS-UPVQGACJSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339417 1068319508 /nfs/dbraw/zinc/31/95/08/1068319508.db2.gz HNVKOUABHPNVIH-GMAHTHKFSA-N 1 0 498.716 4.309 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)[NH+](C)C)c1 ZINC001300341541 1068328610 /nfs/dbraw/zinc/32/86/10/1068328610.db2.gz SCDSMKKBMUWBJD-PXNSSMCTSA-N 1 0 476.046 4.445 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Nc3cccnn3)CC2)[NH+](C)C)c1 ZINC001300341852 1068329570 /nfs/dbraw/zinc/32/95/70/1068329570.db2.gz TWKPCXQZGBWHGM-QHCPKHFHSA-N 1 0 492.672 4.049 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)OC2CCCC2)[NH+](C)C)c1 ZINC001300342262 1068330851 /nfs/dbraw/zinc/33/08/51/1068330851.db2.gz VHFUXJUWVIDWDM-QFIPXVFZSA-N 1 0 470.643 4.256 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000523446445 1068345278 /nfs/dbraw/zinc/34/52/78/1068345278.db2.gz JFVAWEBMODHZFC-UHFFFAOYSA-N 1 0 483.638 4.104 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1 ZINC000523723605 1068347177 /nfs/dbraw/zinc/34/71/77/1068347177.db2.gz BTSCUPPMSKLVTD-UHFFFAOYSA-N 1 0 493.409 4.241 20 0 JIADRO C[C@@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001353590586 1068355050 /nfs/dbraw/zinc/35/50/50/1068355050.db2.gz FKGDEWZDHURGCK-XAXKJMDRSA-N 1 0 451.611 4.248 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC001474123288 1068357381 /nfs/dbraw/zinc/35/73/81/1068357381.db2.gz NMHJYDHTZJTSOP-UHFFFAOYSA-N 1 0 450.748 4.434 20 0 JIADRO Fc1cc(Br)ccc1CCC[NH2+]Cc1ncc(I)s1 ZINC001200413277 1068442166 /nfs/dbraw/zinc/44/21/66/1068442166.db2.gz XALMOPPCZBGYMZ-UHFFFAOYSA-N 1 0 455.134 4.372 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300379370 1068463879 /nfs/dbraw/zinc/46/38/79/1068463879.db2.gz SYMGNWAZJQMDOM-FYYLOGMGSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@](C)(O)c2cccs2)c1 ZINC001300387792 1068493683 /nfs/dbraw/zinc/49/36/83/1068493683.db2.gz BQIFICXYHUVDJO-SANMLTNESA-N 1 0 483.682 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001300389479 1068500249 /nfs/dbraw/zinc/50/02/49/1068500249.db2.gz OTKAXYROBBRMED-UMSFTDKQSA-N 1 0 487.714 4.203 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCCOC(F)(F)F)c1 ZINC001300390220 1068503651 /nfs/dbraw/zinc/50/36/51/1068503651.db2.gz UXTNZXAPEQXHGP-UHFFFAOYSA-N 1 0 495.571 4.306 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300390302 1068505861 /nfs/dbraw/zinc/50/58/61/1068505861.db2.gz WEZLSIVNYGYMQN-WOJBJXKFSA-N 1 0 494.606 4.149 20 0 JIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001353733682 1068524414 /nfs/dbraw/zinc/52/44/14/1068524414.db2.gz AIEFYZFSALLOSM-QFIPXVFZSA-N 1 0 453.583 4.049 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)c2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200432900 1068526013 /nfs/dbraw/zinc/52/60/13/1068526013.db2.gz GGBWOBXCXMIQMP-UHFFFAOYSA-N 1 0 480.650 4.376 20 0 JIADRO S=C(NCC[NH+]1CCCCC1)Nc1ccc(Cl)c(Cl)c1I ZINC001200433288 1068530523 /nfs/dbraw/zinc/53/05/23/1068530523.db2.gz JTTJEEBANMZJLT-UHFFFAOYSA-N 1 0 458.196 4.370 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300396166 1068534142 /nfs/dbraw/zinc/53/41/42/1068534142.db2.gz YRWUQAWQODIFNB-DEOSSOPVSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300398372 1068543524 /nfs/dbraw/zinc/54/35/24/1068543524.db2.gz PDFMVWSTSSSUAU-QUCCMNQESA-N 1 0 459.545 4.450 20 0 JIADRO Cc1ccc(C)c(SCC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC001353763436 1068560893 /nfs/dbraw/zinc/56/08/93/1068560893.db2.gz HXQWPNGSUQDJGY-UHFFFAOYSA-N 1 0 451.558 4.483 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300405045 1068565814 /nfs/dbraw/zinc/56/58/14/1068565814.db2.gz YQODYYIUMMHDEH-HWBMXIPRSA-N 1 0 496.700 4.380 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300405046 1068565942 /nfs/dbraw/zinc/56/59/42/1068565942.db2.gz YQODYYIUMMHDEH-RQTOMXEWSA-N 1 0 496.700 4.380 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406173 1068569672 /nfs/dbraw/zinc/56/96/72/1068569672.db2.gz AVPWKDKIEZLVMK-GGAORHGYSA-N 1 0 457.663 4.430 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC001300406193 1068569726 /nfs/dbraw/zinc/56/97/26/1068569726.db2.gz BIDSRLVBOICIAA-UHFFFAOYSA-N 1 0 466.674 4.120 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001300406181 1068570134 /nfs/dbraw/zinc/57/01/34/1068570134.db2.gz AYOIZVDFALWRAS-JOCHJYFZSA-N 1 0 494.684 4.231 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(NC(=S)NCC[NH+]2CCCCC2)(c2ccc(F)cc2)CC1 ZINC001200445854 1068579305 /nfs/dbraw/zinc/57/93/05/1068579305.db2.gz HQPOBNWLCFYPBD-UHFFFAOYSA-N 1 0 464.651 4.002 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCC2)c1 ZINC001300420704 1068633728 /nfs/dbraw/zinc/63/37/28/1068633728.db2.gz HPQYMRITMRKIHG-DHIUTWEWSA-N 1 0 455.647 4.328 20 0 JIADRO C[C@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001353844565 1068655418 /nfs/dbraw/zinc/65/54/18/1068655418.db2.gz IWVJXJBMDAUAJA-UWJYYQICSA-N 1 0 454.571 4.479 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001353844679 1068655841 /nfs/dbraw/zinc/65/58/41/1068655841.db2.gz HWGTTWPCHAVJIW-QGZVFWFLSA-N 1 0 454.621 4.122 20 0 JIADRO C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436697 1068700156 /nfs/dbraw/zinc/70/01/56/1068700156.db2.gz XDZSTAPXVQSRNS-NHTMILBNSA-N 1 0 457.659 4.435 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c1 ZINC001300442852 1068725377 /nfs/dbraw/zinc/72/53/77/1068725377.db2.gz SQGPUJKTQNOTRS-QFIPXVFZSA-N 1 0 454.663 4.031 20 0 JIADRO CCc1nc(CN2CCC(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)CC2)cs1 ZINC001200487964 1068726209 /nfs/dbraw/zinc/72/62/09/1068726209.db2.gz YTTAKDRNEBLJBP-UHFFFAOYSA-N 1 0 456.656 4.308 20 0 JIADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)cc(C(F)(F)F)c3)C2=O)cc1 ZINC001200499333 1068756836 /nfs/dbraw/zinc/75/68/36/1068756836.db2.gz GFGGAFWNYRQYOW-SFHVURJKSA-N 1 0 457.290 4.367 20 0 JIADRO COc1ccccc1[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001300460878 1068795271 /nfs/dbraw/zinc/79/52/71/1068795271.db2.gz ZSZXKWJDVRFJIW-FQEVSTJZSA-N 1 0 474.531 4.108 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492565754 1068798857 /nfs/dbraw/zinc/79/88/57/1068798857.db2.gz IOBBSAFMBJOTET-VWNXMTODSA-N 1 0 466.674 4.115 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300463812 1068801747 /nfs/dbraw/zinc/80/17/47/1068801747.db2.gz FWWJTZPWMPLMII-QZNHQXDQSA-N 1 0 455.647 4.325 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492566342 1068825344 /nfs/dbraw/zinc/82/53/44/1068825344.db2.gz QIVUZUZHYLJQLF-MQSCRBSSSA-N 1 0 466.674 4.103 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001492567293 1068832292 /nfs/dbraw/zinc/83/22/92/1068832292.db2.gz BPBBTUPQGBPNLZ-UHFFFAOYSA-N 1 0 453.660 4.371 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300481020 1068834800 /nfs/dbraw/zinc/83/48/00/1068834800.db2.gz GSTCENXGYCYVGF-RBBKRZOGSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300482356 1068837985 /nfs/dbraw/zinc/83/79/85/1068837985.db2.gz MEGCAYAUODMGGB-SFHVURJKSA-N 1 0 481.563 4.278 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492568050 1068840142 /nfs/dbraw/zinc/84/01/42/1068840142.db2.gz QCTGFXFGPHOOIH-NRFANRHFSA-N 1 0 470.662 4.429 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492568221 1068842427 /nfs/dbraw/zinc/84/24/27/1068842427.db2.gz MCGRNJMFZAZXQN-QFIPXVFZSA-N 1 0 482.673 4.431 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492568343 1068844131 /nfs/dbraw/zinc/84/41/31/1068844131.db2.gz NJSXWXHAFAGKLD-XMMPIXPASA-N 1 0 480.701 4.459 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300493341 1068860057 /nfs/dbraw/zinc/86/00/57/1068860057.db2.gz WIBSXFWPIBQBIH-HXUWFJFHSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300494150 1068861878 /nfs/dbraw/zinc/86/18/78/1068861878.db2.gz LGKKXZUCMRKLMV-OALUTQOASA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300494148 1068861976 /nfs/dbraw/zinc/86/19/76/1068861976.db2.gz LGKKXZUCMRKLMV-MOPGFXCFSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCCNC(=O)C(C)C ZINC001300496516 1068864961 /nfs/dbraw/zinc/86/49/61/1068864961.db2.gz HAFZVAIIHHYYKT-HSZRJFAPSA-N 1 0 496.700 4.208 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[N@H+](C)C(C)C ZINC001300500134 1068868964 /nfs/dbraw/zinc/86/89/64/1068868964.db2.gz YPBGSKDLRCXJFR-NRFANRHFSA-N 1 0 484.689 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001300505365 1068876575 /nfs/dbraw/zinc/87/65/75/1068876575.db2.gz FGNNSULYFODOAK-AREMUKBSSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001300505348 1068876635 /nfs/dbraw/zinc/87/66/35/1068876635.db2.gz DWJZVGBCOXYHCP-HSZRJFAPSA-N 1 0 497.713 4.177 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001300507247 1068881370 /nfs/dbraw/zinc/88/13/70/1068881370.db2.gz KKWHAWNMFVFOHE-NZQKXSOJSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300517788 1068903327 /nfs/dbraw/zinc/90/33/27/1068903327.db2.gz NNPLDSKAKPIOFN-MJGOQNOKSA-N 1 0 481.544 4.086 20 0 JIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC001354116818 1068907380 /nfs/dbraw/zinc/90/73/80/1068907380.db2.gz IZJVEKNQIGBVQH-KKSFZXQISA-N 1 0 458.400 4.185 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001300523723 1068921339 /nfs/dbraw/zinc/92/13/39/1068921339.db2.gz AXLOJQSKAUKWBI-BHIFYINESA-N 1 0 469.674 4.367 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300531278 1068943207 /nfs/dbraw/zinc/94/32/07/1068943207.db2.gz WEWGXFSYSYVOAW-GOTSBHOMSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300533209 1068949172 /nfs/dbraw/zinc/94/91/72/1068949172.db2.gz VVPRFNVMBAUPSQ-VQTJNVASSA-N 1 0 482.698 4.442 20 0 JIADRO C[NH+](C)CCN(C(=S)Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001200587238 1068961654 /nfs/dbraw/zinc/96/16/54/1068961654.db2.gz NIXLHADCFUDNSI-UHFFFAOYSA-N 1 0 459.031 4.439 20 0 JIADRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000849205466 1068963764 /nfs/dbraw/zinc/96/37/64/1068963764.db2.gz FMOPAQNFXFFMML-UFHPHHKVSA-N 1 0 493.648 4.487 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300539440 1068966622 /nfs/dbraw/zinc/96/66/22/1068966622.db2.gz GDLQQKCULPEATB-YADHBBJMSA-N 1 0 469.674 4.251 20 0 JIADRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC001474625558 1068975698 /nfs/dbraw/zinc/97/56/98/1068975698.db2.gz NGVBJYPRDFLNGL-WMLDXEAASA-N 1 0 456.306 4.307 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001354208362 1068978945 /nfs/dbraw/zinc/97/89/45/1068978945.db2.gz VCCIJNRZLRCYNW-UHFFFAOYSA-N 1 0 450.461 4.110 20 0 JIADRO Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001354210791 1068981396 /nfs/dbraw/zinc/98/13/96/1068981396.db2.gz UPVLRMIFENUZCX-KSSFIOAISA-N 1 0 454.377 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300549474 1068994970 /nfs/dbraw/zinc/99/49/70/1068994970.db2.gz XWUKBERGEUDTFQ-PMACEKPBSA-N 1 0 457.688 4.472 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C(C)C ZINC001492585794 1068999040 /nfs/dbraw/zinc/99/90/40/1068999040.db2.gz PEBZLXRBHRDXRA-UHFFFAOYSA-N 1 0 463.674 4.305 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[NH+]1CCCCCC1 ZINC001492586309 1069002110 /nfs/dbraw/zinc/00/21/10/1069002110.db2.gz CPMOEXCNXNGLNE-OAQYLSRUSA-N 1 0 478.607 4.126 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(C)C ZINC001300556372 1069012490 /nfs/dbraw/zinc/01/24/90/1069012490.db2.gz NVQJVTULSUULIC-SZPZYZBQSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300557692 1069018195 /nfs/dbraw/zinc/01/81/95/1069018195.db2.gz OWPSDQZYDZCKMA-UPVQGACJSA-N 1 0 469.674 4.249 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492571735 1069019179 /nfs/dbraw/zinc/01/91/79/1069019179.db2.gz IOBSCNFTWGKDBA-YADHBBJMSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492571734 1069019510 /nfs/dbraw/zinc/01/95/10/1069019510.db2.gz IOBSCNFTWGKDBA-VXKWHMMOSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001492587338 1069023348 /nfs/dbraw/zinc/02/33/48/1069023348.db2.gz MXPBHGQOIKKEMS-NRFANRHFSA-N 1 0 484.689 4.116 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492587378 1069023966 /nfs/dbraw/zinc/02/39/66/1069023966.db2.gz NWBRNJVAIHUUGP-ZEQRLZLVSA-N 1 0 494.728 4.240 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001492572251 1069027490 /nfs/dbraw/zinc/02/74/90/1069027490.db2.gz XQZRYOMHPIIQCU-XZOQPEGZSA-N 1 0 482.673 4.333 20 0 JIADRO COc1ccc([C@H]2[C@@H](C(=O)N(C)C3CC[NH+](C)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849388070 1069028375 /nfs/dbraw/zinc/02/83/75/1069028375.db2.gz ZKFGDAIWYKCVRC-HOFKKMOUSA-N 1 0 479.621 4.049 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001492572822 1069046586 /nfs/dbraw/zinc/04/65/86/1069046586.db2.gz JAKZGFTUXNAMMV-ISKFKSNPSA-N 1 0 480.701 4.112 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482821 1069051765 /nfs/dbraw/zinc/05/17/65/1069051765.db2.gz TVRLXJFWLWHEOA-NHCUHLMSSA-N 1 0 451.640 4.250 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486816 1069052932 /nfs/dbraw/zinc/05/29/32/1069052932.db2.gz BIXSOTCQUQQFEV-GOTSBHOMSA-N 1 0 483.410 4.436 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849488508 1069056631 /nfs/dbraw/zinc/05/66/31/1069056631.db2.gz CLSUMPLPCZDQSA-UXHICEINSA-N 1 0 452.628 4.083 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 ZINC000849488634 1069056693 /nfs/dbraw/zinc/05/66/93/1069056693.db2.gz CYFZZLQLPUQTKR-JTAQYXEDSA-N 1 0 496.537 4.256 20 0 JIADRO Cc1ccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489936 1069057472 /nfs/dbraw/zinc/05/74/72/1069057472.db2.gz IEPFWYXCVBEPFM-ZEQRLZLVSA-N 1 0 456.594 4.496 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cs1 ZINC000849490973 1069057647 /nfs/dbraw/zinc/05/76/47/1069057647.db2.gz XFFGTNGMXZHQGK-PMACEKPBSA-N 1 0 457.669 4.086 20 0 JIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849492398 1069058536 /nfs/dbraw/zinc/05/85/36/1069058536.db2.gz FAZGJGHCFOUQLQ-DHIUTWEWSA-N 1 0 475.641 4.166 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491869 1069060453 /nfs/dbraw/zinc/06/04/53/1069060453.db2.gz UYNBSCNUHYLYSZ-MOPGFXCFSA-N 1 0 469.611 4.013 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c(F)c1 ZINC000849492473 1069062712 /nfs/dbraw/zinc/06/27/12/1069062712.db2.gz XDEHCTMINXAMIP-ICSRJNTNSA-N 1 0 484.601 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)[C@H](c2cnn(C)c2)C1 ZINC000849492601 1069062830 /nfs/dbraw/zinc/06/28/30/1069062830.db2.gz SFFFXANDUANYRT-SFLYRZDNSA-N 1 0 492.664 4.420 20 0 JIADRO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)n1 ZINC000849494298 1069063694 /nfs/dbraw/zinc/06/36/94/1069063694.db2.gz SNWFFOXJOAFQSC-GOTSBHOMSA-N 1 0 464.639 4.431 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493473 1069063729 /nfs/dbraw/zinc/06/37/29/1069063729.db2.gz KFCAIBRYQCGJBL-RTBURBONSA-N 1 0 474.631 4.156 20 0 JIADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849494308 1069063768 /nfs/dbraw/zinc/06/37/68/1069063768.db2.gz SPBICADWPOJCPG-ZCYQVOJMSA-N 1 0 473.621 4.111 20 0 JIADRO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)n1 ZINC000849494300 1069063788 /nfs/dbraw/zinc/06/37/88/1069063788.db2.gz SNWFFOXJOAFQSC-XZOQPEGZSA-N 1 0 464.639 4.431 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849495018 1069065784 /nfs/dbraw/zinc/06/57/84/1069065784.db2.gz ANLURWHLHVIMQB-BDTNDASRSA-N 1 0 492.451 4.171 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499022 1069070520 /nfs/dbraw/zinc/07/05/20/1069070520.db2.gz CIIKLEMLFOKOCT-GNKBHMEESA-N 1 0 488.611 4.281 20 0 JIADRO CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc2s1 ZINC000849500198 1069072052 /nfs/dbraw/zinc/07/20/52/1069072052.db2.gz XGNLXYZETGGVII-UXHICEINSA-N 1 0 454.596 4.264 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501311 1069072988 /nfs/dbraw/zinc/07/29/88/1069072988.db2.gz UPMOPXOLRNNTMP-PKTZIBPZSA-N 1 0 493.583 4.273 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501536 1069074041 /nfs/dbraw/zinc/07/40/41/1069074041.db2.gz WBZVAXAAIUNUHI-SXOMAYOGSA-N 1 0 460.622 4.267 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849502243 1069075643 /nfs/dbraw/zinc/07/56/43/1069075643.db2.gz ZKMWKBSYRKGVFA-HZPDHXFCSA-N 1 0 458.456 4.076 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849502694 1069079455 /nfs/dbraw/zinc/07/94/55/1069079455.db2.gz DRGGTHIZFGZWNR-XZOQPEGZSA-N 1 0 477.609 4.136 20 0 JIADRO Cc1ccccc1[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001492574756 1069084455 /nfs/dbraw/zinc/08/44/55/1069084455.db2.gz ZGLPADFFIZQENZ-UPVQGACJSA-N 1 0 469.674 4.254 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510277 1069090834 /nfs/dbraw/zinc/09/08/34/1069090834.db2.gz HZSYTQBKUSDMPS-IEXUWNMDSA-N 1 0 465.642 4.053 20 0 JIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509605 1069092411 /nfs/dbraw/zinc/09/24/11/1069092411.db2.gz LYQNARJVXPGXLS-VXKWHMMOSA-N 1 0 461.448 4.434 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509631 1069092649 /nfs/dbraw/zinc/09/26/49/1069092649.db2.gz MCUPZYNDFOIPJP-FGZHOGPDSA-N 1 0 474.584 4.479 20 0 JIADRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849512212 1069095325 /nfs/dbraw/zinc/09/53/25/1069095325.db2.gz BIJFNJDFTNQVGG-BYXVTNLJSA-N 1 0 460.622 4.124 20 0 JIADRO COCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000849512971 1069097015 /nfs/dbraw/zinc/09/70/15/1069097015.db2.gz OEYUYJSMPJODLH-CDNPAEQRSA-N 1 0 480.575 4.489 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516997 1069103339 /nfs/dbraw/zinc/10/33/39/1069103339.db2.gz LZCOTWDRSRYYOL-LOSJGSFVSA-N 1 0 468.605 4.314 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518341 1069105006 /nfs/dbraw/zinc/10/50/06/1069105006.db2.gz GRBLSQVTMVUGPK-ZEQRLZLVSA-N 1 0 485.588 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@H](c2cnn(C)c2)C1 ZINC000849517633 1069107291 /nfs/dbraw/zinc/10/72/91/1069107291.db2.gz MEHWJMFJBMBNPP-DQEYMECFSA-N 1 0 471.605 4.076 20 0 JIADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519345 1069108893 /nfs/dbraw/zinc/10/88/93/1069108893.db2.gz JBDOMEOIFJALLY-PISWEHOVSA-N 1 0 450.558 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518622 1069109899 /nfs/dbraw/zinc/10/98/99/1069109899.db2.gz OGPCEXJSIVPGEA-RPBOFIJWSA-N 1 0 471.605 4.076 20 0 JIADRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520093 1069111997 /nfs/dbraw/zinc/11/19/97/1069111997.db2.gz VPFRDDQRQUWIHO-ZEQRLZLVSA-N 1 0 459.594 4.433 20 0 JIADRO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849519575 1069112544 /nfs/dbraw/zinc/11/25/44/1069112544.db2.gz KIAGFXSRVPNMIF-DSNGMDLFSA-N 1 0 460.626 4.303 20 0 JIADRO Cc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519548 1069112924 /nfs/dbraw/zinc/11/29/24/1069112924.db2.gz VGDPXMKRYKTXOB-DNQXCXABSA-N 1 0 454.578 4.255 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300580194 1069113345 /nfs/dbraw/zinc/11/33/45/1069113345.db2.gz SGXUQFPTLCRUHA-PMACEKPBSA-N 1 0 487.714 4.097 20 0 JIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522896 1069115825 /nfs/dbraw/zinc/11/58/25/1069115825.db2.gz PWEAMIHLXRHJBS-PNHOKKKMSA-N 1 0 458.031 4.418 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119258 /nfs/dbraw/zinc/11/92/58/1069119258.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 1 0 472.077 4.058 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300583078 1069125376 /nfs/dbraw/zinc/12/53/76/1069125376.db2.gz OFQUASFGEOWLBV-NRFANRHFSA-N 1 0 455.647 4.124 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526677 1069125862 /nfs/dbraw/zinc/12/58/62/1069125862.db2.gz SQXBXODIPCZBFP-TYCQWZJGSA-N 1 0 479.488 4.294 20 0 JIADRO C[C@@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000504227482 1069146225 /nfs/dbraw/zinc/14/62/25/1069146225.db2.gz HCXFZKIDISSERH-OAHLLOKOSA-N 1 0 472.565 4.042 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849535545 1069156164 /nfs/dbraw/zinc/15/61/64/1069156164.db2.gz UNHSIRJJSMVWIB-FGZHOGPDSA-N 1 0 475.622 4.182 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543386 1069174234 /nfs/dbraw/zinc/17/42/34/1069174234.db2.gz RBCHDIJIOSBHIE-AOYPEHQESA-N 1 0 464.654 4.174 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547152 1069182896 /nfs/dbraw/zinc/18/28/96/1069182896.db2.gz FRXSPDDXFFUAMV-ZWKOTPCHSA-N 1 0 487.391 4.048 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546878 1069185022 /nfs/dbraw/zinc/18/50/22/1069185022.db2.gz DEESGZAAZABJJB-MSOLQXFVSA-N 1 0 477.462 4.439 20 0 JIADRO CCCCOCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548251 1069185899 /nfs/dbraw/zinc/18/58/99/1069185899.db2.gz LNLTWOKEZDEANM-FGZHOGPDSA-N 1 0 477.447 4.068 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849546624 1069186267 /nfs/dbraw/zinc/18/62/67/1069186267.db2.gz CQGLJBPGDHSDAV-IZLXSDGUSA-N 1 0 490.648 4.350 20 0 JIADRO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849551303 1069190518 /nfs/dbraw/zinc/19/05/18/1069190518.db2.gz AIYUXZBJJAVQHN-PKTZIBPZSA-N 1 0 472.593 4.220 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(C)c1 ZINC000849552488 1069192519 /nfs/dbraw/zinc/19/25/19/1069192519.db2.gz IUHLNRWJAAJVNI-RSEQLOHWSA-N 1 0 467.013 4.332 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551918 1069193434 /nfs/dbraw/zinc/19/34/34/1069193434.db2.gz GXFMCKTXPDIQCF-LEWJYISDSA-N 1 0 481.000 4.069 20 0 JIADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC001200657589 1069193983 /nfs/dbraw/zinc/19/39/83/1069193983.db2.gz PPGRTXOCFPCKON-ZRZAMGCNSA-N 1 0 450.627 4.426 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553329 1069194362 /nfs/dbraw/zinc/19/43/62/1069194362.db2.gz IXTOKRSRBVYBTM-GSLIJJQTSA-N 1 0 495.465 4.492 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555503 1069199847 /nfs/dbraw/zinc/19/98/47/1069199847.db2.gz ZHCAUIOCJRGEIK-BKULYWANSA-N 1 0 452.986 4.023 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849554894 1069200452 /nfs/dbraw/zinc/20/04/52/1069200452.db2.gz WQNNQEYWPAGENC-PKTZIBPZSA-N 1 0 499.457 4.074 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849558373 1069204286 /nfs/dbraw/zinc/20/42/86/1069204286.db2.gz MXLSAHNLJSTTHZ-RCXJIHSJSA-N 1 0 499.659 4.450 20 0 JIADRO Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557736 1069205264 /nfs/dbraw/zinc/20/52/64/1069205264.db2.gz ITFVXJZEFGEYNT-LOSJGSFVSA-N 1 0 479.669 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849559691 1069208858 /nfs/dbraw/zinc/20/88/58/1069208858.db2.gz VYEOZLLVFJGTEU-HOTGVXAUSA-N 1 0 481.822 4.076 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)c2ccccc21 ZINC001200662665 1069210943 /nfs/dbraw/zinc/21/09/43/1069210943.db2.gz NRLSIWGPGFUPPI-GOSISDBHSA-N 1 0 486.632 4.251 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(I)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849563691 1069212481 /nfs/dbraw/zinc/21/24/81/1069212481.db2.gz RUJMQEWGXRGUJV-HZPDHXFCSA-N 1 0 486.785 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849565443 1069213948 /nfs/dbraw/zinc/21/39/48/1069213948.db2.gz VUKNLMFZEQRAQD-UXHICEINSA-N 1 0 474.447 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849564786 1069214248 /nfs/dbraw/zinc/21/42/48/1069214248.db2.gz RCFHIJKDMZJVFI-MOPGFXCFSA-N 1 0 461.448 4.091 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849565442 1069214648 /nfs/dbraw/zinc/21/46/48/1069214648.db2.gz VUKNLMFZEQRAQD-PMACEKPBSA-N 1 0 474.447 4.235 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300610519 1069215275 /nfs/dbraw/zinc/21/52/75/1069215275.db2.gz PKYJINCIUKBFOQ-JOCHJYFZSA-N 1 0 468.690 4.027 20 0 JIADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566050 1069216917 /nfs/dbraw/zinc/21/69/17/1069216917.db2.gz YFCRTDFYOSFIHB-KYNGSXCRSA-N 1 0 488.455 4.219 20 0 JIADRO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001200664432 1069217959 /nfs/dbraw/zinc/21/79/59/1069217959.db2.gz QJUKYJSTQTXIPF-NBGIEHNGSA-N 1 0 472.605 4.307 20 0 JIADRO COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]4CC[N@H+](C)C[C@H]4c4cnn(C)c4)cc32)c1 ZINC000849566873 1069218486 /nfs/dbraw/zinc/21/84/86/1069218486.db2.gz FBTOEQCAERLATG-RPBOFIJWSA-N 1 0 457.578 4.106 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568950 1069220175 /nfs/dbraw/zinc/22/01/75/1069220175.db2.gz QRCHQZAFVVJQSR-NSOVKSMOSA-N 1 0 483.660 4.148 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849569439 1069220426 /nfs/dbraw/zinc/22/04/26/1069220426.db2.gz UCWOZBWDHPHQTL-YADHBBJMSA-N 1 0 472.058 4.370 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000849570791 1069221866 /nfs/dbraw/zinc/22/18/66/1069221866.db2.gz DHPMBNYCPLSUIC-GDKQOWJMSA-N 1 0 468.642 4.080 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569681 1069222037 /nfs/dbraw/zinc/22/20/37/1069222037.db2.gz VPGIMNTWPIGKIV-SFTDATJTSA-N 1 0 476.968 4.483 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572327 1069222565 /nfs/dbraw/zinc/22/25/65/1069222565.db2.gz OCSGDZKLMYCVCK-HOTGVXAUSA-N 1 0 484.473 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572325 1069223038 /nfs/dbraw/zinc/22/30/38/1069223038.db2.gz OCSGDZKLMYCVCK-CVEARBPZSA-N 1 0 484.473 4.403 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001354443661 1069224412 /nfs/dbraw/zinc/22/44/12/1069224412.db2.gz FZRQZTZRDFHJOL-RCZVLFRGSA-N 1 0 451.586 4.095 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001300615640 1069229127 /nfs/dbraw/zinc/22/91/27/1069229127.db2.gz MRBVKZOGDPWEHE-UHFFFAOYSA-N 1 0 468.690 4.466 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849576122 1069229354 /nfs/dbraw/zinc/22/93/54/1069229354.db2.gz GVBOFPMNEKKXFY-HUUCEWRRSA-N 1 0 462.982 4.184 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579202 1069230740 /nfs/dbraw/zinc/23/07/40/1069230740.db2.gz WCPVGVYKJJMBKR-FGZHOGPDSA-N 1 0 485.032 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849581331 1069231431 /nfs/dbraw/zinc/23/14/31/1069231431.db2.gz GOVVRPIJJBAXGX-VXKWHMMOSA-N 1 0 473.459 4.403 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581378 1069231793 /nfs/dbraw/zinc/23/17/93/1069231793.db2.gz GSHXITFAILTLAR-DASLBBPJSA-N 1 0 453.656 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849580739 1069232535 /nfs/dbraw/zinc/23/25/35/1069232535.db2.gz CGIVYTAXJSMKSS-RTWAWAEBSA-N 1 0 466.523 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)[C@H](c2cnn(C)c2)C1 ZINC000849583127 1069233920 /nfs/dbraw/zinc/23/39/20/1069233920.db2.gz RJCWTSLDKJLLOU-FKBYEOEOSA-N 1 0 464.639 4.192 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582702 1069233976 /nfs/dbraw/zinc/23/39/76/1069233976.db2.gz ONGVHUZBZUVVPK-NHCUHLMSSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586218 1069236222 /nfs/dbraw/zinc/23/62/22/1069236222.db2.gz OJDWOHFVRQKSCR-GIWBLDEGSA-N 1 0 461.448 4.296 20 0 JIADRO CCCC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587870 1069239901 /nfs/dbraw/zinc/23/99/01/1069239901.db2.gz VSPQJOXISBFTLH-FUDKSRODSA-N 1 0 461.448 4.440 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849589411 1069241311 /nfs/dbraw/zinc/24/13/11/1069241311.db2.gz RCTXWZBCIGUABP-XPWALMASSA-N 1 0 488.474 4.100 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC001492576310 1069242217 /nfs/dbraw/zinc/24/22/17/1069242217.db2.gz OAPMTAAJYIMHCT-CCLHPLFOSA-N 1 0 463.674 4.366 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001354467245 1069242392 /nfs/dbraw/zinc/24/23/92/1069242392.db2.gz IWXWLQVDEMIQDY-FQEVSTJZSA-N 1 0 457.372 4.083 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594133 1069246159 /nfs/dbraw/zinc/24/61/59/1069246159.db2.gz SZMGRTSUIYWSOH-URXFXBBRSA-N 1 0 451.590 4.261 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595840 1069250780 /nfs/dbraw/zinc/25/07/80/1069250780.db2.gz JICKYDOYZBOWFW-SFTDATJTSA-N 1 0 462.985 4.146 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595838 1069251052 /nfs/dbraw/zinc/25/10/52/1069251052.db2.gz JICKYDOYZBOWFW-NHCUHLMSSA-N 1 0 462.985 4.146 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598496 1069253324 /nfs/dbraw/zinc/25/33/24/1069253324.db2.gz ZZVGBNACGFJYPY-RBUKOAKNSA-N 1 0 493.877 4.498 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849598478 1069253356 /nfs/dbraw/zinc/25/33/56/1069253356.db2.gz ZYQJVRYRQJRECB-MOPGFXCFSA-N 1 0 467.839 4.009 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300624747 1069255088 /nfs/dbraw/zinc/25/50/88/1069255088.db2.gz BBRFGGQNTGSMJD-CWBXHPNXSA-N 1 0 485.673 4.380 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599327 1069254961 /nfs/dbraw/zinc/25/49/61/1069254961.db2.gz AQMIZPQUGZXAIF-QNWVGRARSA-N 1 0 459.619 4.165 20 0 JIADRO CC[C@H](C)n1c2ccc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599099 1069255418 /nfs/dbraw/zinc/25/54/18/1069255418.db2.gz KQTDMVGOCBDXOG-WBAXXEDZSA-N 1 0 462.520 4.434 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849601446 1069256976 /nfs/dbraw/zinc/25/69/76/1069256976.db2.gz VQOGRQINIDPFHF-PKTZIBPZSA-N 1 0 461.025 4.461 20 0 JIADRO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603151 1069258908 /nfs/dbraw/zinc/25/89/08/1069258908.db2.gz CKRGNSZZARXBBL-FGZHOGPDSA-N 1 0 450.549 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849606655 1069263125 /nfs/dbraw/zinc/26/31/25/1069263125.db2.gz QMUDJXQSNWISAY-HZUJVAHNSA-N 1 0 465.495 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849610726 1069271370 /nfs/dbraw/zinc/27/13/70/1069271370.db2.gz NHUDQGJDEGZPHE-RBUKOAKNSA-N 1 0 459.432 4.321 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001300632129 1069281853 /nfs/dbraw/zinc/28/18/53/1069281853.db2.gz UOTCKGKFSKVFHC-NRFANRHFSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300640251 1069305213 /nfs/dbraw/zinc/30/52/13/1069305213.db2.gz VCUYYPZSCMGOTE-CNNODRBYSA-N 1 0 485.654 4.091 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(C[C@H]4CCO)CC3)c21 ZINC001164393767 718811252 /nfs/dbraw/zinc/81/12/52/718811252.db2.gz WFAZZPCKTXWIRP-HXUWFJFHSA-N 1 0 482.024 4.386 20 0 JIADRO c1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1-c1ccccc1 ZINC001164408939 718863856 /nfs/dbraw/zinc/86/38/56/718863856.db2.gz OAEIZGSMILAMLH-UNMCSNQZSA-N 1 0 463.651 4.159 20 0 JIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)c1 ZINC001164406522 718864182 /nfs/dbraw/zinc/86/41/82/718864182.db2.gz HFKDDSVDMJRHNM-HKUYNNGSSA-N 1 0 469.680 4.220 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)n2)CC1 ZINC001164405012 718864192 /nfs/dbraw/zinc/86/41/92/718864192.db2.gz CEAJDZWNVOZKII-ICSRJNTNSA-N 1 0 483.707 4.466 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4CCCO[C@@H]4C3)c21 ZINC001164421484 718900259 /nfs/dbraw/zinc/90/02/59/718900259.db2.gz RJMXTIDAIYHYFT-PZJWPPBQSA-N 1 0 467.997 4.402 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164618872 719008168 /nfs/dbraw/zinc/00/81/68/719008168.db2.gz UGYDJMKZZUYQAU-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625226 719076542 /nfs/dbraw/zinc/07/65/42/719076542.db2.gz NACHKPUZDHRSEH-AQNXPRMDSA-N 1 0 452.990 4.280 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164630114 719089995 /nfs/dbraw/zinc/08/99/95/719089995.db2.gz VLBLTVOCMLJDKX-NZQKXSOJSA-N 1 0 466.626 4.458 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164662791 719348026 /nfs/dbraw/zinc/34/80/26/719348026.db2.gz AERNSIPBNBPPQB-UHFFFAOYSA-N 1 0 492.071 4.292 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682658 719653687 /nfs/dbraw/zinc/65/36/87/719653687.db2.gz SNGPCQTWHGPQHY-UHFFFAOYSA-N 1 0 464.923 4.216 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4cc(Cl)ncc43)CC2)c2ccccc21 ZINC001164684104 719663820 /nfs/dbraw/zinc/66/38/20/719663820.db2.gz WEVIATOLQYGABY-HXUWFJFHSA-N 1 0 478.040 4.377 20 0 JIADRO Cc1cc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(Cl)n1 ZINC001164681656 719664006 /nfs/dbraw/zinc/66/40/06/719664006.db2.gz POBADMQVGKFRIP-GOSISDBHSA-N 1 0 492.014 4.077 20 0 JIADRO COc1ccc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc2c1 ZINC001164680939 719664567 /nfs/dbraw/zinc/66/45/67/719664567.db2.gz JCHPECNAMWGHOR-QFIPXVFZSA-N 1 0 472.633 4.337 20 0 JIADRO Cc1nc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680838 719671371 /nfs/dbraw/zinc/67/13/71/719671371.db2.gz HYOOQMRLZGMDPS-FQEVSTJZSA-N 1 0 455.046 4.445 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164681502 719676486 /nfs/dbraw/zinc/67/64/86/719676486.db2.gz MDBUBNPYNUTSTB-GOSISDBHSA-N 1 0 495.071 4.267 20 0 JIADRO Cc1cc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)nn1 ZINC001164679992 719678270 /nfs/dbraw/zinc/67/82/70/719678270.db2.gz AGUCIGDSVUCKMO-SFHVURJKSA-N 1 0 492.014 4.077 20 0 JIADRO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685751 719678638 /nfs/dbraw/zinc/67/86/38/719678638.db2.gz VWJKLHSNPWFBDF-FQEVSTJZSA-N 1 0 482.072 4.409 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001164690650 719760551 /nfs/dbraw/zinc/76/05/51/719760551.db2.gz GOJKHWXQURHTKP-BVZFJXPGSA-N 1 0 484.645 4.343 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c21 ZINC001164691865 719803189 /nfs/dbraw/zinc/80/31/89/719803189.db2.gz LDXNZDDUDGOUCR-UHFFFAOYSA-N 1 0 490.633 4.459 20 0 JIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC[C@@H](C)C4)cn2)CC3)cs1 ZINC001164693426 719813100 /nfs/dbraw/zinc/81/31/00/719813100.db2.gz UWKAMRAGWHZNBO-LJQANCHMSA-N 1 0 453.656 4.354 20 0 JIADRO COC[C@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)Cc2cn(C)nc21 ZINC001164697333 719832366 /nfs/dbraw/zinc/83/23/66/719832366.db2.gz WKXCDMRVGVEUBL-OAQYLSRUSA-N 1 0 494.039 4.240 20 0 JIADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695717 719889832 /nfs/dbraw/zinc/88/98/32/719889832.db2.gz SJDKIPGFPDVORK-UHFFFAOYSA-N 1 0 495.052 4.461 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)OCC ZINC001164696658 719892973 /nfs/dbraw/zinc/89/29/73/719892973.db2.gz GPRNZFQOVWZUNO-UHFFFAOYSA-N 1 0 481.062 4.005 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164710022 720106499 /nfs/dbraw/zinc/10/64/99/720106499.db2.gz FPPJCSFHGLXBCH-SFHVURJKSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164714157 720116035 /nfs/dbraw/zinc/11/60/35/720116035.db2.gz AHRZZPOWEPBBHS-KRWDZBQOSA-N 1 0 454.924 4.322 20 0 JIADRO CCOC(=O)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc2ccccc21 ZINC001164719030 720116952 /nfs/dbraw/zinc/11/69/52/720116952.db2.gz UVYHXZGHGHAFLC-JOCHJYFZSA-N 1 0 474.605 4.314 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164719671 720126493 /nfs/dbraw/zinc/12/64/93/720126493.db2.gz ZUYYXELIXFQVMA-IBGZPJMESA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164710812 720135251 /nfs/dbraw/zinc/13/52/51/720135251.db2.gz DCINSGADWLNDLF-IBGZPJMESA-N 1 0 488.970 4.126 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH]1 ZINC001164713526 720137513 /nfs/dbraw/zinc/13/75/13/720137513.db2.gz RHFIDICVIUEQBA-LJQANCHMSA-N 1 0 455.006 4.076 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164714370 720144277 /nfs/dbraw/zinc/14/42/77/720144277.db2.gz WPPMQTWCUGOIMT-HSZRJFAPSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164713056 720148486 /nfs/dbraw/zinc/14/84/86/720148486.db2.gz PPHPTQBADYGURX-QHCPKHFHSA-N 1 0 458.610 4.058 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164714521 720157380 /nfs/dbraw/zinc/15/73/80/720157380.db2.gz QECFKVUAGIFFRG-HXUWFJFHSA-N 1 0 460.557 4.153 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814331 720185142 /nfs/dbraw/zinc/18/51/42/720185142.db2.gz FUEORNBIHMUDQF-CYFREDJKSA-N 1 0 451.596 4.045 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812844 720196683 /nfs/dbraw/zinc/19/66/83/720196683.db2.gz MMIQGBAUENNHRB-QDPGVEIFSA-N 1 0 458.606 4.394 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)s1 ZINC001164718255 720198977 /nfs/dbraw/zinc/19/89/77/720198977.db2.gz ZCJUPSQVUDIVBK-JOCHJYFZSA-N 1 0 489.649 4.011 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)C2 ZINC001164811677 720198994 /nfs/dbraw/zinc/19/89/94/720198994.db2.gz JLJFIAMBXGQTMD-UUOWRZLLSA-N 1 0 458.990 4.116 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810914 720199956 /nfs/dbraw/zinc/19/99/56/720199956.db2.gz FMNFFIVGGDHMFL-DCFHFQCYSA-N 1 0 491.039 4.439 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164823927 720304636 /nfs/dbraw/zinc/30/46/36/720304636.db2.gz QRYNAHJTJJBUSW-RTBURBONSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164821278 720305787 /nfs/dbraw/zinc/30/57/87/720305787.db2.gz JPBPDHQFSAZOBK-VXKWHMMOSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164821277 720306300 /nfs/dbraw/zinc/30/63/00/720306300.db2.gz JPBPDHQFSAZOBK-FGZHOGPDSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164824194 720336790 /nfs/dbraw/zinc/33/67/90/720336790.db2.gz HMTCCZAHLIWLBR-FCHUYYIVSA-N 1 0 479.625 4.409 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164831253 720339630 /nfs/dbraw/zinc/33/96/30/720339630.db2.gz YLUYCILQPKKUMV-RPBOFIJWSA-N 1 0 473.596 4.347 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825035 720352181 /nfs/dbraw/zinc/35/21/81/720352181.db2.gz INDGRBRKTOLPAS-NHCUHLMSSA-N 1 0 470.017 4.142 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001164821773 720356304 /nfs/dbraw/zinc/35/63/04/720356304.db2.gz BWACNPGCDURORL-WOJBJXKFSA-N 1 0 452.977 4.069 20 0 JIADRO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734823 720437310 /nfs/dbraw/zinc/43/73/10/720437310.db2.gz UZDSJTGWVYMDEU-VXKWHMMOSA-N 1 0 474.678 4.414 20 0 JIADRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734821 720438888 /nfs/dbraw/zinc/43/88/88/720438888.db2.gz UZDSJTGWVYMDEU-FCHUYYIVSA-N 1 0 474.678 4.414 20 0 JIADRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735117 720439079 /nfs/dbraw/zinc/43/90/79/720439079.db2.gz WEYLMMYGMZDWAI-FCHUYYIVSA-N 1 0 474.678 4.414 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)C1 ZINC001164732728 720510511 /nfs/dbraw/zinc/51/05/11/720510511.db2.gz WCEPWIDBGVLWMJ-MRXNPFEDSA-N 1 0 450.949 4.484 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836783 720540675 /nfs/dbraw/zinc/54/06/75/720540675.db2.gz KXADTHAVVKNILJ-XODKDNOYSA-N 1 0 450.656 4.390 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835058 720566652 /nfs/dbraw/zinc/56/66/52/720566652.db2.gz GVIWNSMMYUJXEQ-IMFGXOCKSA-N 1 0 471.968 4.031 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164835060 720566685 /nfs/dbraw/zinc/56/66/85/720566685.db2.gz GVIWNSMMYUJXEQ-QRFRQXIXSA-N 1 0 471.968 4.031 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840121 720596554 /nfs/dbraw/zinc/59/65/54/720596554.db2.gz PBWFKMBENJKDTD-OTNCWRBYSA-N 1 0 459.642 4.194 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164841320 720598305 /nfs/dbraw/zinc/59/83/05/720598305.db2.gz RVEFYQVHVLBKIL-UFYCRDLUSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@@H]21 ZINC001164843549 720609402 /nfs/dbraw/zinc/60/94/02/720609402.db2.gz XXQGASINUZWXBV-HKBOAZHASA-N 1 0 459.623 4.328 20 0 JIADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164843757 720662032 /nfs/dbraw/zinc/66/20/32/720662032.db2.gz XOUKAMBEURXJNA-GOSISDBHSA-N 1 0 494.970 4.112 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164844260 720666113 /nfs/dbraw/zinc/66/61/13/720666113.db2.gz ZQFXEBJCEUMVFW-RUZDIDTESA-N 1 0 470.617 4.272 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164841722 720669126 /nfs/dbraw/zinc/66/91/26/720669126.db2.gz PRZQTKZYCVQHQM-AREMUKBSSA-N 1 0 483.660 4.295 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164839523 720685027 /nfs/dbraw/zinc/68/50/27/720685027.db2.gz AIRJRELKANETMQ-SANMLTNESA-N 1 0 483.660 4.295 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164839522 720685618 /nfs/dbraw/zinc/68/56/18/720685618.db2.gz AIRJRELKANETMQ-AREMUKBSSA-N 1 0 483.660 4.295 20 0 JIADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838870 720705057 /nfs/dbraw/zinc/70/50/57/720705057.db2.gz JLDCZSUYZHSLND-UFTUAFODSA-N 1 0 460.578 4.009 20 0 JIADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737847 720719425 /nfs/dbraw/zinc/71/94/25/720719425.db2.gz HJQDFGCKKAAMAV-UXHICEINSA-N 1 0 476.943 4.221 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840323 720724890 /nfs/dbraw/zinc/72/48/90/720724890.db2.gz PDYGGZYOYRXQEO-VWLOTQADSA-N 1 0 487.648 4.382 20 0 JIADRO Fc1cnc(N2CCC3(CC2)CN(c2ccc(C[NH+]4CCCC4)cn2)Cc2ccccc23)nc1 ZINC001164836586 720735301 /nfs/dbraw/zinc/73/53/01/720735301.db2.gz FALUHFOWBKOOIM-UHFFFAOYSA-N 1 0 458.585 4.165 20 0 JIADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744206 720758514 /nfs/dbraw/zinc/75/85/14/720758514.db2.gz RMOKTJAHDPAZRS-UXHICEINSA-N 1 0 458.953 4.082 20 0 JIADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746177 720824400 /nfs/dbraw/zinc/82/44/00/720824400.db2.gz YCLLKGZFGMXCHL-SYYKKAFVSA-N 1 0 472.971 4.404 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744602 720826667 /nfs/dbraw/zinc/82/66/67/720826667.db2.gz VMRWFYVIYRRZPG-MVERNJQCSA-N 1 0 465.605 4.268 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743565 720842655 /nfs/dbraw/zinc/84/26/55/720842655.db2.gz JEPXBKQQVMCLGG-WRALFONMSA-N 1 0 479.028 4.285 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@H]2C1 ZINC001164852229 720849996 /nfs/dbraw/zinc/84/99/96/720849996.db2.gz JEMJYXKMGQAKRP-LIRRHRJNSA-N 1 0 460.352 4.260 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(SCc5ccccc5)ccn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740562 720850710 /nfs/dbraw/zinc/85/07/10/720850710.db2.gz CTOFPWRKVKJPGK-VDKIKQQVSA-N 1 0 460.651 4.345 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745361 720854007 /nfs/dbraw/zinc/85/40/07/720854007.db2.gz DDGJEFFURUMBRK-XKCSPQBFSA-N 1 0 499.997 4.313 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743882 720854939 /nfs/dbraw/zinc/85/49/39/720854939.db2.gz ARZGMJFUVSVLHP-MAARLIENSA-N 1 0 498.679 4.105 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164743877 720858419 /nfs/dbraw/zinc/85/84/19/720858419.db2.gz AQORTAVCENJVJE-YFVAEKQCSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC[C@H]2C1 ZINC001164852609 720866764 /nfs/dbraw/zinc/86/67/64/720866764.db2.gz DQLHWFOJBNDVMA-PKOBYXMFSA-N 1 0 459.015 4.185 20 0 JIADRO COc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164750654 720874644 /nfs/dbraw/zinc/87/46/44/720874644.db2.gz JKZJRAZRVTZXOJ-ZJSXRUAMSA-N 1 0 492.998 4.439 20 0 JIADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CSCC2 ZINC001164748010 720876539 /nfs/dbraw/zinc/87/65/39/720876539.db2.gz DIPMRBPJHPGTJO-CJFMBICVSA-N 1 0 486.085 4.069 20 0 JIADRO c1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164755511 720877084 /nfs/dbraw/zinc/87/70/84/720877084.db2.gz YCNGFIAYNSBXAN-LBNVMWSVSA-N 1 0 455.606 4.294 20 0 JIADRO COc1ccc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752971 720879360 /nfs/dbraw/zinc/87/93/60/720879360.db2.gz OADBZNDJSBWVFB-UFHPHHKVSA-N 1 0 458.606 4.394 20 0 JIADRO FC(F)(Oc1cccnc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755442 720880181 /nfs/dbraw/zinc/88/01/81/720880181.db2.gz WYQNSCTVAKFFKY-NFBKMPQASA-N 1 0 478.971 4.310 20 0 JIADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753819 720881620 /nfs/dbraw/zinc/88/16/20/720881620.db2.gz QBDZVVLJMUWEDD-OYDLWJJNSA-N 1 0 460.981 4.013 20 0 JIADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755938 720882210 /nfs/dbraw/zinc/88/22/10/720882210.db2.gz NMQMOQPKJIPYHC-NLFFAJNJSA-N 1 0 467.017 4.070 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753209 720882243 /nfs/dbraw/zinc/88/22/43/720882243.db2.gz GDCVUTPAZUXMTH-BKMJKUGQSA-N 1 0 497.734 4.495 20 0 JIADRO Clc1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755074 720883796 /nfs/dbraw/zinc/88/37/96/720883796.db2.gz KOOXACNFTHYXMN-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]2C1 ZINC001164863610 720884087 /nfs/dbraw/zinc/88/40/87/720884087.db2.gz SQOVRTFODOVFLF-IIBYNOLFSA-N 1 0 469.935 4.260 20 0 JIADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755119 720892069 /nfs/dbraw/zinc/89/20/69/720892069.db2.gz KXUFSLZLLRXKTD-ATIYNZHBSA-N 1 0 485.028 4.062 20 0 JIADRO CCOc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164757419 720893081 /nfs/dbraw/zinc/89/30/81/720893081.db2.gz ULADAOKFOUYDCE-FIPFOOKPSA-N 1 0 473.621 4.179 20 0 JIADRO O=C(c1cccnc1)N1CCC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)CC1 ZINC001164860842 720894263 /nfs/dbraw/zinc/89/42/63/720894263.db2.gz VEOFBPBYRDBRNL-UHFFFAOYSA-N 1 0 467.617 4.168 20 0 JIADRO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164750544 720898603 /nfs/dbraw/zinc/89/86/03/720898603.db2.gz BIXLHAGTTYWHPF-IRPSRAIASA-N 1 0 485.632 4.302 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758136 720899209 /nfs/dbraw/zinc/89/92/09/720899209.db2.gz XCGYUJORMXZTCC-HFZDXXHNSA-N 1 0 496.059 4.211 20 0 JIADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755709 720904051 /nfs/dbraw/zinc/90/40/51/720904051.db2.gz NBRUOAVBFFJSEK-RBISFHTESA-N 1 0 474.653 4.406 20 0 JIADRO CC(C)n1ccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754391 720904671 /nfs/dbraw/zinc/90/46/71/720904671.db2.gz ITNAJAFKVVMDBF-WNCULLNHSA-N 1 0 460.626 4.162 20 0 JIADRO Clc1nc2c(Cl)nccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164746450 720907518 /nfs/dbraw/zinc/90/75/18/720907518.db2.gz AEPDAODDWQNENP-KBMIEXCESA-N 1 0 499.446 4.482 20 0 JIADRO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749153 720907582 /nfs/dbraw/zinc/90/75/82/720907582.db2.gz HZWKHEGETWGZDH-CVDCTZTESA-N 1 0 460.047 4.002 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750035 720909064 /nfs/dbraw/zinc/90/90/64/720909064.db2.gz IUWFYEWTFAFXHT-IXCJQBJRSA-N 1 0 455.606 4.294 20 0 JIADRO COc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164752938 720913155 /nfs/dbraw/zinc/91/31/55/720913155.db2.gz PNAFERYFUHFIBX-SVEHJYQDSA-N 1 0 485.632 4.302 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748067 720915707 /nfs/dbraw/zinc/91/57/07/720915707.db2.gz FMCLANLOPUPFDG-FUFSCUOVSA-N 1 0 486.616 4.172 20 0 JIADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)o1 ZINC001164752216 720921938 /nfs/dbraw/zinc/92/19/38/720921938.db2.gz NPGAGXLNFKPWPX-HOFKKMOUSA-N 1 0 459.594 4.195 20 0 JIADRO CC(C)Sc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751426 720923624 /nfs/dbraw/zinc/92/36/24/720923624.db2.gz MIIBERKDCWGXQA-WIOPSUGQSA-N 1 0 453.656 4.127 20 0 JIADRO COC(=O)c1cccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164752310 720924446 /nfs/dbraw/zinc/92/44/46/720924446.db2.gz NVQSWABWSHVTEN-MUAVYFROSA-N 1 0 486.616 4.172 20 0 JIADRO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753643 720932964 /nfs/dbraw/zinc/93/29/64/720932964.db2.gz RWHNUOZRYXMDSF-NFBKMPQASA-N 1 0 478.971 4.310 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@@H]2C ZINC001164858127 721000347 /nfs/dbraw/zinc/00/03/47/721000347.db2.gz HLOOWYPWEUVRSP-OAHLLOKOSA-N 1 0 461.948 4.355 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc(Cl)c2c1 ZINC001164863186 721007697 /nfs/dbraw/zinc/00/76/97/721007697.db2.gz UISFCQQGYZXKKB-AWEZNQCLSA-N 1 0 464.948 4.455 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1 ZINC001164859467 721030484 /nfs/dbraw/zinc/03/04/84/721030484.db2.gz IJFUOOUAVYYCBU-FXSWLTOZSA-N 1 0 468.686 4.366 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164770796 721032632 /nfs/dbraw/zinc/03/26/32/721032632.db2.gz ZFUQGVFMJMUJLU-QPPBQGQZSA-N 1 0 490.982 4.396 20 0 JIADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760537 721044801 /nfs/dbraw/zinc/04/48/01/721044801.db2.gz VPHOZPBVODVWJJ-UHFFFAOYSA-N 1 0 497.043 4.234 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C(=O)N5CCOCC5)cc4Cl)CC3)CC2)cc1 ZINC001164759486 721045830 /nfs/dbraw/zinc/04/58/30/721045830.db2.gz NEDGTKUJNMXOPU-UHFFFAOYSA-N 1 0 483.056 4.398 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(S(=O)(=O)N5CCCC5)cn4)CC3)CC2)cc1 ZINC001164759199 721045936 /nfs/dbraw/zinc/04/59/36/721045936.db2.gz KNBGVTKNTXGHRV-UHFFFAOYSA-N 1 0 468.667 4.057 20 0 JIADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868167 721067421 /nfs/dbraw/zinc/06/74/21/721067421.db2.gz NKMMXBYWTVGCTL-LEWJYISDSA-N 1 0 473.527 4.450 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880924 721127517 /nfs/dbraw/zinc/12/75/17/721127517.db2.gz XPCUXYFPTBDBEQ-GGAORHGYSA-N 1 0 450.970 4.189 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164877588 721141747 /nfs/dbraw/zinc/14/17/47/721141747.db2.gz OUYRIUATHQMYCW-SFTDATJTSA-N 1 0 473.527 4.450 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870328 721152458 /nfs/dbraw/zinc/15/24/58/721152458.db2.gz CODJNOOHJODWSC-RTWAWAEBSA-N 1 0 471.939 4.217 20 0 JIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164878910 721165830 /nfs/dbraw/zinc/16/58/30/721165830.db2.gz QUMZKRQGZHYUGH-FGZHOGPDSA-N 1 0 487.629 4.379 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164774355 721194080 /nfs/dbraw/zinc/19/40/80/721194080.db2.gz YNIARAWDQCOXER-SFTDATJTSA-N 1 0 485.661 4.324 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(-c5ccc(F)c(F)c5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164774370 721197953 /nfs/dbraw/zinc/19/79/53/721197953.db2.gz YPYSVSUEOXBAJD-WOJBJXKFSA-N 1 0 460.532 4.267 20 0 JIADRO O=C(N1CCCC1)C12CC(C1)CN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164871831 721237434 /nfs/dbraw/zinc/23/74/34/721237434.db2.gz IVVIOGFKEWFQLH-UHFFFAOYSA-N 1 0 493.051 4.348 20 0 JIADRO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164879186 721295631 /nfs/dbraw/zinc/29/56/31/721295631.db2.gz WKRCGCOTTLLMJQ-OZXSUGGESA-N 1 0 488.657 4.069 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775688 721308457 /nfs/dbraw/zinc/30/84/57/721308457.db2.gz IJIWCKCFAOURTI-RUZDIDTESA-N 1 0 477.653 4.406 20 0 JIADRO O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164874639 721319760 /nfs/dbraw/zinc/31/97/60/721319760.db2.gz CZGRTXNXDNDTNG-OAQYLSRUSA-N 1 0 472.967 4.157 20 0 JIADRO CCN1CC[C@@]2(CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]2C)C1=O ZINC001164779000 721319996 /nfs/dbraw/zinc/31/99/96/721319996.db2.gz SVKRNTHLRKEBOL-DCFHFQCYSA-N 1 0 495.067 4.451 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164877562 721330382 /nfs/dbraw/zinc/33/03/82/721330382.db2.gz WCZFHCKAGCCPBE-FGZHOGPDSA-N 1 0 459.598 4.334 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779744 721353381 /nfs/dbraw/zinc/35/33/81/721353381.db2.gz VJCNCCJKHGNVDZ-NDEPHWFRSA-N 1 0 486.620 4.203 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)nccc43)C2)C1 ZINC001164786074 721363772 /nfs/dbraw/zinc/36/37/72/721363772.db2.gz VYABDDCAWHEKNJ-QFIPXVFZSA-N 1 0 477.396 4.055 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sc5c(c43)CCC5)C2)C1 ZINC001164781494 721365007 /nfs/dbraw/zinc/36/50/07/721365007.db2.gz JNJHUAWHBKBWSN-VWLOTQADSA-N 1 0 467.639 4.212 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4ccccc43)C2)C1 ZINC001164780021 721365747 /nfs/dbraw/zinc/36/57/47/721365747.db2.gz CDXFQPTXKYSGLD-NDEPHWFRSA-N 1 0 484.604 4.416 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164780299 721372088 /nfs/dbraw/zinc/37/20/88/721372088.db2.gz FUVVCLZTNVJMEZ-AREMUKBSSA-N 1 0 490.633 4.477 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890474 721397647 /nfs/dbraw/zinc/39/76/47/721397647.db2.gz NMUFQBNXVOHOOC-KMRXNPHXSA-N 1 0 493.602 4.340 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccccc54)C3)O2)CC1 ZINC001164883558 721404054 /nfs/dbraw/zinc/40/40/54/721404054.db2.gz ATIIVESDXWQSIY-QDPGVEIFSA-N 1 0 457.622 4.062 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889437 721405192 /nfs/dbraw/zinc/40/51/92/721405192.db2.gz QNIDVQILSHVVLL-NZQKXSOJSA-N 1 0 464.988 4.199 20 0 JIADRO 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COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300660299 1069367702 /nfs/dbraw/zinc/36/77/02/1069367702.db2.gz LMISCAZCQZHUQG-VQTJNVASSA-N 1 0 473.687 4.460 20 0 JIADRO CCOC(=O)C1(NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC[NH+](CC)CC1 ZINC001200715820 1069373526 /nfs/dbraw/zinc/37/35/26/1069373526.db2.gz SAVGYAKWEXSFJX-UHFFFAOYSA-N 1 0 498.365 4.052 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300662236 1069377511 /nfs/dbraw/zinc/37/75/11/1069377511.db2.gz ZCFLZHRPKLHTQK-RBBKRZOGSA-N 1 0 478.641 4.293 20 0 JIADRO CC(=O)N(Cc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1)C1CC1 ZINC001200722967 1069392330 /nfs/dbraw/zinc/39/23/30/1069392330.db2.gz TUAADSAEDAMGTE-RUZDIDTESA-N 1 0 452.599 4.409 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC001354614760 1069405205 /nfs/dbraw/zinc/40/52/05/1069405205.db2.gz OZEQECHNTCOGEL-UHFFFAOYSA-N 1 0 453.583 4.419 20 0 JIADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001354615597 1069405371 /nfs/dbraw/zinc/40/53/71/1069405371.db2.gz SGNXOOKZHRMPCK-NHCUHLMSSA-N 1 0 463.603 4.313 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359348140 1069423472 /nfs/dbraw/zinc/42/34/72/1069423472.db2.gz AMOYPWVJKQCZHI-XLNRJJMWSA-N 1 0 478.710 4.496 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359348141 1069423601 /nfs/dbraw/zinc/42/36/01/1069423601.db2.gz AOEXIQNINLKWNN-CMMGQKIUSA-N 1 0 478.685 4.451 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359349206 1069425786 /nfs/dbraw/zinc/42/57/86/1069425786.db2.gz STPKFLZJOPTQMN-UPVOOSPTSA-N 1 0 464.658 4.424 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359357537 1069447858 /nfs/dbraw/zinc/44/78/58/1069447858.db2.gz ISXYNENOCPRYFN-IBGZPJMESA-N 1 0 479.044 4.161 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359363692 1069457281 /nfs/dbraw/zinc/45/72/81/1069457281.db2.gz XKKTZWKNIBSURK-QHCPKHFHSA-N 1 0 498.741 4.305 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001359363402 1069456511 /nfs/dbraw/zinc/45/65/11/1069456511.db2.gz QYBNIOUJWWUTFT-QFIPXVFZSA-N 1 0 484.714 4.058 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359375124 1069480895 /nfs/dbraw/zinc/48/08/95/1069480895.db2.gz ATDMJGFRPDIWSK-FGZHOGPDSA-N 1 0 466.674 4.070 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001359380907 1069485727 /nfs/dbraw/zinc/48/57/27/1069485727.db2.gz VEJLUMWDXAANRM-DYESRHJHSA-N 1 0 495.018 4.023 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359378433 1069483527 /nfs/dbraw/zinc/48/35/27/1069483527.db2.gz OKGRUDJEUQNLAH-XMMPIXPASA-N 1 0 496.700 4.187 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC001359385543 1069491952 /nfs/dbraw/zinc/49/19/52/1069491952.db2.gz DNAMWLDCEQMACG-FCHUYYIVSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001359385604 1069492367 /nfs/dbraw/zinc/49/23/67/1069492367.db2.gz GMXBZLWONBJADG-LJQANCHMSA-N 1 0 491.055 4.451 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359386121 1069494057 /nfs/dbraw/zinc/49/40/57/1069494057.db2.gz UBYPQWGSCQDBRH-UHFFFAOYSA-N 1 0 479.456 4.185 20 0 JIADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001359396126 1069500795 /nfs/dbraw/zinc/50/07/95/1069500795.db2.gz RBFYBCFAEFDKSJ-XMMPIXPASA-N 1 0 496.700 4.043 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001359397596 1069504068 /nfs/dbraw/zinc/50/40/68/1069504068.db2.gz FRUWOJZLCXPHJV-UPVQGACJSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)Nc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001359405213 1069512558 /nfs/dbraw/zinc/51/25/58/1069512558.db2.gz MDIACTTVVPCQBT-SFHVURJKSA-N 1 0 498.031 4.004 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359411968 1069529743 /nfs/dbraw/zinc/52/97/43/1069529743.db2.gz DZNGFYJWJWSNQS-OBFZPWGMSA-N 1 0 485.032 4.378 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359411967 1069529969 /nfs/dbraw/zinc/52/99/69/1069529969.db2.gz DZNGFYJWJWSNQS-AJTFCVKESA-N 1 0 485.032 4.378 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359414568 1069539033 /nfs/dbraw/zinc/53/90/33/1069539033.db2.gz QQWPSSOTGKIWRZ-UHFFFAOYSA-N 1 0 496.700 4.048 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359415807 1069540759 /nfs/dbraw/zinc/54/07/59/1069540759.db2.gz RWZXOBWENFUIFF-VWNXMTODSA-N 1 0 496.700 4.404 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001359416496 1069541779 /nfs/dbraw/zinc/54/17/79/1069541779.db2.gz GMHWIIMWAQAIBC-VLCRHTCISA-N 1 0 491.080 4.153 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359425949 1069551567 /nfs/dbraw/zinc/55/15/67/1069551567.db2.gz QUQLNZIHYFKJMI-NZQKXSOJSA-N 1 0 494.640 4.036 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359430401 1069555093 /nfs/dbraw/zinc/55/50/93/1069555093.db2.gz TVSZXNNAJAYQMY-PIIWDFAUSA-N 1 0 496.700 4.089 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001359436208 1069563991 /nfs/dbraw/zinc/56/39/91/1069563991.db2.gz KZCDMZOTUYBYEN-VXKWHMMOSA-N 1 0 470.662 4.039 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359439442 1069569452 /nfs/dbraw/zinc/56/94/52/1069569452.db2.gz WDPZQYXWXKSCLD-ILBGXUMGSA-N 1 0 496.700 4.091 20 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CC(C)(C)c1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CCSCCCO ZINC001359508110 1069782959 /nfs/dbraw/zinc/78/29/59/1069782959.db2.gz NVEMVSLYIHMEBV-UHFFFAOYSA-N 1 0 471.715 4.184 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1ccc(NC(N)=O)cc1 ZINC001359510296 1069789200 /nfs/dbraw/zinc/78/92/00/1069789200.db2.gz QKHJKLXLBFIMDD-OAQYLSRUSA-N 1 0 467.662 4.207 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCSCc1ccccc1F ZINC001359515409 1069802228 /nfs/dbraw/zinc/80/22/28/1069802228.db2.gz UWHOWHDHNXTXEE-UHFFFAOYSA-N 1 0 475.678 4.197 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001359521926 1069809467 /nfs/dbraw/zinc/80/94/67/1069809467.db2.gz INKBDXKSVXAFEU-CTNGQTDRSA-N 1 0 476.065 4.230 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359530491 1069821802 /nfs/dbraw/zinc/82/18/02/1069821802.db2.gz FBZARVMUDYHHOC-UHFFFAOYSA-N 1 0 454.667 4.004 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001359530812 1069822478 /nfs/dbraw/zinc/82/24/78/1069822478.db2.gz ROYPRUPDEMSZQJ-UHFFFAOYSA-N 1 0 462.683 4.236 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCCCCS(C)(=O)=O ZINC001359535154 1069828706 /nfs/dbraw/zinc/82/87/06/1069828706.db2.gz LIOMGOXAAHOLHZ-JOCHJYFZSA-N 1 0 481.751 4.174 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001359535567 1069829787 /nfs/dbraw/zinc/82/97/87/1069829787.db2.gz UKWFEUAIBFZIPW-WOJBJXKFSA-N 1 0 453.622 4.383 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359540211 1069837372 /nfs/dbraw/zinc/83/73/72/1069837372.db2.gz MMJUFNKJTSJQRH-UHFFFAOYSA-N 1 0 458.720 4.372 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359541782 1069839484 /nfs/dbraw/zinc/83/94/84/1069839484.db2.gz IRNAXSWVKFIHGO-GOSISDBHSA-N 1 0 489.652 4.386 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001300794916 1069846680 /nfs/dbraw/zinc/84/66/80/1069846680.db2.gz LPYZZINAXWVREE-WAOWUJCRSA-N 1 0 493.494 4.172 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 ZINC001359545844 1069849098 /nfs/dbraw/zinc/84/90/98/1069849098.db2.gz HSHIAPFYGOOXRY-UHFFFAOYSA-N 1 0 453.679 4.177 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2Cc2nccn2C(F)F)CC1 ZINC001359546384 1069850383 /nfs/dbraw/zinc/85/03/83/1069850383.db2.gz CJAUYPKTACAMKB-UHFFFAOYSA-N 1 0 461.536 4.282 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(F)c2F)CC1 ZINC001359546369 1069850438 /nfs/dbraw/zinc/85/04/38/1069850438.db2.gz BPZCZNQBOZIGIA-HXUWFJFHSA-N 1 0 461.601 4.251 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001359546895 1069851215 /nfs/dbraw/zinc/85/12/15/1069851215.db2.gz UJSUIHLSZGZWPK-UHFFFAOYSA-N 1 0 480.657 4.412 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001359546862 1069851234 /nfs/dbraw/zinc/85/12/34/1069851234.db2.gz SNTPQDXDWZZRNL-UHFFFAOYSA-N 1 0 488.080 4.001 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001359546880 1069851337 /nfs/dbraw/zinc/85/13/37/1069851337.db2.gz TWAWMUDHIQBYHN-UHFFFAOYSA-N 1 0 466.552 4.207 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCC2)CC1 ZINC001359547289 1069852599 /nfs/dbraw/zinc/85/25/99/1069852599.db2.gz JMZRGZZZNKNNRR-UHFFFAOYSA-N 1 0 473.065 4.362 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001359547978 1069854356 /nfs/dbraw/zinc/85/43/56/1069854356.db2.gz JZYGZYNENGPQJB-UHFFFAOYSA-N 1 0 473.547 4.307 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 ZINC001359548693 1069855989 /nfs/dbraw/zinc/85/59/89/1069855989.db2.gz MQBDBIMGHVXQTE-UHFFFAOYSA-N 1 0 462.038 4.126 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001359550269 1069858365 /nfs/dbraw/zinc/85/83/65/1069858365.db2.gz WEPJFDUCAPDZDE-UHFFFAOYSA-N 1 0 494.587 4.235 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCSCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359558100 1069877314 /nfs/dbraw/zinc/87/73/14/1069877314.db2.gz XPZOAVGUHIXZED-OAQYLSRUSA-N 1 0 492.734 4.212 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001359580425 1070001943 /nfs/dbraw/zinc/00/19/43/1070001943.db2.gz GBGGVFYWTMNUJX-QHCPKHFHSA-N 1 0 455.647 4.169 20 0 JIADRO CC(C)(C)OC1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCOCC2)CC1 ZINC001359581697 1070004345 /nfs/dbraw/zinc/00/43/45/1070004345.db2.gz IRORDIMCOQORSR-UHFFFAOYSA-N 1 0 476.065 4.495 20 0 JIADRO CC(C)(Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCc2cccs2)CC1)C(F)(F)F ZINC001359597011 1070050233 /nfs/dbraw/zinc/05/02/33/1070050233.db2.gz AAIJQIMEJUFALM-UHFFFAOYSA-N 1 0 478.588 4.279 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCCO)CC1)C[NH+]1CCCC1 ZINC001359597786 1070052589 /nfs/dbraw/zinc/05/25/89/1070052589.db2.gz COSVZQJBKZSTSL-UHFFFAOYSA-N 1 0 475.628 4.258 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001359613990 1070080389 /nfs/dbraw/zinc/08/03/89/1070080389.db2.gz PKHNEDSKANLRKW-IFMALSPDSA-N 1 0 486.730 4.415 20 0 JIADRO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359619220 1070089310 /nfs/dbraw/zinc/08/93/10/1070089310.db2.gz NSSBCCLBPCQKSN-AREMUKBSSA-N 1 0 494.728 4.269 20 0 JIADRO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359617572 1070087916 /nfs/dbraw/zinc/08/79/16/1070087916.db2.gz NLHQFSZYOHGXJP-NRFANRHFSA-N 1 0 470.637 4.043 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359619777 1070091375 /nfs/dbraw/zinc/09/13/75/1070091375.db2.gz DTWUCXZXEOMMKT-JOCHJYFZSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359621379 1070096324 /nfs/dbraw/zinc/09/63/24/1070096324.db2.gz JTADZSFBSXBROS-SIKLNZKXSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001359623064 1070101442 /nfs/dbraw/zinc/10/14/42/1070101442.db2.gz NZEDCCVVQREGFU-XMMPIXPASA-N 1 0 484.664 4.023 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001359623887 1070106024 /nfs/dbraw/zinc/10/60/24/1070106024.db2.gz IHSXSOVRBPZQNL-OAQYLSRUSA-N 1 0 461.054 4.099 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001359625276 1070113142 /nfs/dbraw/zinc/11/31/42/1070113142.db2.gz DHLZHJJRGBTFSY-HSZRJFAPSA-N 1 0 498.672 4.113 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359628415 1070132647 /nfs/dbraw/zinc/13/26/47/1070132647.db2.gz CWCNNYQAWZHTRQ-QHCPKHFHSA-N 1 0 472.722 4.264 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359629395 1070140008 /nfs/dbraw/zinc/14/00/08/1070140008.db2.gz UUYSYRVKLPDZID-UXHICEINSA-N 1 0 474.719 4.220 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629153 1070138816 /nfs/dbraw/zinc/13/88/16/1070138816.db2.gz QDJIORJORCPFKW-XZOQPEGZSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359635235 1070163106 /nfs/dbraw/zinc/16/31/06/1070163106.db2.gz VEPLAVXDLFQVEO-SFHVURJKSA-N 1 0 479.044 4.211 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359635302 1070163153 /nfs/dbraw/zinc/16/31/53/1070163153.db2.gz XMDDINDOHTZDGK-JOCHJYFZSA-N 1 0 493.071 4.457 20 0 JIADRO CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359641573 1070176501 /nfs/dbraw/zinc/17/65/01/1070176501.db2.gz QOPRZDMBBFSSJG-QPPBQGQZSA-N 1 0 466.674 4.197 20 0 JIADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359639214 1070173581 /nfs/dbraw/zinc/17/35/81/1070173581.db2.gz VPWKNUNDJSEAQQ-SFTDATJTSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001359644016 1070184822 /nfs/dbraw/zinc/18/48/22/1070184822.db2.gz VNLYKZMYBAFEFE-UHFFFAOYSA-N 1 0 491.055 4.164 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359647925 1070203112 /nfs/dbraw/zinc/20/31/12/1070203112.db2.gz JPKYAUURBHZZDK-JPYJTQIMSA-N 1 0 450.002 4.209 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359648717 1070207214 /nfs/dbraw/zinc/20/72/14/1070207214.db2.gz ZXECGWTVTTYJFF-KKSFZXQISA-N 1 0 482.492 4.241 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359655848 1070229309 /nfs/dbraw/zinc/22/93/09/1070229309.db2.gz DUXRJZGXPFDDNZ-LEWJYISDSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359656596 1070237293 /nfs/dbraw/zinc/23/72/93/1070237293.db2.gz SBBJCKGMJQKUPJ-BWKNWUBXSA-N 1 0 489.668 4.020 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC001359657173 1070243236 /nfs/dbraw/zinc/24/32/36/1070243236.db2.gz CSDYUQWWLLPCQI-SFHVURJKSA-N 1 0 485.421 4.402 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(F)F)[NH+]1CCCC1 ZINC001359657255 1070244477 /nfs/dbraw/zinc/24/44/77/1070244477.db2.gz DZUYFXSPEBDWAS-QGZVFWFLSA-N 1 0 473.410 4.258 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001359659183 1070263212 /nfs/dbraw/zinc/26/32/12/1070263212.db2.gz REWOXYZNOCCVTG-SFTDATJTSA-N 1 0 491.080 4.134 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359659794 1070268932 /nfs/dbraw/zinc/26/89/32/1070268932.db2.gz DSZXMAWZBPZAFV-FYYLOGMGSA-N 1 0 497.688 4.296 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001359660656 1070273209 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COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001315623754 1064762362 /nfs/dbraw/zinc/76/23/62/1064762362.db2.gz BRVCGFVPXOBPAT-QHCPKHFHSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOCC1CC1 ZINC001315623828 1064763184 /nfs/dbraw/zinc/76/31/84/1064763184.db2.gz BSBBCOFEUAMKFD-UHFFFAOYSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001315625592 1064767320 /nfs/dbraw/zinc/76/73/20/1064767320.db2.gz MHCIXFCPQLJMDA-LJQANCHMSA-N 1 0 455.647 4.144 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315625822 1064768398 /nfs/dbraw/zinc/76/83/98/1064768398.db2.gz XOUKYUFKDUNUIO-FCHUYYIVSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OC)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001315627398 1064772452 /nfs/dbraw/zinc/77/24/52/1064772452.db2.gz HKBOFPYMCLIRDJ-DEOSSOPVSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001315630233 1064779919 /nfs/dbraw/zinc/77/99/19/1064779919.db2.gz WQXQDMVQVRLKDG-QHCPKHFHSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315635199 1064791579 /nfs/dbraw/zinc/79/15/79/1064791579.db2.gz QXGIHNLDHZVKER-UNMCSNQZSA-N 1 0 462.642 4.456 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315637627 1064796298 /nfs/dbraw/zinc/79/62/98/1064796298.db2.gz MYXVLNMIEYHVCK-NHCUHLMSSA-N 1 0 478.641 4.181 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315642729 1064807717 /nfs/dbraw/zinc/80/77/17/1064807717.db2.gz IKYGEMGRNRDTDI-UHFFFAOYSA-N 1 0 466.630 4.301 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001315643008 1064809032 /nfs/dbraw/zinc/80/90/32/1064809032.db2.gz LKAWCAMBSXYHJU-JOCHJYFZSA-N 1 0 454.663 4.247 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001315647974 1064823038 /nfs/dbraw/zinc/82/30/38/1064823038.db2.gz PVINBYXXMQSUQZ-UHFFFAOYSA-N 1 0 455.628 4.438 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001315649545 1064825640 /nfs/dbraw/zinc/82/56/40/1064825640.db2.gz RVXVAGQKIYEBFY-BDTNDASRSA-N 1 0 499.700 4.377 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1csc(C)c1 ZINC001315654458 1064841592 /nfs/dbraw/zinc/84/15/92/1064841592.db2.gz CENIVUKQFRGMNF-UHFFFAOYSA-N 1 0 455.628 4.062 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccnc(SC)c1 ZINC001315658608 1064852422 /nfs/dbraw/zinc/85/24/22/1064852422.db2.gz RCLITTWIGWUHPU-UHFFFAOYSA-N 1 0 496.681 4.342 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC1([NH+](C)C)CCCC1 ZINC001315659909 1064855740 /nfs/dbraw/zinc/85/57/40/1064855740.db2.gz YPMVZUNRLPNUIF-HXUWFJFHSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H]2CCSC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315660879 1064859191 /nfs/dbraw/zinc/85/91/91/1064859191.db2.gz OEPXPUYZCLGXAT-VQTJNVASSA-N 1 0 491.727 4.022 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H]2CCSC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315660881 1064859302 /nfs/dbraw/zinc/85/93/02/1064859302.db2.gz OEPXPUYZCLGXAT-WOJBJXKFSA-N 1 0 491.727 4.022 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315661524 1064861557 /nfs/dbraw/zinc/86/15/57/1064861557.db2.gz HWGWYZIPGRNABW-UFYCRDLUSA-N 1 0 461.676 4.169 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001315662868 1064867168 /nfs/dbraw/zinc/86/71/68/1064867168.db2.gz ACKCIMCGNBVNSB-FQEVSTJZSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(CO)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315663698 1064871529 /nfs/dbraw/zinc/87/15/29/1064871529.db2.gz JDXMSCYHUPQYGP-SFTDATJTSA-N 1 0 487.714 4.156 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(CO)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315663695 1064871534 /nfs/dbraw/zinc/87/15/34/1064871534.db2.gz JDXMSCYHUPQYGP-OYRHEFFESA-N 1 0 487.714 4.156 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1(SC)CC1 ZINC001315664538 1064875678 /nfs/dbraw/zinc/87/56/78/1064875678.db2.gz UBFMSRRWVSTNTO-UHFFFAOYSA-N 1 0 461.701 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@](C)(O)C(C)C ZINC001315667718 1064888285 /nfs/dbraw/zinc/88/82/85/1064888285.db2.gz OPNKHSDHEIPJFH-NBGIEHNGSA-N 1 0 473.687 4.051 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSC[C@@H]2C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315668326 1064891443 /nfs/dbraw/zinc/89/14/43/1064891443.db2.gz MZCGCAODOVSABR-OALUTQOASA-N 1 0 461.701 4.253 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315691813 1064949177 /nfs/dbraw/zinc/94/91/77/1064949177.db2.gz KYESNHWVIYBUQN-VQTJNVASSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001315697657 1064960720 /nfs/dbraw/zinc/96/07/20/1064960720.db2.gz RBFOWXKKJZJOQY-RTBURBONSA-N 1 0 474.403 4.219 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315698729 1064962551 /nfs/dbraw/zinc/96/25/51/1064962551.db2.gz XUSPXRRDPVIQQN-XLIONFOSSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315701864 1064966516 /nfs/dbraw/zinc/96/65/16/1064966516.db2.gz CYNFVMGYVYVEMK-PKTZIBPZSA-N 1 0 455.647 4.354 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001315703975 1064968811 /nfs/dbraw/zinc/96/88/11/1064968811.db2.gz DHJOFOHRYKUTKU-UHFFFAOYSA-N 1 0 499.059 4.398 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)c2cccc(O)c2)CC1 ZINC001315704428 1064971157 /nfs/dbraw/zinc/97/11/57/1064971157.db2.gz IHDPSEAGJXSPOD-SFHVURJKSA-N 1 0 498.697 4.426 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(F)c(F)c2)CC1 ZINC001315704389 1064971352 /nfs/dbraw/zinc/97/13/52/1064971352.db2.gz PDRJAOGXFIOBPN-UHFFFAOYSA-N 1 0 470.568 4.144 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001315705014 1064973625 /nfs/dbraw/zinc/97/36/25/1064973625.db2.gz NIJJLHKDMOMWLW-UHFFFAOYSA-N 1 0 473.021 4.036 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001315705212 1064973769 /nfs/dbraw/zinc/97/37/69/1064973769.db2.gz KWXAQUXQFYDJRM-QHCPKHFHSA-N 1 0 469.674 4.357 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001315705123 1064973790 /nfs/dbraw/zinc/97/37/90/1064973790.db2.gz SCSOGFLXTKDXFA-DEOSSOPVSA-N 1 0 483.701 4.204 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001315705689 1064975503 /nfs/dbraw/zinc/97/55/03/1064975503.db2.gz AZBIUKALGCAKES-LJQANCHMSA-N 1 0 450.052 4.325 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001315706068 1064976873 /nfs/dbraw/zinc/97/68/73/1064976873.db2.gz SHACTJJYLSIIMR-GGAORHGYSA-N 1 0 469.655 4.454 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001315706420 1064978099 /nfs/dbraw/zinc/97/80/99/1064978099.db2.gz WRFHWHNUSWGREE-UHFFFAOYSA-N 1 0 492.672 4.088 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001315706723 1064978815 /nfs/dbraw/zinc/97/88/15/1064978815.db2.gz WUNCFHOQUCNYJK-UHFFFAOYSA-N 1 0 455.622 4.444 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001315706757 1064978890 /nfs/dbraw/zinc/97/88/90/1064978890.db2.gz XHBXLYSWTHSJOF-AMGIVPHBSA-N 1 0 491.721 4.081 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001315707204 1064980738 /nfs/dbraw/zinc/98/07/38/1064980738.db2.gz WOQZNCNCTNVXTH-UHFFFAOYSA-N 1 0 486.064 4.166 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001315710808 1064987264 /nfs/dbraw/zinc/98/72/64/1064987264.db2.gz YIGRVUHBHKODFW-YTFSRNRJSA-N 1 0 491.721 4.091 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315712953 1064997032 /nfs/dbraw/zinc/99/70/32/1064997032.db2.gz MIZACMJDELOHTC-YLJYHZDGSA-N 1 0 493.494 4.028 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001315713048 1064997647 /nfs/dbraw/zinc/99/76/47/1064997647.db2.gz DQMXKCNHDGLTLL-FQEVSTJZSA-N 1 0 482.456 4.226 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCSCC2)CC1(C)C ZINC001315715088 1065004059 /nfs/dbraw/zinc/00/40/59/1065004059.db2.gz JZSPDOYSQPKQHM-SFHVURJKSA-N 1 0 470.470 4.162 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001315715900 1065005436 /nfs/dbraw/zinc/00/54/36/1065005436.db2.gz MBYUFDHICUYCHB-IERDGZPVSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC[C@H]1C ZINC001315718242 1065011048 /nfs/dbraw/zinc/01/10/48/1065011048.db2.gz ZIULSSHHMBXRCX-NSISKUIASA-N 1 0 479.467 4.017 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316191562 1065882491 /nfs/dbraw/zinc/88/24/91/1065882491.db2.gz KBDLDGGMNLXSKL-JQYIIUTOSA-N 1 0 459.679 4.449 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001316196973 1065892884 /nfs/dbraw/zinc/89/28/84/1065892884.db2.gz HOFNBYSHMHNLGY-QZNHQXDQSA-N 1 0 473.637 4.290 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001316197027 1065892987 /nfs/dbraw/zinc/89/29/87/1065892987.db2.gz BTORFHGXPZGLRI-QYZOEREBSA-N 1 0 475.600 4.291 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1c(F)cccc1Cl ZINC001316198062 1065894579 /nfs/dbraw/zinc/89/45/79/1065894579.db2.gz LBHANPIQKOEAMH-QGZVFWFLSA-N 1 0 468.017 4.154 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001316201350 1065899150 /nfs/dbraw/zinc/89/91/50/1065899150.db2.gz UMLYSWKWNPAAPY-RRPUWOKSSA-N 1 0 459.610 4.180 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001316201692 1065900146 /nfs/dbraw/zinc/90/01/46/1065900146.db2.gz YNTSPXLJSCUJHD-NHTMILBNSA-N 1 0 485.673 4.091 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001316206657 1065908471 /nfs/dbraw/zinc/90/84/71/1065908471.db2.gz PZOZGRAMTSZXTP-IBGZPJMESA-N 1 0 490.718 4.259 20 0 JIADRO COCCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316225609 1065943685 /nfs/dbraw/zinc/94/36/85/1065943685.db2.gz JMMHYQPTFUUWCW-UHFFFAOYSA-N 1 0 498.697 4.018 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001316232833 1065960953 /nfs/dbraw/zinc/96/09/53/1065960953.db2.gz MGDVKWIVTAJKKG-OAQYLSRUSA-N 1 0 475.703 4.181 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001316234548 1065965060 /nfs/dbraw/zinc/96/50/60/1065965060.db2.gz IUFSDMSPJRHDOJ-YZUZCNPQSA-N 1 0 475.703 4.253 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316235248 1065966443 /nfs/dbraw/zinc/96/64/43/1065966443.db2.gz UGVKVNQOQRSQEE-IBGZPJMESA-N 1 0 462.038 4.105 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001316240140 1065978317 /nfs/dbraw/zinc/97/83/17/1065978317.db2.gz WLBWEQMBCOQITI-WOJBJXKFSA-N 1 0 476.046 4.205 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316241260 1065981329 /nfs/dbraw/zinc/98/13/29/1065981329.db2.gz JSMIPMFTZQTNAE-NLWGTHIKSA-N 1 0 480.028 4.100 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316242849 1065984131 /nfs/dbraw/zinc/98/41/31/1065984131.db2.gz PZOBUGLMSPDGMX-GOTSBHOMSA-N 1 0 459.610 4.010 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316244961 1065986606 /nfs/dbraw/zinc/98/66/06/1065986606.db2.gz KLMVVXHLNYXYGG-REWPJTCUSA-N 1 0 476.065 4.351 20 0 JIADRO COCCOC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001316246222 1065987579 /nfs/dbraw/zinc/98/75/79/1065987579.db2.gz ANZOWTVKXZDKGL-KDYSTLNUSA-N 1 0 487.664 4.150 20 0 JIADRO COCCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001316252961 1065996877 /nfs/dbraw/zinc/99/68/77/1065996877.db2.gz ZYTZQQAZCLSZSB-DHIUTWEWSA-N 1 0 491.721 4.093 20 0 JIADRO COCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001316262954 1066008567 /nfs/dbraw/zinc/00/85/67/1066008567.db2.gz DUNUQIOFWUBZON-RTWAWAEBSA-N 1 0 476.065 4.352 20 0 JIADRO COCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316263161 1066009219 /nfs/dbraw/zinc/00/92/19/1066009219.db2.gz DSUPXUAQPCVGCN-UHFFFAOYSA-N 1 0 471.690 4.464 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316271712 1066017400 /nfs/dbraw/zinc/01/74/00/1066017400.db2.gz KWXMKGQXUVHNOM-CARROKOZSA-N 1 0 491.627 4.427 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316272770 1066019812 /nfs/dbraw/zinc/01/98/12/1066019812.db2.gz BEZSELPRPNTNAP-LQWHRVPQSA-N 1 0 482.094 4.474 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001316273405 1066021194 /nfs/dbraw/zinc/02/11/94/1066021194.db2.gz YXQUKGPFBAATKH-JXFKEZNVSA-N 1 0 468.017 4.019 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001316274139 1066023470 /nfs/dbraw/zinc/02/34/70/1066023470.db2.gz NFEYAUURHWFWHP-UGKGYDQZSA-N 1 0 477.600 4.181 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccsc2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316275494 1066027217 /nfs/dbraw/zinc/02/72/17/1066027217.db2.gz BAYBQYLOTYIMET-FKBYEOEOSA-N 1 0 455.628 4.003 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2SC)n1CC[NH+]1CCC(C)CC1 ZINC001316275413 1066027266 /nfs/dbraw/zinc/02/72/66/1066027266.db2.gz SNSXOKJTZOKFFM-GMAHTHKFSA-N 1 0 473.687 4.092 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001316296322 1066056808 /nfs/dbraw/zinc/05/68/08/1066056808.db2.gz DIRYBHIKOYGHEB-AFXVXQJMSA-N 1 0 491.721 4.010 20 0 JIADRO CON(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316304470 1066065106 /nfs/dbraw/zinc/06/51/06/1066065106.db2.gz JNDOIVXVRSSKLV-KDURUIRLSA-N 1 0 469.586 4.003 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316315151 1066071404 /nfs/dbraw/zinc/07/14/04/1066071404.db2.gz ZLUWJWFXZLYROH-BWAGFHJFSA-N 1 0 462.038 4.417 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@H](C)[NH+](C)C)C[C@H]12 ZINC001316322102 1066077713 /nfs/dbraw/zinc/07/77/13/1066077713.db2.gz PGHPTVAHVAFLFD-ACZWYYKOSA-N 1 0 450.052 4.035 20 0 JIADRO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001316363924 1066100922 /nfs/dbraw/zinc/10/09/22/1066100922.db2.gz CBUBLGLATJLSLT-LJQANCHMSA-N 1 0 494.503 4.150 20 0 JIADRO C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001316367861 1066111613 /nfs/dbraw/zinc/11/16/13/1066111613.db2.gz YPPLKLKNQAHQJM-PVAZPRTOSA-N 1 0 471.715 4.106 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001316368066 1066112334 /nfs/dbraw/zinc/11/23/34/1066112334.db2.gz OMXZABOQSJREEO-GHTZIAJQSA-N 1 0 471.675 4.241 20 0 JIADRO CS[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316371483 1066121459 /nfs/dbraw/zinc/12/14/59/1066121459.db2.gz BKZORNQQVAPEIZ-IBGZPJMESA-N 1 0 458.676 4.209 20 0 JIADRO CSC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001316372578 1066125161 /nfs/dbraw/zinc/12/51/61/1066125161.db2.gz UXHFCFNXGQGNPA-QHCPKHFHSA-N 1 0 481.714 4.382 20 0 JIADRO CS[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316388466 1066160606 /nfs/dbraw/zinc/16/06/06/1066160606.db2.gz VHPWBPFRZSKRFL-BHIFYINESA-N 1 0 471.715 4.140 20 0 JIADRO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001316391268 1066164596 /nfs/dbraw/zinc/16/45/96/1066164596.db2.gz IATHZBSXJMAZIQ-WWPVKYPJSA-N 1 0 490.762 4.092 20 0 JIADRO CS[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001316393324 1066168757 /nfs/dbraw/zinc/16/87/57/1066168757.db2.gz IDUYXMYHGKZPIA-GMAHTHKFSA-N 1 0 489.705 4.334 20 0 JIADRO CS[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)(C)C ZINC001316394061 1066169857 /nfs/dbraw/zinc/16/98/57/1066169857.db2.gz HEHYWWFZYMPMCQ-QFIPXVFZSA-N 1 0 473.735 4.234 20 0 JIADRO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396158 1066172842 /nfs/dbraw/zinc/17/28/42/1066172842.db2.gz RYWBGONMOQQTMO-FGZHOGPDSA-N 1 0 456.704 4.354 20 0 JIADRO CS[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316399713 1066177420 /nfs/dbraw/zinc/17/74/20/1066177420.db2.gz SHJHMSWMJIVMBU-ZRCGQRJVSA-N 1 0 488.746 4.387 20 0 JIADRO CSC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC[NH+](C)CC1 ZINC001316401489 1066179600 /nfs/dbraw/zinc/17/96/00/1066179600.db2.gz PDVZZRCIHFNGOQ-UHFFFAOYSA-N 1 0 486.430 4.380 20 0 JIADRO CSC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316403117 1066182821 /nfs/dbraw/zinc/18/28/21/1066182821.db2.gz KDYOLOXRSDQPMJ-NRFANRHFSA-N 1 0 487.714 4.423 20 0 JIADRO CSC1(Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316403679 1066185047 /nfs/dbraw/zinc/18/50/47/1066185047.db2.gz GAICGBKKRXNKEU-GPWHBBDMSA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(F)(F)CC2)CC[NH+](C)CC1 ZINC001316408382 1066192057 /nfs/dbraw/zinc/19/20/57/1066192057.db2.gz XVDVIFPVMOYLHP-UHFFFAOYSA-N 1 0 453.578 4.071 20 0 JIADRO CSC1(Cn2c(-c3c[nH]c4ccccc43)nnc2N(C)CC(F)(F)F)CC[NH+](C)CC1 ZINC001316408162 1066192066 /nfs/dbraw/zinc/19/20/66/1066192066.db2.gz ZJJKKPMWWAQEBY-UHFFFAOYSA-N 1 0 452.550 4.252 20 0 JIADRO CSC1(Cn2c(Nc3cnn(C)c3)nnc2-c2ccccc2Br)CC[NH+](C)CC1 ZINC001316411132 1066199861 /nfs/dbraw/zinc/19/98/61/1066199861.db2.gz HWOBVRPDKXFQMQ-UHFFFAOYSA-N 1 0 476.448 4.012 20 0 JIADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC[NH+](C)CC1 ZINC001316412344 1066202455 /nfs/dbraw/zinc/20/24/55/1066202455.db2.gz ILOMXPPDBSNMCU-DENIHFKCSA-N 1 0 473.687 4.120 20 0 JIADRO CSc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001316412505 1066203081 /nfs/dbraw/zinc/20/30/81/1066203081.db2.gz NMHFOAFEJCNPRJ-QFIPXVFZSA-N 1 0 456.704 4.085 20 0 JIADRO CSc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)ccn1 ZINC001316415686 1066212593 /nfs/dbraw/zinc/21/25/93/1066212593.db2.gz DIPVHZTXHVLLHM-UHFFFAOYSA-N 1 0 470.618 4.082 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316419630 1066222470 /nfs/dbraw/zinc/22/24/70/1066222470.db2.gz KCSNLMGFCDDHBX-NRFANRHFSA-N 1 0 453.660 4.157 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316421910 1066229733 /nfs/dbraw/zinc/22/97/33/1066229733.db2.gz IHMHOSOHICVSDE-IFMALSPDSA-N 1 0 493.681 4.168 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001316423389 1066234921 /nfs/dbraw/zinc/23/49/21/1066234921.db2.gz RDRORYJFHNAJPA-HSZRJFAPSA-N 1 0 484.714 4.125 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCC(=O)c3ccc(Br)s3)cc2)CC1 ZINC001325028912 1066236918 /nfs/dbraw/zinc/23/69/18/1066236918.db2.gz YYNCSBNPQGNARB-UHFFFAOYSA-N 1 0 451.386 4.081 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492499232 1066241418 /nfs/dbraw/zinc/24/14/18/1066241418.db2.gz JAKJTFWKWIHIQP-JTMIDMFHSA-N 1 0 480.682 4.287 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001316426998 1066248167 /nfs/dbraw/zinc/24/81/67/1066248167.db2.gz DWDIIRQWEJAWBB-YADHBBJMSA-N 1 0 478.106 4.091 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001316427195 1066249870 /nfs/dbraw/zinc/24/98/70/1066249870.db2.gz MAVUQHUNRGVHPM-RXVVDRJESA-N 1 0 474.078 4.357 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427341 1066250660 /nfs/dbraw/zinc/25/06/60/1066250660.db2.gz INLJLGGBTUYNNS-PKTZIBPZSA-N 1 0 468.646 4.428 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCc1coc(-c2ccccc2)n1 ZINC001325741167 1066267555 /nfs/dbraw/zinc/26/75/55/1066267555.db2.gz XSFWBYDVENCRLA-UHFFFAOYSA-N 1 0 471.399 4.420 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316431292 1066269562 /nfs/dbraw/zinc/26/95/62/1066269562.db2.gz ANBRYLAEBWHVLJ-UXHICEINSA-N 1 0 491.677 4.124 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316433360 1066278250 /nfs/dbraw/zinc/27/82/50/1066278250.db2.gz OZAOFTVUQXAXDG-WWNPGLIZSA-N 1 0 484.714 4.049 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCc3ccc(COCc4ccccc4)cc3)c2)CC1 ZINC001326076909 1066284161 /nfs/dbraw/zinc/28/41/61/1066284161.db2.gz HJEHBFMQALZTGG-UHFFFAOYSA-N 1 0 472.633 4.150 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316436409 1066288246 /nfs/dbraw/zinc/28/82/46/1066288246.db2.gz GUKGYGCGBMRBOH-ICSRJNTNSA-N 1 0 451.644 4.196 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cnccn2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001316436411 1066288475 /nfs/dbraw/zinc/28/84/75/1066288475.db2.gz GUKGYGCGBMRBOH-UYAOXDASSA-N 1 0 451.644 4.196 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001316437526 1066291524 /nfs/dbraw/zinc/29/15/24/1066291524.db2.gz BRWJJDYNWLQCFY-FGZHOGPDSA-N 1 0 478.106 4.211 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC1 ZINC001326382891 1066295139 /nfs/dbraw/zinc/29/51/39/1066295139.db2.gz YINQJYJGWIUCEE-UHFFFAOYSA-N 1 0 494.705 4.157 20 0 JIADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326432310 1066296894 /nfs/dbraw/zinc/29/68/94/1066296894.db2.gz OVQVEXKALSYNSB-QFIPXVFZSA-N 1 0 491.463 4.206 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316443860 1066309725 /nfs/dbraw/zinc/30/97/25/1066309725.db2.gz IHSSISLSZDWEJT-ZWKOTPCHSA-N 1 0 452.068 4.145 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC001327091511 1066310660 /nfs/dbraw/zinc/31/06/60/1066310660.db2.gz VMRPRGGKMGSPFV-ROUUACIJSA-N 1 0 460.447 4.407 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001316444868 1066312830 /nfs/dbraw/zinc/31/28/30/1066312830.db2.gz KLIMMIOBQUNKCA-GOTSBHOMSA-N 1 0 493.725 4.437 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492503763 1066317683 /nfs/dbraw/zinc/31/76/83/1066317683.db2.gz USUOABXWUJYBHM-UHFFFAOYSA-N 1 0 466.605 4.425 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492505738 1066323787 /nfs/dbraw/zinc/32/37/87/1066323787.db2.gz DZKNHEZZKDXVOD-YYWHXJBOSA-N 1 0 480.579 4.315 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492506643 1066327028 /nfs/dbraw/zinc/32/70/28/1066327028.db2.gz QNHDWYPCZKMFLQ-GOSISDBHSA-N 1 0 492.571 4.361 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492507559 1066331201 /nfs/dbraw/zinc/33/12/01/1066331201.db2.gz WFZYCHMEWVRRJX-XKCSPQBFSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492507529 1066331327 /nfs/dbraw/zinc/33/13/27/1066331327.db2.gz WBTHBRXWULZPSV-DENIHFKCSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492507558 1066331517 /nfs/dbraw/zinc/33/15/17/1066331517.db2.gz WFZYCHMEWVRRJX-WPYKKVEZSA-N 1 0 497.688 4.262 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316452655 1066334432 /nfs/dbraw/zinc/33/44/32/1066334432.db2.gz XNARPFAIMQJDGA-NHCUHLMSSA-N 1 0 469.703 4.215 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492508687 1066335048 /nfs/dbraw/zinc/33/50/48/1066335048.db2.gz XKUGAIJNGVQYTO-NHCUHLMSSA-N 1 0 454.663 4.409 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)n1 ZINC001492508746 1066335608 /nfs/dbraw/zinc/33/56/08/1066335608.db2.gz YVLHNUIUHOJHHJ-OAQYLSRUSA-N 1 0 497.688 4.264 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)C2)ccn1 ZINC001329440680 1066338174 /nfs/dbraw/zinc/33/81/74/1066338174.db2.gz DXVGIAGMQQMSPS-HSZRJFAPSA-N 1 0 462.594 4.433 20 0 JIADRO CSCCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001316457802 1066348134 /nfs/dbraw/zinc/34/81/34/1066348134.db2.gz ICAQAKGVIAIKOG-HXUWFJFHSA-N 1 0 473.691 4.211 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001316457967 1066348540 /nfs/dbraw/zinc/34/85/40/1066348540.db2.gz AHCGRDLAIJBITA-JOCHJYFZSA-N 1 0 470.687 4.355 20 0 JIADRO Cc1cccc(-c2nnc(N3CCc4c(F)cc(F)cc4C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492513002 1066352246 /nfs/dbraw/zinc/35/22/46/1066352246.db2.gz WXUJMDBPSJRJBZ-HXUWFJFHSA-N 1 0 454.569 4.466 20 0 JIADRO Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492515363 1066359997 /nfs/dbraw/zinc/35/99/97/1066359997.db2.gz ADDAGMRDDUUDBQ-UHFFFAOYSA-N 1 0 494.663 4.408 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316465156 1066364659 /nfs/dbraw/zinc/36/46/59/1066364659.db2.gz FSIIFKNBFOKLLT-LJQANCHMSA-N 1 0 473.668 4.270 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492516952 1066366449 /nfs/dbraw/zinc/36/64/49/1066366449.db2.gz BRPHWGXAPYZRAG-NRFANRHFSA-N 1 0 497.688 4.074 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001316465970 1066367561 /nfs/dbraw/zinc/36/75/61/1066367561.db2.gz NJFRFKMPJCHRNL-UHFFFAOYSA-N 1 0 472.062 4.494 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1 ZINC001332129733 1066371417 /nfs/dbraw/zinc/37/14/17/1066371417.db2.gz ADMHVPCHAMSSHY-UHFFFAOYSA-N 1 0 455.986 4.086 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4ccccc4F)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492518043 1066374535 /nfs/dbraw/zinc/37/45/35/1066374535.db2.gz PJQXVXYEVMMECW-YADHBBJMSA-N 1 0 479.648 4.479 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCCCO2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316470643 1066376380 /nfs/dbraw/zinc/37/63/80/1066376380.db2.gz MOFBIWSEJOWWCR-HXUWFJFHSA-N 1 0 467.749 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492519698 1066382891 /nfs/dbraw/zinc/38/28/91/1066382891.db2.gz TVIHISWKIBCMCS-GOTSBHOMSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492522495 1066390330 /nfs/dbraw/zinc/39/03/30/1066390330.db2.gz TXXMSPSAQWFAPE-FQEVSTJZSA-N 1 0 483.661 4.016 20 0 JIADRO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492523578 1066394957 /nfs/dbraw/zinc/39/49/57/1066394957.db2.gz SKCFMDUGPALGFX-QFIPXVFZSA-N 1 0 452.647 4.331 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCOCC1 ZINC001316481737 1066397146 /nfs/dbraw/zinc/39/71/46/1066397146.db2.gz KTPLJGUXBPXMCA-QFIPXVFZSA-N 1 0 469.674 4.415 20 0 JIADRO C[C@@H]1CCO[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316485330 1066405052 /nfs/dbraw/zinc/40/50/52/1066405052.db2.gz GMFZQUSEIFHXDK-ISKFKSNPSA-N 1 0 453.675 4.437 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1F ZINC001316487825 1066412014 /nfs/dbraw/zinc/41/20/14/1066412014.db2.gz CRSWDAUVNAFRMK-HIFRSBDPSA-N 1 0 456.429 4.438 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1F ZINC001316488246 1066413011 /nfs/dbraw/zinc/41/30/11/1066413011.db2.gz FUJNRAVGMUEMHW-APWZRJJASA-N 1 0 450.400 4.378 20 0 JIADRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001335672536 1066419892 /nfs/dbraw/zinc/41/98/92/1066419892.db2.gz DUXWCNNVKUJBQM-QHCPKHFHSA-N 1 0 460.565 4.058 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(Cl)cc1F ZINC001316491997 1066429253 /nfs/dbraw/zinc/42/92/53/1066429253.db2.gz BNQOGFIKLNKEQN-MRXNPFEDSA-N 1 0 450.002 4.106 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001316492119 1066429306 /nfs/dbraw/zinc/42/93/06/1066429306.db2.gz LMBQBHUSWKVSNE-CRAIPNDOSA-N 1 0 455.500 4.115 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1F ZINC001316492765 1066432972 /nfs/dbraw/zinc/43/29/72/1066432972.db2.gz XGKATGXIWFEVRU-QAPCUYQASA-N 1 0 468.415 4.002 20 0 JIADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316496671 1066445932 /nfs/dbraw/zinc/44/59/32/1066445932.db2.gz WRSPXHZKEPMFMZ-MOPGFXCFSA-N 1 0 472.609 4.062 20 0 JIADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316496675 1066446007 /nfs/dbraw/zinc/44/60/07/1066446007.db2.gz WRSPXHZKEPMFMZ-RTBURBONSA-N 1 0 472.609 4.062 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCOC[C@@H]1CCCO1 ZINC001316497795 1066450986 /nfs/dbraw/zinc/45/09/86/1066450986.db2.gz VBTPPDDMTRDTAL-VWNXMTODSA-N 1 0 469.674 4.163 20 0 JIADRO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316498956 1066456468 /nfs/dbraw/zinc/45/64/68/1066456468.db2.gz HNNFATBHORLLBB-SFTDATJTSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CC=CCC1 ZINC001316504672 1066475672 /nfs/dbraw/zinc/47/56/72/1066475672.db2.gz BHHJJZYTVVXQCB-HNNXBMFYSA-N 1 0 466.449 4.035 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001316505107 1066477276 /nfs/dbraw/zinc/47/72/76/1066477276.db2.gz MAHQMJJMRIAQLK-IBGZPJMESA-N 1 0 499.059 4.376 20 0 JIADRO Clc1ccc(SCc2nnc(N3CCCOCC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001316506132 1066481831 /nfs/dbraw/zinc/48/18/31/1066481831.db2.gz DNJLDZMNWZPCBN-UHFFFAOYSA-N 1 0 450.052 4.327 20 0 JIADRO FC(F)(F)CCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001316512760 1066500534 /nfs/dbraw/zinc/50/05/34/1066500534.db2.gz OGVVYCHMXHXXQM-JOCHJYFZSA-N 1 0 479.591 4.345 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc4c([nH]c(=O)cc4C(F)(F)F)o3)CC2)cc1 ZINC001337951405 1066521708 /nfs/dbraw/zinc/52/17/08/1066521708.db2.gz JKVLMYZWMJXPBI-UHFFFAOYSA-N 1 0 463.456 4.203 20 0 JIADRO Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c(Cl)c2c1 ZINC001338087420 1066529515 /nfs/dbraw/zinc/52/95/15/1066529515.db2.gz BNZGURHXRLHZLA-IBGZPJMESA-N 1 0 452.002 4.199 20 0 JIADRO Fc1ccc(Cc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001316522570 1066530060 /nfs/dbraw/zinc/53/00/60/1066530060.db2.gz FHGUSFPUSQWDBO-KRWDZBQOSA-N 1 0 472.353 4.060 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001316525780 1066540285 /nfs/dbraw/zinc/54/02/85/1066540285.db2.gz OSGLUAYBJYPHNO-UHFFFAOYSA-N 1 0 485.526 4.377 20 0 JIADRO Fc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001316529323 1066547750 /nfs/dbraw/zinc/54/77/50/1066547750.db2.gz UQZGAZIEFNEBCO-KRWDZBQOSA-N 1 0 455.500 4.118 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001338563998 1066564374 /nfs/dbraw/zinc/56/43/74/1066564374.db2.gz XYHOCKQQGVNSOA-UHFFFAOYSA-N 1 0 477.992 4.018 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC001492534924 1066582310 /nfs/dbraw/zinc/58/23/10/1066582310.db2.gz SSSRYNNTDDMKEU-UHFFFAOYSA-N 1 0 492.634 4.481 20 0 JIADRO O=C1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCCCC[NH+]2CCCC2)CCN1 ZINC001316574488 1066592082 /nfs/dbraw/zinc/59/20/82/1066592082.db2.gz NQTAJSJVCFBNIQ-UHFFFAOYSA-N 1 0 479.456 4.234 20 0 JIADRO Cc1cc(CN(C)c2nnc(COc3cccc(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)no1 ZINC001492538804 1066620908 /nfs/dbraw/zinc/62/09/08/1066620908.db2.gz RXRKOKPTKSPEBW-FQEVSTJZSA-N 1 0 452.603 4.363 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C(=O)c4cccs4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001492542065 1066653361 /nfs/dbraw/zinc/65/33/61/1066653361.db2.gz KXLBMIOXLQNYMG-IBGZPJMESA-N 1 0 467.639 4.276 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001346196068 1066655716 /nfs/dbraw/zinc/65/57/16/1066655716.db2.gz MSFGBVMCEZZQQB-PXNSSMCTSA-N 1 0 456.553 4.036 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001492542379 1066656490 /nfs/dbraw/zinc/65/64/90/1066656490.db2.gz NAHBHMZWEQYWDY-MCEYFSPLSA-N 1 0 455.647 4.026 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001492543308 1066665436 /nfs/dbraw/zinc/66/54/36/1066665436.db2.gz HOWMORRUBHXMLG-RPWUZVMVSA-N 1 0 469.674 4.273 20 0 JIADRO CC[NH+]1CCN(CCCNC(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)CC1 ZINC001317827060 1066712454 /nfs/dbraw/zinc/71/24/54/1066712454.db2.gz IHEAVIBJEGXGKH-UHFFFAOYSA-N 1 0 466.029 4.259 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492544946 1066728734 /nfs/dbraw/zinc/72/87/34/1066728734.db2.gz CDYFSMNFICIMKW-HSZRJFAPSA-N 1 0 496.700 4.171 20 0 JIADRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1N1CCCCC1=O ZINC001317855208 1066734558 /nfs/dbraw/zinc/73/45/58/1066734558.db2.gz LCZRZMJIAOXFGV-UHFFFAOYSA-N 1 0 450.583 4.260 20 0 JIADRO Cc1ccc2[nH]c(C(=O)O[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2c1 ZINC001317858847 1066737950 /nfs/dbraw/zinc/73/79/50/1066737950.db2.gz WBPWVBMWYLBJDC-KRWDZBQOSA-N 1 0 453.970 4.456 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2)cc1 ZINC001317859210 1066738522 /nfs/dbraw/zinc/73/85/22/1066738522.db2.gz ASHLVURWWNMLMZ-QHCPKHFHSA-N 1 0 452.002 4.389 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSC(=S)N2CCC(C)CC2)CC1 ZINC001348430643 1066744010 /nfs/dbraw/zinc/74/40/10/1066744010.db2.gz PROOJHKXPVXLJH-UHFFFAOYSA-N 1 0 455.093 4.170 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)cc2)CC1 ZINC001348617411 1066763449 /nfs/dbraw/zinc/76/34/49/1066763449.db2.gz ONCVQBGPDBSREJ-UHFFFAOYSA-N 1 0 490.604 4.231 20 0 JIADRO CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC001317893932 1066763746 /nfs/dbraw/zinc/76/37/46/1066763746.db2.gz XSBKRMZSSDYYOA-UHFFFAOYSA-N 1 0 491.558 4.097 20 0 JIADRO Cc1ccccc1N1C(=S)N[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)C(C(=O)N(C)C)=C1C ZINC001317903949 1066773459 /nfs/dbraw/zinc/77/34/59/1066773459.db2.gz UIAJZVYSYIRLEE-VWLOTQADSA-N 1 0 478.662 4.268 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001349107663 1066809545 /nfs/dbraw/zinc/80/95/45/1066809545.db2.gz AYAJKOFHDBFGEQ-ZRJLEYOISA-N 1 0 467.629 4.110 20 0 JIADRO COc1cccc([C@H](CNC(=O)c2nn(-c3ccccc3F)cc2Br)[NH+]2CCCC2)c1 ZINC001317963105 1066814701 /nfs/dbraw/zinc/81/47/01/1066814701.db2.gz VUVGRQNHDFSWQW-NRFANRHFSA-N 1 0 487.373 4.349 20 0 JIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001349160719 1066815726 /nfs/dbraw/zinc/81/57/26/1066815726.db2.gz NQHYOQXSYVKKOM-DLBZAZTESA-N 1 0 457.537 4.289 20 0 JIADRO Cc1ccc(C)c(N2N=C(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)CCC2=O)c1 ZINC001349561684 1066854292 /nfs/dbraw/zinc/85/42/92/1066854292.db2.gz LGQYUXSRRMQHBB-QFIPXVFZSA-N 1 0 452.624 4.437 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSCC(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC001318027854 1066859674 /nfs/dbraw/zinc/85/96/74/1066859674.db2.gz WZUTUTKIFCDRNZ-UHFFFAOYSA-N 1 0 490.467 4.164 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)cc1 ZINC001349756549 1066881308 /nfs/dbraw/zinc/88/13/08/1066881308.db2.gz ZVKJEGAECWWULV-UHFFFAOYSA-N 1 0 450.505 4.095 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001318065655 1066881500 /nfs/dbraw/zinc/88/15/00/1066881500.db2.gz XTYQZJZAHVIKEL-QHCPKHFHSA-N 1 0 469.651 4.404 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)(C(F)(F)F)C1 ZINC001349792223 1066883705 /nfs/dbraw/zinc/88/37/05/1066883705.db2.gz DWNGYFGDVFCUPH-IIBYNOLFSA-N 1 0 459.509 4.112 20 0 JIADRO Cc1cc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1N1CC[NH+](C)CC1 ZINC001318072558 1066884648 /nfs/dbraw/zinc/88/46/48/1066884648.db2.gz NKGJSNAWKATSJO-UHFFFAOYSA-N 1 0 481.604 4.316 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC001318096013 1066896877 /nfs/dbraw/zinc/89/68/77/1066896877.db2.gz DYJSAOMMDHUMMQ-LJQANCHMSA-N 1 0 475.383 4.184 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)CC2)cc1 ZINC001318098941 1066898670 /nfs/dbraw/zinc/89/86/70/1066898670.db2.gz KOGJPPKDQIEZJJ-UHFFFAOYSA-N 1 0 458.606 4.200 20 0 JIADRO COc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(OC)c1OC ZINC001349961721 1066900281 /nfs/dbraw/zinc/90/02/81/1066900281.db2.gz MOICIAMUBOOXHF-FUFSCUOVSA-N 1 0 474.601 4.419 20 0 JIADRO Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)N2C(=O)OC(C)(C)C ZINC001350049133 1066909127 /nfs/dbraw/zinc/90/91/27/1066909127.db2.gz PQTYXJQTCOZRTB-LEWJYISDSA-N 1 0 457.546 4.347 20 0 JIADRO COc1ccc(C)cc1N1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1=O ZINC001350062638 1066910997 /nfs/dbraw/zinc/91/09/97/1066910997.db2.gz QWHGIIIRXMCYBF-TZIWHRDSSA-N 1 0 455.624 4.007 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnnn3-c3cc(Cl)ccc3Cl)c(C)c2)CC1 ZINC001350135222 1066922679 /nfs/dbraw/zinc/92/26/79/1066922679.db2.gz SCYLMMFJLSANRZ-UHFFFAOYSA-N 1 0 459.381 4.277 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001318164070 1066932658 /nfs/dbraw/zinc/93/26/58/1066932658.db2.gz GNGMWJLCEOKQDT-HXUWFJFHSA-N 1 0 458.628 4.409 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCC(Nc3ccccc3)CC2)CC1 ZINC001318177496 1066941108 /nfs/dbraw/zinc/94/11/08/1066941108.db2.gz XHFCYTHNAGYECX-HXUWFJFHSA-N 1 0 453.606 4.315 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(-n4cnc5ccccc54)nc3)CC2)cc1 ZINC001318194477 1066951540 /nfs/dbraw/zinc/95/15/40/1066951540.db2.gz RXBIXRMYSBSLFE-UHFFFAOYSA-N 1 0 454.578 4.146 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318195359 1066952195 /nfs/dbraw/zinc/95/21/95/1066952195.db2.gz SYTOAYSCBBUHPY-XMMPIXPASA-N 1 0 482.028 4.462 20 0 JIADRO Cc1cc(COc2ccc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc2Br)on1 ZINC001318255540 1066986465 /nfs/dbraw/zinc/98/64/65/1066986465.db2.gz ZEOQAYCSELENAD-UHFFFAOYSA-N 1 0 499.409 4.006 20 0 JIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c12 ZINC001318262950 1066989708 /nfs/dbraw/zinc/98/97/08/1066989708.db2.gz UNLNKIGZLREWSK-UHFFFAOYSA-N 1 0 462.642 4.300 20 0 JIADRO C[C@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cc(F)c(Cl)cc1Cl ZINC001318280752 1067000028 /nfs/dbraw/zinc/00/00/28/1067000028.db2.gz MVOSXWXEVGFOJM-HNNXBMFYSA-N 1 0 453.389 4.440 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC001318289683 1067004315 /nfs/dbraw/zinc/00/43/15/1067004315.db2.gz JWYAKSJTZQGWQU-RUZDIDTESA-N 1 0 486.595 4.168 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)OC ZINC001300683646 1067020844 /nfs/dbraw/zinc/02/08/44/1067020844.db2.gz LXPUVVUXJTXLSY-LJQANCHMSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC=C(C)C ZINC001300684366 1067023670 /nfs/dbraw/zinc/02/36/70/1067023670.db2.gz UHVAUTDTFQWKEV-OAQYLSRUSA-N 1 0 471.671 4.094 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001300684371 1067023911 /nfs/dbraw/zinc/02/39/11/1067023911.db2.gz UJZKKOBMCSEDSU-JOCHJYFZSA-N 1 0 473.687 4.316 20 0 JIADRO C[C@]1(c2cccc(C[NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)c2)NC(=O)NC1=O ZINC001318346263 1067026302 /nfs/dbraw/zinc/02/63/02/1067026302.db2.gz FAVUDJJLJYKCAG-RUZDIDTESA-N 1 0 494.389 4.373 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 ZINC001318347491 1067026577 /nfs/dbraw/zinc/02/65/77/1067026577.db2.gz HGPVDVILINKCKU-OAQYLSRUSA-N 1 0 468.617 4.074 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300685743 1067026847 /nfs/dbraw/zinc/02/68/47/1067026847.db2.gz BCTFBWGXADUISY-OKZBNKHCSA-N 1 0 461.701 4.392 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001318347479 1067027029 /nfs/dbraw/zinc/02/70/29/1067027029.db2.gz GRZXAWBTYNJOMC-FQEVSTJZSA-N 1 0 481.044 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300686793 1067029670 /nfs/dbraw/zinc/02/96/70/1067029670.db2.gz JUUXABWGBFLMJS-UHFFFAOYSA-N 1 0 461.701 4.397 20 0 JIADRO Cc1ccc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)cc1I ZINC001350999313 1067029948 /nfs/dbraw/zinc/02/99/48/1067029948.db2.gz ALRWXAWKWVOQIC-UHFFFAOYSA-N 1 0 452.336 4.111 20 0 JIADRO COc1ccc([C@H](CNC(=O)C2(c3cncc(Br)c3)CC2)[NH+]2CCCCC2)cc1 ZINC001351032409 1067034873 /nfs/dbraw/zinc/03/48/73/1067034873.db2.gz AYTQJCHONUPDHW-NRFANRHFSA-N 1 0 458.400 4.228 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001492548781 1067044376 /nfs/dbraw/zinc/04/43/76/1067044376.db2.gz KXDIMYUTHPXUJX-FYYLOGMGSA-N 1 0 457.688 4.475 20 0 JIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001318476548 1067047248 /nfs/dbraw/zinc/04/72/48/1067047248.db2.gz HVDJPNIXUACKDE-SFHVURJKSA-N 1 0 471.374 4.068 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001318479725 1067047644 /nfs/dbraw/zinc/04/76/44/1067047644.db2.gz VEFJPRFOLKXSLL-WMZHIEFXSA-N 1 0 485.650 4.400 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001318493969 1067048743 /nfs/dbraw/zinc/04/87/43/1067048743.db2.gz HZYVMGRSZGXKSK-UHFFFAOYSA-N 1 0 475.433 4.171 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC1 ZINC001318509931 1067050302 /nfs/dbraw/zinc/05/03/02/1067050302.db2.gz SVABJURJDDNYKX-UHFFFAOYSA-N 1 0 468.495 4.177 20 0 JIADRO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1Cl ZINC001351156370 1067053915 /nfs/dbraw/zinc/05/39/15/1067053915.db2.gz ARQPDMXMOOVOLL-RTBURBONSA-N 1 0 454.983 4.010 20 0 JIADRO O=C(NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1C(F)(F)F ZINC001318630002 1067057705 /nfs/dbraw/zinc/05/77/05/1067057705.db2.gz MJWBELZSPFCFAC-UHFFFAOYSA-N 1 0 465.479 4.473 20 0 JIADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001351221976 1067060720 /nfs/dbraw/zinc/06/07/20/1067060720.db2.gz XDZDWANBXZFTEN-UHFFFAOYSA-N 1 0 450.970 4.247 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)[NH+]1CCC(C)CC1 ZINC001318981579 1067063013 /nfs/dbraw/zinc/06/30/13/1067063013.db2.gz NGKALQSCVHGLFO-LJQANCHMSA-N 1 0 451.384 4.260 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)CC2)cc1 ZINC001319056074 1067065742 /nfs/dbraw/zinc/06/57/42/1067065742.db2.gz FFTCQACDUJVEOM-MHZLTWQESA-N 1 0 469.585 4.285 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732267 1067067256 /nfs/dbraw/zinc/06/72/56/1067067256.db2.gz UYRVGCCIUOHQPW-RZFNWQHOSA-N 1 0 453.583 4.141 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732261 1067067450 /nfs/dbraw/zinc/06/74/50/1067067450.db2.gz UYRVGCCIUOHQPW-JZWVFAODSA-N 1 0 453.583 4.141 20 0 JIADRO Cc1cc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)ccc1N1CC[NH+](C)CC1 ZINC001319282045 1067070804 /nfs/dbraw/zinc/07/08/04/1067070804.db2.gz AGXNONZWTNUVCS-UHFFFAOYSA-N 1 0 490.435 4.044 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc(NC(=O)c4ccccn4)c3)CC2)cc1 ZINC001319301769 1067071922 /nfs/dbraw/zinc/07/19/22/1067071922.db2.gz CJDBWUKHWPHDBH-UHFFFAOYSA-N 1 0 457.578 4.060 20 0 JIADRO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C(C)(C)C)CC3)cc2)cc1 ZINC001319384457 1067072751 /nfs/dbraw/zinc/07/27/51/1067072751.db2.gz XZVUWJWOONPXKX-UHFFFAOYSA-N 1 0 471.667 4.019 20 0 JIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001351312549 1067074533 /nfs/dbraw/zinc/07/45/33/1067074533.db2.gz IZBROBUJWQWXFZ-RBUKOAKNSA-N 1 0 453.421 4.492 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)nc(C)[nH]c2=O)c1cccc(Br)c1 ZINC001351312513 1067074737 /nfs/dbraw/zinc/07/47/37/1067074737.db2.gz ISMPYQNWJMBVLW-UHFFFAOYSA-N 1 0 457.372 4.395 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001320102984 1067086344 /nfs/dbraw/zinc/08/63/44/1067086344.db2.gz OTYYHWZZUGEKRI-NFBKMPQASA-N 1 0 490.570 4.220 20 0 JIADRO Cc1ccc(OCc2nc(CNc3ccc(OCCN4CC[NH+](C)CC4)cc3)cs2)cc1 ZINC001200790916 1067126045 /nfs/dbraw/zinc/12/60/45/1067126045.db2.gz DHYTZKMBQGZTCI-UHFFFAOYSA-N 1 0 452.624 4.269 20 0 JIADRO COc1cccc([C@@H](CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)[NH+](C)C)c1 ZINC001321429062 1067127306 /nfs/dbraw/zinc/12/73/06/1067127306.db2.gz CMHTULMNPXYPOR-RUZDIDTESA-N 1 0 457.578 4.138 20 0 JIADRO CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[C@@H]1c1ccccc1OC ZINC001321429113 1067128014 /nfs/dbraw/zinc/12/80/14/1067128014.db2.gz DBWTYULUWCPYMX-CUBQBAPOSA-N 1 0 492.664 4.474 20 0 JIADRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]Cc1cn(-c3ccc(Cl)cc3Cl)nn1)C2 ZINC001474758041 1067134302 /nfs/dbraw/zinc/13/43/02/1067134302.db2.gz WLKIHEQPEGXNPF-UHFFFAOYSA-N 1 0 452.386 4.500 20 0 JIADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c2ccccc2)CC1 ZINC001321485367 1067142143 /nfs/dbraw/zinc/14/21/43/1067142143.db2.gz HMWMFSBDCFELJP-AREMUKBSSA-N 1 0 480.616 4.016 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC001321549105 1067162025 /nfs/dbraw/zinc/16/20/25/1067162025.db2.gz ACTHWVBFPBOZSH-UHFFFAOYSA-N 1 0 474.552 4.440 20 0 JIADRO C[N@@H+]1C[C@@H]2CCCN(C(=S)Nc3c(F)cc(Br)cc3Br)[C@@H]2C1 ZINC001200798438 1067173895 /nfs/dbraw/zinc/17/38/95/1067173895.db2.gz BFXZLGSMOKLHSU-TVQRCGJNSA-N 1 0 451.203 4.074 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001321621589 1067178687 /nfs/dbraw/zinc/17/86/87/1067178687.db2.gz UHDLSILBDLWUEG-UHFFFAOYSA-N 1 0 484.666 4.165 20 0 JIADRO C[N@H+](C1CC1)[C@@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200801890 1067205188 /nfs/dbraw/zinc/20/51/88/1067205188.db2.gz QGJUXUUESAOVGB-LLVKDONJSA-N 1 0 451.203 4.216 20 0 JIADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@H](O)c1ccccc1F ZINC001200802007 1067206141 /nfs/dbraw/zinc/20/61/41/1067206141.db2.gz DNXKRACXKUZWEK-FUHWJXTLSA-N 1 0 459.299 4.049 20 0 JIADRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001354856993 1067206792 /nfs/dbraw/zinc/20/67/92/1067206792.db2.gz DXGRBDIEBIQKAC-WOJBJXKFSA-N 1 0 480.659 4.178 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001492549328 1067213342 /nfs/dbraw/zinc/21/33/42/1067213342.db2.gz XGDBPORPPCEIFQ-UHFFFAOYSA-N 1 0 455.647 4.435 20 0 JIADRO Cc1cc(NC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001321957663 1067232296 /nfs/dbraw/zinc/23/22/96/1067232296.db2.gz OCTRQQWWKDTUIN-KRWDZBQOSA-N 1 0 450.505 4.355 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC001354878557 1067236593 /nfs/dbraw/zinc/23/65/93/1067236593.db2.gz TZFLZZDUJDYACF-VXKWHMMOSA-N 1 0 450.465 4.459 20 0 JIADRO Cc1c(C(=O)N2CCOCC2)c(NC(=O)C2CC[NH+](C(C)C)CC2)sc1-c1ccccc1 ZINC001351905701 1067240446 /nfs/dbraw/zinc/24/04/46/1067240446.db2.gz OPSYMYHEAJQFQW-UHFFFAOYSA-N 1 0 455.624 4.255 20 0 JIADRO COc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc(Cl)c1OC ZINC001351934303 1067248259 /nfs/dbraw/zinc/24/82/59/1067248259.db2.gz DXZKJYHAFBWHTA-UHFFFAOYSA-N 1 0 484.822 4.393 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001322122546 1067254046 /nfs/dbraw/zinc/25/40/46/1067254046.db2.gz YYPLCPRVTYYXLG-KRWDZBQOSA-N 1 0 463.500 4.185 20 0 JIADRO C[C@@H](C(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001300746951 1067258445 /nfs/dbraw/zinc/25/84/45/1067258445.db2.gz DKLKEPOXBCIMAP-KRWDZBQOSA-N 1 0 459.512 4.373 20 0 JIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001352019087 1067270680 /nfs/dbraw/zinc/27/06/80/1067270680.db2.gz MKSIEGFJYRNHFT-HNAYVOBHSA-N 1 0 450.366 4.283 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[NH+]1CCCCC1 ZINC001322304369 1067271996 /nfs/dbraw/zinc/27/19/96/1067271996.db2.gz RNNNNHBSIJSWIO-RUZDIDTESA-N 1 0 484.604 4.456 20 0 JIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001322308420 1067273686 /nfs/dbraw/zinc/27/36/86/1067273686.db2.gz TUIQVLFJIAPJHJ-HSZRJFAPSA-N 1 0 469.593 4.012 20 0 JIADRO CCSc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(Br)c1 ZINC001352039838 1067274187 /nfs/dbraw/zinc/27/41/87/1067274187.db2.gz KKPRBRFUROOODY-UHFFFAOYSA-N 1 0 455.462 4.255 20 0 JIADRO C[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC001352045898 1067274774 /nfs/dbraw/zinc/27/47/74/1067274774.db2.gz DZXUIXSZBRXRKS-OAHLLOKOSA-N 1 0 452.336 4.111 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001322324831 1067276286 /nfs/dbraw/zinc/27/62/86/1067276286.db2.gz SPFIKLTXECAAAR-UHFFFAOYSA-N 1 0 458.587 4.126 20 0 JIADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001322351017 1067281433 /nfs/dbraw/zinc/28/14/33/1067281433.db2.gz SBXHRFHJOWNAAK-OTWHNJEPSA-N 1 0 459.612 4.370 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N[C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001200820398 1067291108 /nfs/dbraw/zinc/29/11/08/1067291108.db2.gz ZFSYUTPDLLMLME-SFHVURJKSA-N 1 0 479.477 4.403 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N[C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001200820397 1067291208 /nfs/dbraw/zinc/29/12/08/1067291208.db2.gz ZFSYUTPDLLMLME-GOSISDBHSA-N 1 0 479.477 4.403 20 0 JIADRO Cc1cc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n(-c2ccc(C)cc2)n1 ZINC001322460921 1067296781 /nfs/dbraw/zinc/29/67/81/1067296781.db2.gz PVACFASYCCUTFR-LJQANCHMSA-N 1 0 450.562 4.263 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nnc(-c4ccccc4)cc3C(F)(F)F)c2)C1 ZINC001322582072 1067304208 /nfs/dbraw/zinc/30/42/08/1067304208.db2.gz SGMLNUQUYRHTHD-FQEVSTJZSA-N 1 0 469.511 4.472 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC001322697713 1067307655 /nfs/dbraw/zinc/30/76/55/1067307655.db2.gz GQKDJCMSMUYTTP-UHFFFAOYSA-N 1 0 469.585 4.259 20 0 JIADRO CCNC(=O)COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001354964846 1067308289 /nfs/dbraw/zinc/30/82/89/1067308289.db2.gz BLMYTGSUWRVXPB-GGXMVOPNSA-N 1 0 471.601 4.230 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)c1ccccc1 ZINC001354972475 1067310654 /nfs/dbraw/zinc/31/06/54/1067310654.db2.gz WWRODVUPUWZTKT-HSZRJFAPSA-N 1 0 459.546 4.197 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492579134 1067312213 /nfs/dbraw/zinc/31/22/13/1067312213.db2.gz DNKHOFUCTIWVBU-WNCULLNHSA-N 1 0 469.674 4.070 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492579160 1067312618 /nfs/dbraw/zinc/31/26/18/1067312618.db2.gz FECNMIVYUJOWCA-FPOVZHCZSA-N 1 0 479.591 4.455 20 0 JIADRO COc1ccc([C@@H](CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC001323086099 1067313646 /nfs/dbraw/zinc/31/36/46/1067313646.db2.gz XJIWZKISPIBGKH-AHKZPQOWSA-N 1 0 473.621 4.454 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C1 ZINC001352237331 1067314793 /nfs/dbraw/zinc/31/47/93/1067314793.db2.gz KSEBUBCZPBJUAL-GOSISDBHSA-N 1 0 458.484 4.153 20 0 JIADRO Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1C(C)C ZINC001352237866 1067315282 /nfs/dbraw/zinc/31/52/82/1067315282.db2.gz MQROFNTYDSBUOU-OAQYLSRUSA-N 1 0 459.594 4.254 20 0 JIADRO CN1CC[N@H+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@H](c2ccccc2)C1 ZINC001323217155 1067316169 /nfs/dbraw/zinc/31/61/69/1067316169.db2.gz JFBIKBNSMNWKSC-DEOSSOPVSA-N 1 0 461.610 4.096 20 0 JIADRO COc1cccc([C@@H](CNC(=O)N2CC[NH+](C(C)(C)C)CC2)c2c[nH]c3ccccc32)c1OC ZINC001323632131 1067324488 /nfs/dbraw/zinc/32/44/88/1067324488.db2.gz ZWPGHWORTKENBH-JOCHJYFZSA-N 1 0 464.610 4.443 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001300777654 1067331961 /nfs/dbraw/zinc/33/19/61/1067331961.db2.gz ZGZAJZJVYIYVCZ-XMSQKQJNSA-N 1 0 468.671 4.378 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(Br)cn3ccnc23)[NH+]2CCCCC2)cc1 ZINC001352319036 1067331841 /nfs/dbraw/zinc/33/18/41/1067331841.db2.gz VVEWWDXULHLSSN-HXUWFJFHSA-N 1 0 457.372 4.062 20 0 JIADRO COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001352340100 1067334705 /nfs/dbraw/zinc/33/47/05/1067334705.db2.gz AMACUJOADDLGIF-NHCUHLMSSA-N 1 0 466.603 4.306 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492552827 1067339071 /nfs/dbraw/zinc/33/90/71/1067339071.db2.gz FGDWBJDBOFJROJ-BXXSPATCSA-N 1 0 455.647 4.177 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001300783269 1067340778 /nfs/dbraw/zinc/34/07/78/1067340778.db2.gz AIRMXCIWIPMKRM-WBADGQHESA-N 1 0 455.647 4.115 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300001769 1067341179 /nfs/dbraw/zinc/34/11/79/1067341179.db2.gz XRQUWVRMLUZBBS-INIZCTEOSA-N 1 0 469.552 4.471 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492498261 1067341667 /nfs/dbraw/zinc/34/16/67/1067341667.db2.gz WXZVUNLYXRGCHP-AZUAARDMSA-N 1 0 496.059 4.497 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NCCNC(=O)c1ccc(C)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC001355023526 1067342584 /nfs/dbraw/zinc/34/25/84/1067342584.db2.gz UQNBUTOKPQDHFZ-HXUWFJFHSA-N 1 0 453.480 4.082 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(C(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001492553100 1067342848 /nfs/dbraw/zinc/34/28/48/1067342848.db2.gz FYVLFZSQMVJRTO-UHFFFAOYSA-N 1 0 466.674 4.231 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300002754 1067343986 /nfs/dbraw/zinc/34/39/86/1067343986.db2.gz UFEIWIHENIQZOJ-IBGZPJMESA-N 1 0 499.681 4.470 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001300784795 1067344516 /nfs/dbraw/zinc/34/45/16/1067344516.db2.gz GJUKBMNGULUEHH-HSZRJFAPSA-N 1 0 487.664 4.473 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001300785526 1067346930 /nfs/dbraw/zinc/34/69/30/1067346930.db2.gz DXVDJVUJMMEKRC-RUZDIDTESA-N 1 0 499.700 4.369 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300785609 1067347283 /nfs/dbraw/zinc/34/72/83/1067347283.db2.gz HSINDEBFCMCRAF-WOJBJXKFSA-N 1 0 473.637 4.368 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c(OC)c1 ZINC001300003655 1067347869 /nfs/dbraw/zinc/34/78/69/1067347869.db2.gz XVMSEKAQLOKPGZ-HXUWFJFHSA-N 1 0 499.681 4.470 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001300785916 1067348168 /nfs/dbraw/zinc/34/81/68/1067348168.db2.gz OUAOSCCEAYINFU-SFHVURJKSA-N 1 0 462.708 4.453 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300003677 1067348499 /nfs/dbraw/zinc/34/84/99/1067348499.db2.gz QLHWAZGVHLBVAV-GOSISDBHSA-N 1 0 484.670 4.484 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001300786713 1067349445 /nfs/dbraw/zinc/34/94/45/1067349445.db2.gz OSSTYUGZTHYIMW-UHFFFAOYSA-N 1 0 498.697 4.456 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(Br)c(F)cc2F)cc1 ZINC001352355095 1067349547 /nfs/dbraw/zinc/34/95/47/1067349547.db2.gz MQICBCXENCPQDX-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001300787082 1067350232 /nfs/dbraw/zinc/35/02/32/1067350232.db2.gz UJANQKBJJGCBKZ-GOSISDBHSA-N 1 0 478.106 4.353 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001300787495 1067351174 /nfs/dbraw/zinc/35/11/74/1067351174.db2.gz WTIGVSWKTZGIGW-UHFFFAOYSA-N 1 0 474.700 4.221 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4cccn4C)nnc3N(C)[C@@H](C)CCSC)CCCC2)CC1 ZINC001300787579 1067351594 /nfs/dbraw/zinc/35/15/94/1067351594.db2.gz VGLUCRGCQCDLFF-FQEVSTJZSA-N 1 0 474.719 4.285 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)C/C(C)=C/c2ccccc2)CC1 ZINC001300787506 1067351610 /nfs/dbraw/zinc/35/16/10/1067351610.db2.gz WWEBAEWHPWRVFA-ZGZCKBCJSA-N 1 0 467.658 4.211 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccsc3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300005108 1067351844 /nfs/dbraw/zinc/35/18/44/1067351844.db2.gz BLEYNHLNDFARNC-UHFFFAOYSA-N 1 0 455.628 4.392 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300006422 1067355021 /nfs/dbraw/zinc/35/50/21/1067355021.db2.gz OIKQZPQDLBJTNP-IBGZPJMESA-N 1 0 470.643 4.176 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001300006398 1067355115 /nfs/dbraw/zinc/35/51/15/1067355115.db2.gz KTBDZHYNBZYJTC-UHFFFAOYSA-N 1 0 478.410 4.162 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300006810 1067356009 /nfs/dbraw/zinc/35/60/09/1067356009.db2.gz RIKVLUYYMZVRPT-UHFFFAOYSA-N 1 0 470.643 4.177 20 0 JIADRO COC1CC[NH+](C2(Cn3c(Cn4nc(C)cc4C)nnc3N(CC(C)C)C(C)C)CCCC2)CC1 ZINC001300792709 1067363497 /nfs/dbraw/zinc/36/34/97/1067363497.db2.gz YSUPYVCLWUECNU-UHFFFAOYSA-N 1 0 485.721 4.434 20 0 JIADRO CS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)cc1Cl ZINC001352384359 1067367799 /nfs/dbraw/zinc/36/77/99/1067367799.db2.gz IOLDLWQOXOBSLH-UHFFFAOYSA-N 1 0 455.407 4.313 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492554439 1067368836 /nfs/dbraw/zinc/36/88/36/1067368836.db2.gz WNFYENBNDICRHL-NRFANRHFSA-N 1 0 452.647 4.142 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300016504 1067375915 /nfs/dbraw/zinc/37/59/15/1067375915.db2.gz BYKISWLDZNGKKO-KCZVDYSFSA-N 1 0 485.673 4.334 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[NH+]1CCCCCC1 ZINC001492580896 1067377517 /nfs/dbraw/zinc/37/75/17/1067377517.db2.gz PSWVNEORWFLRGG-UHFFFAOYSA-N 1 0 477.575 4.401 20 0 JIADRO CC1(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001355137465 1067378727 /nfs/dbraw/zinc/37/87/27/1067378727.db2.gz ACDRAHGRRMUADL-FQEVSTJZSA-N 1 0 459.512 4.229 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001300017474 1067379187 /nfs/dbraw/zinc/37/91/87/1067379187.db2.gz PQPXPZBIGPEMPF-HOTGVXAUSA-N 1 0 466.424 4.082 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001492581940 1067388437 /nfs/dbraw/zinc/38/84/37/1067388437.db2.gz TWRUFKIDWWMCPE-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300023027 1067390954 /nfs/dbraw/zinc/39/09/54/1067390954.db2.gz BKPGCLVNNVTEOV-OALUTQOASA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026820 1067399448 /nfs/dbraw/zinc/39/94/48/1067399448.db2.gz FRNQBCGJGFISPS-UYAOXDASSA-N 1 0 459.660 4.024 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001355286796 1067404504 /nfs/dbraw/zinc/40/45/04/1067404504.db2.gz AGPARLGBLLQVSH-QHCPKHFHSA-N 1 0 452.599 4.076 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032953 1067429517 /nfs/dbraw/zinc/42/95/17/1067429517.db2.gz JTFAOLCINITDJL-IRLDBZIGSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001300032999 1067430461 /nfs/dbraw/zinc/43/04/61/1067430461.db2.gz KHRVBPRIFPAVNN-IRXDYDNUSA-N 1 0 494.503 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001300035817 1067442707 /nfs/dbraw/zinc/44/27/07/1067442707.db2.gz FGNVKBBOZINACN-DOXZYTNZSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300038050 1067450224 /nfs/dbraw/zinc/45/02/24/1067450224.db2.gz KJFHYJQOBYEXNG-JOCHJYFZSA-N 1 0 465.646 4.190 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1OC ZINC001300040184 1067459702 /nfs/dbraw/zinc/45/97/02/1067459702.db2.gz HZPVWVDCMORVQJ-NZQKXSOJSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1OC ZINC001300040183 1067460026 /nfs/dbraw/zinc/46/00/26/1067460026.db2.gz HZPVWVDCMORVQJ-NFBKMPQASA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300041553 1067472398 /nfs/dbraw/zinc/47/23/98/1067472398.db2.gz IVBLSCGUBMNKKM-GOSISDBHSA-N 1 0 463.573 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300041955 1067476442 /nfs/dbraw/zinc/47/64/42/1067476442.db2.gz WVBCYIALDNWEDD-QFIPXVFZSA-N 1 0 498.480 4.299 20 0 JIADRO C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001355480987 1067484063 /nfs/dbraw/zinc/48/40/63/1067484063.db2.gz PTWFPDMSRIYLLA-SFHVURJKSA-N 1 0 453.974 4.170 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC[NH+]2CCCC2)cc1Br ZINC001300045469 1067493921 /nfs/dbraw/zinc/49/39/21/1067493921.db2.gz GVCVLYAJOAQFCD-UHFFFAOYSA-N 1 0 492.462 4.206 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001355525072 1067498526 /nfs/dbraw/zinc/49/85/26/1067498526.db2.gz GHLLFZJVDLZMHI-DYESRHJHSA-N 1 0 450.366 4.092 20 0 JIADRO Cc1nc(SC2CCCC2)sc1CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355567523 1067512521 /nfs/dbraw/zinc/51/25/21/1067512521.db2.gz PJNUABLFQDOPEP-UHFFFAOYSA-N 1 0 451.702 4.428 20 0 JIADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355568637 1067512824 /nfs/dbraw/zinc/51/28/24/1067512824.db2.gz XYFCJSUCZOACBS-QGZVFWFLSA-N 1 0 455.412 4.166 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300051120 1067512902 /nfs/dbraw/zinc/51/29/02/1067512902.db2.gz BZYIVAFROHCZGS-WOVHNISZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001300051115 1067512937 /nfs/dbraw/zinc/51/29/37/1067512937.db2.gz XXJQDFGFFWUPHN-PKOBYXMFSA-N 1 0 463.573 4.176 20 0 JIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(c3nccc4sccc43)CC2)cc1 ZINC001200070539 1067514810 /nfs/dbraw/zinc/51/48/10/1067514810.db2.gz PGUPMURBTQCHAY-UHFFFAOYSA-N 1 0 453.612 4.371 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300051728 1067517316 /nfs/dbraw/zinc/51/73/16/1067517316.db2.gz OAZOVJKTSKANNQ-HJPURHCSSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300051632 1067517502 /nfs/dbraw/zinc/51/75/02/1067517502.db2.gz LLXOSXQGBGPMAU-RXFWQSSRSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300052884 1067525231 /nfs/dbraw/zinc/52/52/31/1067525231.db2.gz FFRBZLMHZBEEIX-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCSCC(F)(F)F ZINC001492582478 1067526747 /nfs/dbraw/zinc/52/67/47/1067526747.db2.gz JHJRIVJCUQYZKQ-UHFFFAOYSA-N 1 0 497.631 4.021 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300053885 1067529129 /nfs/dbraw/zinc/52/91/29/1067529129.db2.gz LYOPBBUGMHGMLL-FGZHOGPDSA-N 1 0 496.700 4.064 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492582811 1067533168 /nfs/dbraw/zinc/53/31/68/1067533168.db2.gz UKHYLIOGPNGWLP-XMMPIXPASA-N 1 0 483.701 4.198 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001492582847 1067534200 /nfs/dbraw/zinc/53/42/00/1067534200.db2.gz VJZQJWXBYHDHCE-UHFFFAOYSA-N 1 0 469.674 4.072 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001300056932 1067542712 /nfs/dbraw/zinc/54/27/12/1067542712.db2.gz PCXNQAZVNMQXPB-PKOBYXMFSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300058637 1067551099 /nfs/dbraw/zinc/55/10/99/1067551099.db2.gz FOJNKMNAVVHZGB-VIZSFHNOSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(-c2nnc(N3CCCN(C(=O)c4ccsc4)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001300061365 1067563637 /nfs/dbraw/zinc/56/36/37/1067563637.db2.gz FCGLLCSRDDMTHO-UHFFFAOYSA-N 1 0 496.681 4.098 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492583651 1067564465 /nfs/dbraw/zinc/56/44/65/1067564465.db2.gz QLPXHEQGYQQMBC-UHFFFAOYSA-N 1 0 498.075 4.256 20 0 JIADRO COc1ccc(-c2nnc(N3CCCCCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300061746 1067566114 /nfs/dbraw/zinc/56/61/14/1067566114.db2.gz PDUUFBJPXGHKPG-SFTDATJTSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)C)cc1Br ZINC001300061923 1067566754 /nfs/dbraw/zinc/56/67/54/1067566754.db2.gz RRMHDPPDVVBVDJ-UHFFFAOYSA-N 1 0 450.425 4.293 20 0 JIADRO COc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1Br ZINC001300063330 1067572183 /nfs/dbraw/zinc/57/21/83/1067572183.db2.gz PTSWKYMIAMBGQA-GOSISDBHSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1Br ZINC001300063331 1067572322 /nfs/dbraw/zinc/57/23/22/1067572322.db2.gz PTSWKYMIAMBGQA-SFHVURJKSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001300066620 1067581111 /nfs/dbraw/zinc/58/11/11/1067581111.db2.gz DNOUERLVDWLWGC-HXUWFJFHSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300066773 1067582132 /nfs/dbraw/zinc/58/21/32/1067582132.db2.gz GFFNBKRLJVDEEL-FQEVSTJZSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300067514 1067583553 /nfs/dbraw/zinc/58/35/53/1067583553.db2.gz PISFTUZBOCNHPK-RTBURBONSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300067513 1067583584 /nfs/dbraw/zinc/58/35/84/1067583584.db2.gz PISFTUZBOCNHPK-OALUTQOASA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCCOC(C)C)cc1OC ZINC001300070361 1067590879 /nfs/dbraw/zinc/59/08/79/1067590879.db2.gz FTJVZBOMJDGVOT-UHFFFAOYSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(F)(F)F)c(OC)c1 ZINC001300072164 1067594711 /nfs/dbraw/zinc/59/47/11/1067594711.db2.gz YSXWCHPNZXFWAP-UHFFFAOYSA-N 1 0 467.536 4.225 20 0 JIADRO C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001352640170 1067596487 /nfs/dbraw/zinc/59/64/87/1067596487.db2.gz PUOJEABYQQFKPX-KRWDZBQOSA-N 1 0 458.484 4.051 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C[C@@H](C)SC)cc1Br ZINC001300075701 1067601961 /nfs/dbraw/zinc/60/19/61/1067601961.db2.gz IMPOUJOOTZZGLL-NVXWUHKLSA-N 1 0 480.476 4.142 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCC=C(C)C)c(OC)c1 ZINC001300075582 1067602006 /nfs/dbraw/zinc/60/20/06/1067602006.db2.gz FSRXPGFDJOPXQU-DHIUTWEWSA-N 1 0 496.700 4.313 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CSCCS2)cc1 ZINC001300076518 1067604319 /nfs/dbraw/zinc/60/43/19/1067604319.db2.gz UEUNMTFUYPVRPA-NRFANRHFSA-N 1 0 475.728 4.361 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300078554 1067612768 /nfs/dbraw/zinc/61/27/68/1067612768.db2.gz JULZKHNROHQMDR-OYRHEFFESA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001300083130 1067621893 /nfs/dbraw/zinc/62/18/93/1067621893.db2.gz JYRUJEMYOCFLIY-QZTJIDSGSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001300084606 1067625114 /nfs/dbraw/zinc/62/51/14/1067625114.db2.gz YDHMYGWUXOCFRG-KRWDZBQOSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300087609 1067633564 /nfs/dbraw/zinc/63/35/64/1067633564.db2.gz IDWQRIGZUYUFJB-UXHICEINSA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300094050 1067655198 /nfs/dbraw/zinc/65/51/98/1067655198.db2.gz DDAACPQCIZUNBA-HYBUGGRVSA-N 1 0 459.660 4.198 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300097400 1067664055 /nfs/dbraw/zinc/66/40/55/1067664055.db2.gz BIVKRXJMCSWIQK-FGZHOGPDSA-N 1 0 457.619 4.219 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccn3C)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300099840 1067672931 /nfs/dbraw/zinc/67/29/31/1067672931.db2.gz MVOCYFSTXZFXJU-OAQYLSRUSA-N 1 0 496.725 4.435 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001300108588 1067705395 /nfs/dbraw/zinc/70/53/95/1067705395.db2.gz VBDKWFSEWUEINN-FCHUYYIVSA-N 1 0 469.674 4.054 20 0 JIADRO CSc1cccc(N2C[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)CC2=O)c1 ZINC001356254178 1067708018 /nfs/dbraw/zinc/70/80/18/1067708018.db2.gz LMOYTJNKGNFNRA-UGKGYDQZSA-N 1 0 451.636 4.452 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300113239 1067718013 /nfs/dbraw/zinc/71/80/13/1067718013.db2.gz HXRJTTOQXKSNGE-NHCUHLMSSA-N 1 0 457.688 4.278 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300114095 1067720534 /nfs/dbraw/zinc/72/05/34/1067720534.db2.gz POQVAOMWCPHUBG-OYRHEFFESA-N 1 0 471.715 4.382 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC001356352847 1067733205 /nfs/dbraw/zinc/73/32/05/1067733205.db2.gz PULVBVNDXOMOTF-RTBURBONSA-N 1 0 459.009 4.325 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300119458 1067733448 /nfs/dbraw/zinc/73/34/48/1067733448.db2.gz VDPYBHXNNXKOBP-FQEVSTJZSA-N 1 0 459.541 4.203 20 0 JIADRO O=C(Cc1ccccc1I)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001356378815 1067739348 /nfs/dbraw/zinc/73/93/48/1067739348.db2.gz WYTPEWDKNGBLKM-UHFFFAOYSA-N 1 0 452.361 4.021 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001300124949 1067749107 /nfs/dbraw/zinc/74/91/07/1067749107.db2.gz APGNRTQTGXQUNL-CCLHPLFOSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300126241 1067752630 /nfs/dbraw/zinc/75/26/30/1067752630.db2.gz QLGWVSOQGAPDDW-RPBOFIJWSA-N 1 0 469.674 4.054 20 0 JIADRO Cc1ccc(NC(=S)N2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Br)c1 ZINC001200148411 1067761533 /nfs/dbraw/zinc/76/15/33/1067761533.db2.gz LXSCYEHMRPDGML-UHFFFAOYSA-N 1 0 462.461 4.195 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001300128735 1067762040 /nfs/dbraw/zinc/76/20/40/1067762040.db2.gz UIVXDQMEIMLIIW-HSZRJFAPSA-N 1 0 457.688 4.136 20 0 JIADRO C[C@@H]1C[C@@H](CCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC001356501354 1067765365 /nfs/dbraw/zinc/76/53/65/1067765365.db2.gz JHJYNCMTNQPTGA-IEBWSBKVSA-N 1 0 458.628 4.198 20 0 JIADRO COc1ccc([C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000849055899 1067786562 /nfs/dbraw/zinc/78/65/62/1067786562.db2.gz KRBMGWVCDMZFLL-QVKFZJNVSA-N 1 0 451.398 4.250 20 0 JIADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)c2)CC1 ZINC001356605044 1067787896 /nfs/dbraw/zinc/78/78/96/1067787896.db2.gz UJRFMKNAOPFHKC-UHFFFAOYSA-N 1 0 451.592 4.409 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001356611022 1067789728 /nfs/dbraw/zinc/78/97/28/1067789728.db2.gz AWKHVDHHNPEXCJ-OAHLLOKOSA-N 1 0 452.382 4.471 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)C(=O)OCc2ccccc2)c1 ZINC001300147012 1067800907 /nfs/dbraw/zinc/80/09/07/1067800907.db2.gz VOWPJQMBBXALSI-VYCLJVNGSA-N 1 0 456.586 4.459 20 0 JIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)C[C@@H](C)O1 ZINC000481532412 1067802795 /nfs/dbraw/zinc/80/27/95/1067802795.db2.gz JLCNRIHVYIAYDS-HUUCEWRRSA-N 1 0 450.008 4.212 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC001352938523 1067811104 /nfs/dbraw/zinc/81/11/04/1067811104.db2.gz KFOCBJPNXWIXAP-IEBWSBKVSA-N 1 0 457.621 4.187 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCC2)cc1OC(F)F ZINC001300161998 1067817252 /nfs/dbraw/zinc/81/72/52/1067817252.db2.gz FBFJPSIFDLOLHO-UHFFFAOYSA-N 1 0 472.540 4.071 20 0 JIADRO COC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001300162960 1067818950 /nfs/dbraw/zinc/81/89/50/1067818950.db2.gz LQBRDWQGHPOJFQ-CALCHBBNSA-N 1 0 459.974 4.400 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC001300162938 1067818967 /nfs/dbraw/zinc/81/89/67/1067818967.db2.gz VPBMIKIWOQNBSE-IBGZPJMESA-N 1 0 485.032 4.465 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001300163478 1067820150 /nfs/dbraw/zinc/82/01/50/1067820150.db2.gz AZUXKCYXBFCZAB-FQEVSTJZSA-N 1 0 473.419 4.021 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC001300163982 1067821101 /nfs/dbraw/zinc/82/11/01/1067821101.db2.gz FOXNWDKFOPRXKR-OALUTQOASA-N 1 0 466.630 4.380 20 0 JIADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245395 1067823480 /nfs/dbraw/zinc/82/34/80/1067823480.db2.gz CKTDHASHFMXBRQ-XDHUDOTRSA-N 1 0 453.537 4.227 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC(C)(C)O ZINC001492585137 1067825271 /nfs/dbraw/zinc/82/52/71/1067825271.db2.gz YQMPPLPQKFLJCU-PKTZIBPZSA-N 1 0 453.675 4.429 20 0 JIADRO COc1cc[nH+]c(N2CCN(C(=O)C(C)(C)Sc3ccc(Br)cc3)CC2)c1 ZINC001352994028 1067828673 /nfs/dbraw/zinc/82/86/73/1067828673.db2.gz FKOMDXNBZGCFLK-UHFFFAOYSA-N 1 0 450.402 4.072 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOC[C@@H]1CCCO1 ZINC001492585517 1067828732 /nfs/dbraw/zinc/82/87/32/1067828732.db2.gz HUSFJBQLUXCCMW-DEOSSOPVSA-N 1 0 469.674 4.074 20 0 JIADRO Cc1oc(Br)cc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001357292412 1067830902 /nfs/dbraw/zinc/83/09/02/1067830902.db2.gz KXDQGCSZKPHAJZ-UHFFFAOYSA-N 1 0 455.356 4.320 20 0 JIADRO O=C(Cc1cccc(I)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001357304567 1067832385 /nfs/dbraw/zinc/83/23/85/1067832385.db2.gz OGADLUVIPAWRSL-UHFFFAOYSA-N 1 0 452.361 4.021 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCCCC2)cc1OC(F)F ZINC001300173622 1067833069 /nfs/dbraw/zinc/83/30/69/1067833069.db2.gz MCIPRUNUAVKWSL-FQEVSTJZSA-N 1 0 493.599 4.295 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCCC2)cc1F ZINC001300175752 1067834642 /nfs/dbraw/zinc/83/46/42/1067834642.db2.gz APOAWPAVRKKMIU-UHFFFAOYSA-N 1 0 466.605 4.313 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC001300176104 1067835498 /nfs/dbraw/zinc/83/54/98/1067835498.db2.gz HFTREZGULPXAHF-JOCHJYFZSA-N 1 0 480.632 4.416 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001300176487 1067836804 /nfs/dbraw/zinc/83/68/04/1067836804.db2.gz UZGOWSKLMJNFTP-JOCHJYFZSA-N 1 0 462.642 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCCC2)cc1F ZINC001300177607 1067838477 /nfs/dbraw/zinc/83/84/77/1067838477.db2.gz RWQWTEULDZGGAP-UHFFFAOYSA-N 1 0 472.634 4.294 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300178912 1067840373 /nfs/dbraw/zinc/84/03/73/1067840373.db2.gz IFWGYLWTYRXUMX-IATMXGELSA-N 1 0 471.646 4.294 20 0 JIADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000489280261 1067842618 /nfs/dbraw/zinc/84/26/18/1067842618.db2.gz XXMJVESYBQONSB-UHFFFAOYSA-N 1 0 450.674 4.275 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001300179936 1067842976 /nfs/dbraw/zinc/84/29/76/1067842976.db2.gz FQXJLQIXSIMHEJ-UHFFFAOYSA-N 1 0 479.673 4.358 20 0 JIADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC001357390885 1067842949 /nfs/dbraw/zinc/84/29/49/1067842949.db2.gz VAYHLTLEFXVWNO-XMMPIXPASA-N 1 0 451.636 4.486 20 0 JIADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001357410507 1067845392 /nfs/dbraw/zinc/84/53/92/1067845392.db2.gz YWRCGCIFINPTKM-HNNXBMFYSA-N 1 0 458.525 4.041 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)c4ccccc43)C2)CC1 ZINC001200214799 1067851221 /nfs/dbraw/zinc/85/12/21/1067851221.db2.gz MJSGSTIUYADFGD-QGZVFWFLSA-N 1 0 494.057 4.245 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001200221441 1067862543 /nfs/dbraw/zinc/86/25/43/1067862543.db2.gz HCSFHFWUQFIJQC-NFBKMPQASA-N 1 0 495.531 4.024 20 0 JIADRO Cc1cccc(Cl)c1CC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001357554202 1067869198 /nfs/dbraw/zinc/86/91/98/1067869198.db2.gz ZREFVXWWAWPQPY-UHFFFAOYSA-N 1 0 452.961 4.368 20 0 JIADRO COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)C)CC2)c(C(F)(F)F)c1 ZINC001300199192 1067869522 /nfs/dbraw/zinc/86/95/22/1067869522.db2.gz VVTLHRKTGFGMKD-UHFFFAOYSA-N 1 0 476.547 4.280 20 0 JIADRO O=C(CN1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1)Nc1ccccc1 ZINC001357582176 1067873952 /nfs/dbraw/zinc/87/39/52/1067873952.db2.gz JBOWRUDWGWVMCO-UHFFFAOYSA-N 1 0 456.320 4.305 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)s2)n1CCOCC[NH+](C)C ZINC001492558156 1067874975 /nfs/dbraw/zinc/87/49/75/1067874975.db2.gz LDMRYUXMWJPVIZ-UHFFFAOYSA-N 1 0 478.460 4.292 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2cscn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492558327 1067875620 /nfs/dbraw/zinc/87/56/20/1067875620.db2.gz QTYRNFSYXBDGMG-KDURUIRLSA-N 1 0 454.644 4.234 20 0 JIADRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001353158349 1067884594 /nfs/dbraw/zinc/88/45/94/1067884594.db2.gz PNJASQJCOMLVDP-IZZNHLLZSA-N 1 0 473.573 4.268 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492560089 1067888048 /nfs/dbraw/zinc/88/80/48/1067888048.db2.gz FSAXERIKAHIILW-GMAHTHKFSA-N 1 0 482.673 4.335 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300236026 1067927170 /nfs/dbraw/zinc/92/71/70/1067927170.db2.gz NJAABXINHWWLLD-UHFFFAOYSA-N 1 0 477.097 4.148 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(F)(F)c3c(F)cccc3F)cc2)C[C@@H]1C ZINC001357904740 1067936763 /nfs/dbraw/zinc/93/67/63/1067936763.db2.gz GSJQBUKNQRUTPM-IRXDYDNUSA-N 1 0 452.492 4.382 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3sccc3Br)cc2)C[C@H]1C ZINC001357908277 1067938523 /nfs/dbraw/zinc/93/85/23/1067938523.db2.gz ZUZPBERODAPAQE-HZPDHXFCSA-N 1 0 451.430 4.450 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300238572 1067941415 /nfs/dbraw/zinc/94/14/15/1067941415.db2.gz OHPMKFAQKLXPTH-HXUWFJFHSA-N 1 0 499.059 4.063 20 0 JIADRO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003605 1067980847 /nfs/dbraw/zinc/98/08/47/1067980847.db2.gz FZDJLHJYKHAWSE-PSVMIJIFSA-N 1 0 458.046 4.459 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001300248189 1067982991 /nfs/dbraw/zinc/98/29/91/1067982991.db2.gz APSWNNDNFYITBD-LJQANCHMSA-N 1 0 453.587 4.289 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001358042202 1068001616 /nfs/dbraw/zinc/00/16/16/1068001616.db2.gz LNUUWOKVKCETER-HXUWFJFHSA-N 1 0 459.472 4.012 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCc3ccccc3Br)cc2)C1 ZINC001358073211 1068011457 /nfs/dbraw/zinc/01/14/57/1068011457.db2.gz XDBKRLLLIWGPCA-LJQANCHMSA-N 1 0 458.400 4.108 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492562194 1068013809 /nfs/dbraw/zinc/01/38/09/1068013809.db2.gz HSGZJUWAINIEJI-FQEVSTJZSA-N 1 0 465.564 4.269 20 0 JIADRO COc1ccc(OC)c(CCCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC001300255130 1068013952 /nfs/dbraw/zinc/01/39/52/1068013952.db2.gz XCSLSERMUQGQCB-OAQYLSRUSA-N 1 0 499.700 4.206 20 0 JIADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001353312170 1068020854 /nfs/dbraw/zinc/02/08/54/1068020854.db2.gz APVZJFHJDIVJJR-OAHLLOKOSA-N 1 0 452.764 4.049 20 0 JIADRO C[NH+](C)CCc1ccc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 ZINC001358114142 1068022305 /nfs/dbraw/zinc/02/23/05/1068022305.db2.gz SGZWKJVUECMOMR-UHFFFAOYSA-N 1 0 453.384 4.480 20 0 JIADRO COCCc1ccc(Oc2ccc(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)cc2)cc1 ZINC001200305026 1068027948 /nfs/dbraw/zinc/02/79/48/1068027948.db2.gz YWBKCCNZUCDHBX-UHFFFAOYSA-N 1 0 454.615 4.205 20 0 JIADRO CC(=O)N[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328773 1068028871 /nfs/dbraw/zinc/02/88/71/1068028871.db2.gz QXAIHZUKGHQSHN-ZHRRBRCNSA-N 1 0 458.400 4.497 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC001358144025 1068029989 /nfs/dbraw/zinc/02/99/89/1068029989.db2.gz GDFWUSWDJBRFAC-BGYRXZFFSA-N 1 0 457.640 4.447 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccc(C)o3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300263710 1068030378 /nfs/dbraw/zinc/03/03/78/1068030378.db2.gz MXNZOGFUCANFJX-IBGZPJMESA-N 1 0 453.587 4.135 20 0 JIADRO Cc1ccc(CNC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001200308278 1068036519 /nfs/dbraw/zinc/03/65/19/1068036519.db2.gz CYKIFMZAKOZAHN-AHKZPQOWSA-N 1 0 464.679 4.015 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001358210119 1068044939 /nfs/dbraw/zinc/04/49/39/1068044939.db2.gz GOILRVGXIQLKMY-NFBKMPQASA-N 1 0 472.004 4.312 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300270254 1068048576 /nfs/dbraw/zinc/04/85/76/1068048576.db2.gz RZVHJTXNKUQUNJ-VXKWHMMOSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300271841 1068052937 /nfs/dbraw/zinc/05/29/37/1068052937.db2.gz MOWZVBRDNCLBIC-QFIPXVFZSA-N 1 0 497.587 4.002 20 0 JIADRO COc1ccc2cc(C(=O)Nc3cc(Br)ccc3N3CC[NH+](C)CC3)cnc2c1 ZINC001358268851 1068055771 /nfs/dbraw/zinc/05/57/71/1068055771.db2.gz NEORBMDJBCDGPR-UHFFFAOYSA-N 1 0 455.356 4.010 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2occc2C)cc1 ZINC001300280683 1068071666 /nfs/dbraw/zinc/07/16/66/1068071666.db2.gz HMLNVJYFSLXVSH-UHFFFAOYSA-N 1 0 467.614 4.372 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001492565150 1068075680 /nfs/dbraw/zinc/07/56/80/1068075680.db2.gz AIIIGKMETHXCMU-IFMALSPDSA-N 1 0 495.590 4.158 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492565606 1068081623 /nfs/dbraw/zinc/08/16/23/1068081623.db2.gz HCOKCKNLJZDJFR-IRLDBZIGSA-N 1 0 468.646 4.087 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001200332168 1068097335 /nfs/dbraw/zinc/09/73/35/1068097335.db2.gz BEMJQIDAKZOMCS-UHFFFAOYSA-N 1 0 459.656 4.358 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300297604 1068131860 /nfs/dbraw/zinc/13/18/60/1068131860.db2.gz MZILDKBJGMMRMH-PMACEKPBSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300297907 1068132308 /nfs/dbraw/zinc/13/23/08/1068132308.db2.gz QXZUBSFRAFWHMZ-UHFFFAOYSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300311054 1068189173 /nfs/dbraw/zinc/18/91/73/1068189173.db2.gz CDJZWGYPAIAMMA-OAQYLSRUSA-N 1 0 457.644 4.464 20 0 JIADRO COc1ccc(CNC(=S)N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001200360081 1068234473 /nfs/dbraw/zinc/23/44/73/1068234473.db2.gz NKJORQLDBAJOLG-UHFFFAOYSA-N 1 0 453.652 4.215 20 0 JIADRO CCCN(Cc1c(F)cccc1Cl)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC001353508683 1068238568 /nfs/dbraw/zinc/23/85/68/1068238568.db2.gz WFMFWADNHJKKNI-UHFFFAOYSA-N 1 0 455.965 4.409 20 0 JIADRO CN(c1ccc(-c2csc(NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1)S(C)(=O)=O ZINC000512937899 1068241294 /nfs/dbraw/zinc/24/12/94/1068241294.db2.gz UTZZPVJFZGZNPH-UHFFFAOYSA-N 1 0 456.637 4.282 20 0 JIADRO COc1ccc(-c2nc(NC(=O)CN3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)sc2C)cc1 ZINC001473548380 1068241580 /nfs/dbraw/zinc/24/15/80/1068241580.db2.gz WWNQXCDPSGTUCV-SFHVURJKSA-N 1 0 450.608 4.272 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332651 1068284692 /nfs/dbraw/zinc/28/46/92/1068284692.db2.gz MWTGRESRDBLFEH-FYYLOGMGSA-N 1 0 456.679 4.270 20 0 JIADRO CCCc1cc(=O)n2nc(NCc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)sc2n1 ZINC000613460114 1068288215 /nfs/dbraw/zinc/28/82/15/1068288215.db2.gz SVZWTGBWNDHYRU-UHFFFAOYSA-N 1 0 474.634 4.038 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000517898976 1068299970 /nfs/dbraw/zinc/29/99/70/1068299970.db2.gz ZVGWQBRJVZKKIA-UHFFFAOYSA-N 1 0 487.626 4.248 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cscn2)[NH+](C)C)c1 ZINC001300334406 1068300926 /nfs/dbraw/zinc/30/09/26/1068300926.db2.gz HIRODRICDAUILY-FQEVSTJZSA-N 1 0 484.029 4.398 20 0 JIADRO O=C(Nc1nnc(Cc2ccccc2F)s1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000518682239 1068309632 /nfs/dbraw/zinc/30/96/32/1068309632.db2.gz XHWRBBHFWINBLU-UHFFFAOYSA-N 1 0 453.587 4.440 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)CC2)no1 ZINC000518925301 1068312222 /nfs/dbraw/zinc/31/22/22/1068312222.db2.gz FHBPEFAYIKAYAB-UHFFFAOYSA-N 1 0 475.593 4.272 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339416 1068319222 /nfs/dbraw/zinc/31/92/22/1068319222.db2.gz HNVKOUABHPNVIH-GGAORHGYSA-N 1 0 498.716 4.309 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339440 1068319303 /nfs/dbraw/zinc/31/93/03/1068319303.db2.gz HZKWZVOFDJUNJK-XPNTWCBSSA-N 1 0 455.647 4.356 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc2s1 ZINC000503045620 1068321021 /nfs/dbraw/zinc/32/10/21/1068321021.db2.gz DNNBMVAGTQXPBZ-QGZVFWFLSA-N 1 0 485.679 4.352 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@@H](C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300340515 1068324020 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1068462151 /nfs/dbraw/zinc/46/21/51/1068462151.db2.gz PTWBFFFTTFYWFB-HXUWFJFHSA-N 1 0 481.645 4.432 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300379259 1068463609 /nfs/dbraw/zinc/46/36/09/1068463609.db2.gz AVBWOYWMDMBRDS-XUZZJYLKSA-N 1 0 485.673 4.239 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001300379248 1068463958 /nfs/dbraw/zinc/46/39/58/1068463958.db2.gz AJRJIWUURJNWKO-HXUWFJFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001300385451 1068482276 /nfs/dbraw/zinc/48/22/76/1068482276.db2.gz PUGJKZDNOWRAHF-IFMALSPDSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCCC[NH+]2CCCC2)c1 ZINC001300390581 1068506599 /nfs/dbraw/zinc/50/65/99/1068506599.db2.gz WTQZDTYHSQMCHM-HXUWFJFHSA-N 1 0 494.606 4.293 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300393737 1068519953 /nfs/dbraw/zinc/51/99/53/1068519953.db2.gz CNZQDKWBAIZILY-RBBKRZOGSA-N 1 0 497.644 4.014 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300394611 1068524880 /nfs/dbraw/zinc/52/48/80/1068524880.db2.gz GSHSUKZSOFIQGP-REWPJTCUSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300395716 1068532735 /nfs/dbraw/zinc/53/27/35/1068532735.db2.gz SKNXPAYJKZSVEG-NQIIRXRSSA-N 1 0 481.563 4.089 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300399110 1068548330 /nfs/dbraw/zinc/54/83/30/1068548330.db2.gz GBZKZLCVYWDOKX-XMMPIXPASA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001300399666 1068550997 /nfs/dbraw/zinc/55/09/97/1068550997.db2.gz IJYKWVALWMJPMG-IMSXRSKXSA-N 1 0 469.674 4.431 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(NC(=S)NCC[NH+]2CCCCC2)(c2ccccc2F)CC1 ZINC001200440771 1068559073 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NARLMVGLPBXXEG-UHFFFAOYSA-N 1 0 458.534 4.412 20 0 JIADRO COc1cccc(N2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001300442311 1068721708 /nfs/dbraw/zinc/72/17/08/1068721708.db2.gz FCFCWYFLYPYGME-UHFFFAOYSA-N 1 0 497.713 4.088 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc3cc(OC)ccc3nc2Cl)c1 ZINC001353886774 1068722782 /nfs/dbraw/zinc/72/27/82/1068722782.db2.gz YKOWPGLGEKOLHD-UHFFFAOYSA-N 1 0 454.958 4.221 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300447603 1068742221 /nfs/dbraw/zinc/74/22/21/1068742221.db2.gz WGRMVQOZLBIPNL-IBGZPJMESA-N 1 0 452.603 4.060 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)OC(C)C ZINC001300460599 1068793342 /nfs/dbraw/zinc/79/33/42/1068793342.db2.gz VSNFKOOWBPORRU-RUZDIDTESA-N 1 0 499.700 4.343 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccoc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300469238 1068809440 /nfs/dbraw/zinc/80/94/40/1068809440.db2.gz DBZSLRCNQISVFF-UHFFFAOYSA-N 1 0 453.587 4.073 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300470830 1068811773 /nfs/dbraw/zinc/81/17/73/1068811773.db2.gz OSZLXBLVSWIHGY-GGAORHGYSA-N 1 0 453.631 4.103 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300471184 1068812502 /nfs/dbraw/zinc/81/25/02/1068812502.db2.gz SUKZWTQEINLVFT-VXKWHMMOSA-N 1 0 455.647 4.471 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(NC(=S)NCc3cccc(OC)c3OC)cc2C(F)(F)F)CC1 ZINC001200521637 1068812942 /nfs/dbraw/zinc/81/29/42/1068812942.db2.gz IFWZWAXBTVREES-UHFFFAOYSA-N 1 0 496.599 4.347 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)F)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300475305 1068822996 /nfs/dbraw/zinc/82/29/96/1068822996.db2.gz SIPQEHRNSNMPAE-UHFFFAOYSA-N 1 0 456.541 4.357 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001492567054 1068830542 /nfs/dbraw/zinc/83/05/42/1068830542.db2.gz ZAAWNNRCVORQTI-SFHVURJKSA-N 1 0 451.537 4.286 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300478950 1068830827 /nfs/dbraw/zinc/83/08/27/1068830827.db2.gz NTYXOJNVSGUVCD-CNNODRBYSA-N 1 0 495.590 4.478 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001300480663 1068833860 /nfs/dbraw/zinc/83/38/60/1068833860.db2.gz AVBVLXMQIXJNKN-FQEVSTJZSA-N 1 0 453.631 4.105 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300480662 1068833902 /nfs/dbraw/zinc/83/39/02/1068833902.db2.gz ATPPXIPXSJORQG-OAQYLSRUSA-N 1 0 496.700 4.016 20 0 JIADRO COc1cc(NC(=S)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(OC)cc1Cl ZINC001200534560 1068843397 /nfs/dbraw/zinc/84/33/97/1068843397.db2.gz FFBOHHNUWDCMFV-GOSISDBHSA-N 1 0 491.057 4.205 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492568342 1068843760 /nfs/dbraw/zinc/84/37/60/1068843760.db2.gz NJSXWXHAFAGKLD-DEOSSOPVSA-N 1 0 480.701 4.459 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300485519 1068844653 /nfs/dbraw/zinc/84/46/53/1068844653.db2.gz YQOIIQFJPIWWPV-NDIWIEOSSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300491681 1068857000 /nfs/dbraw/zinc/85/70/00/1068857000.db2.gz NZXVBUFLXPFPRE-REWPJTCUSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300494156 1068861961 /nfs/dbraw/zinc/86/19/61/1068861961.db2.gz LGMXFNMISDTSJL-GOSISDBHSA-N 1 0 477.600 4.325 20 0 JIADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001200543811 1068862434 /nfs/dbraw/zinc/86/24/34/1068862434.db2.gz WEBKCISBIAZXRB-QHCPKHFHSA-N 1 0 454.640 4.184 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300494648 1068862757 /nfs/dbraw/zinc/86/27/57/1068862757.db2.gz SHMOOPDVJOLJAF-PMACEKPBSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300494692 1068862824 /nfs/dbraw/zinc/86/28/24/1068862824.db2.gz TVRZZOWFWSAEBY-NRFANRHFSA-N 1 0 455.647 4.061 20 0 JIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3Br)cc21 ZINC001354046224 1068864468 /nfs/dbraw/zinc/86/44/68/1068864468.db2.gz REOXYWQZCSTVBU-UHFFFAOYSA-N 1 0 452.356 4.403 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300498467 1068866817 /nfs/dbraw/zinc/86/68/17/1068866817.db2.gz NWUJDUFBEMFWPE-PKTZIBPZSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001300507249 1068881411 /nfs/dbraw/zinc/88/14/11/1068881411.db2.gz KKWHAWNMFVFOHE-REWPJTCUSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001300510275 1068886700 /nfs/dbraw/zinc/88/67/00/1068886700.db2.gz LHUQXRQASMYIAP-UHFFFAOYSA-N 1 0 498.075 4.448 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300517789 1068903487 /nfs/dbraw/zinc/90/34/87/1068903487.db2.gz NNPLDSKAKPIOFN-PKOBYXMFSA-N 1 0 481.544 4.086 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001354113522 1068905138 /nfs/dbraw/zinc/90/51/38/1068905138.db2.gz YRXUIFGSWDXNIS-UHFFFAOYSA-N 1 0 467.791 4.271 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300519231 1068905759 /nfs/dbraw/zinc/90/57/59/1068905759.db2.gz AJIGXQNYGNGFOJ-NJYVYQBISA-N 1 0 498.672 4.178 20 0 JIADRO C[C@H]1C[C@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@@H+]1C ZINC001354119005 1068909311 /nfs/dbraw/zinc/90/93/11/1068909311.db2.gz XLKXGEWWQNEUOR-DOTOQJQBSA-N 1 0 456.637 4.238 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147159 1068930956 /nfs/dbraw/zinc/93/09/56/1068930956.db2.gz HVNQEGDARBJKNK-ISKFKSNPSA-N 1 0 451.586 4.049 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300533590 1068949633 /nfs/dbraw/zinc/94/96/33/1068949633.db2.gz YOKJPSUVMVVSDX-JXHRLWIKSA-N 1 0 453.587 4.102 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Cl)s2)n1CC1([NH+](C)C)CCOCC1 ZINC001300536581 1068956907 /nfs/dbraw/zinc/95/69/07/1068956907.db2.gz QUEGPXXNKZOTNA-UHFFFAOYSA-N 1 0 490.073 4.340 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300539389 1068965994 /nfs/dbraw/zinc/96/59/94/1068965994.db2.gz DQTLHCNMQJDCDJ-DENIHFKCSA-N 1 0 469.655 4.105 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492569267 1068968265 /nfs/dbraw/zinc/96/82/65/1068968265.db2.gz RAILRRIXBIQWOV-KDYSTLNUSA-N 1 0 466.674 4.069 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300542040 1068975472 /nfs/dbraw/zinc/97/54/72/1068975472.db2.gz LVEJPWWQFQWTAD-ZBLYBZFDSA-N 1 0 469.674 4.251 20 0 JIADRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC001474625557 1068975494 /nfs/dbraw/zinc/97/54/94/1068975494.db2.gz NGVBJYPRDFLNGL-RHSMWYFYSA-N 1 0 456.306 4.307 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001492568711 1068977935 /nfs/dbraw/zinc/97/79/35/1068977935.db2.gz XAYZQWWGVJTFKM-ICSRJNTNSA-N 1 0 476.547 4.222 20 0 JIADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(Br)c1OC ZINC001354209745 1068979838 /nfs/dbraw/zinc/97/98/38/1068979838.db2.gz KLAYEPVSAVQCKA-UGSOOPFHSA-N 1 0 453.402 4.341 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001492585901 1068998886 /nfs/dbraw/zinc/99/88/86/1068998886.db2.gz QOWRUSQQLTZTOR-UHFFFAOYSA-N 1 0 484.689 4.403 20 0 JIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC001354226170 1069001276 /nfs/dbraw/zinc/00/12/76/1069001276.db2.gz DJFLHDQNSVROBN-JOCHJYFZSA-N 1 0 455.624 4.020 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001492586605 1069004465 /nfs/dbraw/zinc/00/44/65/1069004465.db2.gz NLBKZWOZUBTJIN-UHFFFAOYSA-N 1 0 482.673 4.110 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300553579 1069006242 /nfs/dbraw/zinc/00/62/42/1069006242.db2.gz UUSJEEVDUWCNSZ-NOZRDPDXSA-N 1 0 469.674 4.249 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001492572030 1069024603 /nfs/dbraw/zinc/02/46/03/1069024603.db2.gz QJZVCKCKMNXKAX-OAQYLSRUSA-N 1 0 468.646 4.233 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001492572358 1069027898 /nfs/dbraw/zinc/02/78/98/1069027898.db2.gz AMVNMUQXTGHZFR-AJFLCOCNSA-N 1 0 466.674 4.229 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492571490 1069035931 /nfs/dbraw/zinc/03/59/31/1069035931.db2.gz AAZDKQNWBOZWKV-GMAHTHKFSA-N 1 0 482.673 4.477 20 0 JIADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)ccc1F ZINC001200614244 1069044600 /nfs/dbraw/zinc/04/46/00/1069044600.db2.gz JBDDXWDQIAEGHZ-VWNXMTODSA-N 1 0 454.567 4.171 20 0 JIADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482764 1069051160 /nfs/dbraw/zinc/05/11/60/1069051160.db2.gz SISZWNMICBCCGY-PMACEKPBSA-N 1 0 494.467 4.418 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482605 1069051823 /nfs/dbraw/zinc/05/18/23/1069051823.db2.gz RWYAJEVUZJTIKJ-NSOVKSMOSA-N 1 0 485.676 4.168 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849485655 1069052855 /nfs/dbraw/zinc/05/28/55/1069052855.db2.gz YBLXYGTYDYWXAD-MSOLQXFVSA-N 1 0 499.965 4.003 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486815 1069052868 /nfs/dbraw/zinc/05/28/68/1069052868.db2.gz BIXSOTCQUQQFEV-DHIUTWEWSA-N 1 0 483.410 4.436 20 0 JIADRO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849486655 1069053955 /nfs/dbraw/zinc/05/39/55/1069053955.db2.gz LLTSPUBMJGXXJG-DHIUTWEWSA-N 1 0 482.650 4.153 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccc(OC)cc2)cc1 ZINC000849487949 1069054634 /nfs/dbraw/zinc/05/46/34/1069054634.db2.gz QHHGETSSVNDYAN-KCHLEUMXSA-N 1 0 490.648 4.351 20 0 JIADRO CC(=O)c1sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489876 1069056354 /nfs/dbraw/zinc/05/63/54/1069056354.db2.gz SYPNQPATTWENDN-WOJBJXKFSA-N 1 0 451.596 4.199 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566483 1069057969 /nfs/dbraw/zinc/05/79/69/1069057969.db2.gz BZVSGTDAZOVACN-IFMALSPDSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1c(C)coc1C ZINC001300566646 1069058088 /nfs/dbraw/zinc/05/80/88/1069058088.db2.gz DPUMMHHIKIRPOD-UHFFFAOYSA-N 1 0 451.615 4.446 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493471 1069062773 /nfs/dbraw/zinc/06/27/73/1069062773.db2.gz KFCAIBRYQCGJBL-OALUTQOASA-N 1 0 474.631 4.156 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c(F)c1 ZINC000849492475 1069062809 /nfs/dbraw/zinc/06/28/09/1069062809.db2.gz XDEHCTMINXAMIP-UYAOXDASSA-N 1 0 484.601 4.094 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c(F)c1 ZINC000849492472 1069062841 /nfs/dbraw/zinc/06/28/41/1069062841.db2.gz XDEHCTMINXAMIP-AZUAARDMSA-N 1 0 484.601 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849493737 1069064742 /nfs/dbraw/zinc/06/47/42/1069064742.db2.gz YYORAQQDLFUABA-LEWJYISDSA-N 1 0 451.596 4.187 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495476 1069066901 /nfs/dbraw/zinc/06/69/01/1069066901.db2.gz CRNDODJRWBHGMM-WWPVKYPJSA-N 1 0 456.631 4.155 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496757 1069068563 /nfs/dbraw/zinc/06/85/63/1069068563.db2.gz BRWUQWUIIXVECL-KAYWLYCHSA-N 1 0 460.622 4.267 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501098 1069073017 /nfs/dbraw/zinc/07/30/17/1069073017.db2.gz SKWVUSXLCFVYKK-RRPNLBNLSA-N 1 0 460.622 4.267 20 0 JIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849502140 1069074708 /nfs/dbraw/zinc/07/47/08/1069074708.db2.gz PCHMYRKQIAZVQY-RPWUZVMVSA-N 1 0 459.594 4.433 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503144 1069076755 /nfs/dbraw/zinc/07/67/55/1069076755.db2.gz GQOSGFJQGBDOPO-NHCUHLMSSA-N 1 0 455.603 4.368 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001300571392 1069079378 /nfs/dbraw/zinc/07/93/78/1069079378.db2.gz ARFSZURHOUTFBP-UHFFFAOYSA-N 1 0 468.671 4.210 20 0 JIADRO Cc1ccccc1[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001492574754 1069083862 /nfs/dbraw/zinc/08/38/62/1069083862.db2.gz ZGLPADFFIZQENZ-ISKFKSNPSA-N 1 0 469.674 4.254 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504689 1069084271 /nfs/dbraw/zinc/08/42/71/1069084271.db2.gz PPXZJMWUTHVEIM-RPWUZVMVSA-N 1 0 463.557 4.264 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CSCCS1 ZINC001300572950 1069086201 /nfs/dbraw/zinc/08/62/01/1069086201.db2.gz CISGKHXSKGFKIP-NRFANRHFSA-N 1 0 489.755 4.284 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507416 1069087910 /nfs/dbraw/zinc/08/79/10/1069087910.db2.gz ZGPOMRSSFTWRTM-PKTZIBPZSA-N 1 0 462.560 4.346 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507909 1069089844 /nfs/dbraw/zinc/08/98/44/1069089844.db2.gz RSAMHBCGZQCDED-BJKOFHAPSA-N 1 0 452.549 4.418 20 0 JIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509420 1069090730 /nfs/dbraw/zinc/09/07/30/1069090730.db2.gz YIDOAKQNGIFOMO-VXKWHMMOSA-N 1 0 461.448 4.434 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508632 1069090781 /nfs/dbraw/zinc/09/07/81/1069090781.db2.gz AHPGOSVECDCTTK-FPOVZHCZSA-N 1 0 485.510 4.365 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511127 1069094867 /nfs/dbraw/zinc/09/48/67/1069094867.db2.gz NYRBPGSVZKRBSM-SFTDATJTSA-N 1 0 472.420 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849513298 1069096566 /nfs/dbraw/zinc/09/65/66/1069096566.db2.gz BCUYBCVIQUZPEQ-FCHUYYIVSA-N 1 0 467.614 4.170 20 0 JIADRO COCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000849512973 1069097298 /nfs/dbraw/zinc/09/72/98/1069097298.db2.gz OEYUYJSMPJODLH-SXSPYAJSSA-N 1 0 480.575 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ZINC000849558718 1069206800 /nfs/dbraw/zinc/20/68/00/1069206800.db2.gz PPOPEFISKJXCKK-TZIWHRDSSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849560513 1069209769 /nfs/dbraw/zinc/20/97/69/1069209769.db2.gz BEYSFKAEQFQCNL-HSALFYBXSA-N 1 0 465.425 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849564788 1069214132 /nfs/dbraw/zinc/21/41/32/1069214132.db2.gz RCFHIJKDMZJVFI-RBUKOAKNSA-N 1 0 461.448 4.091 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2I)[C@H](c2cnn(C)c2)C1 ZINC000849565470 1069214614 /nfs/dbraw/zinc/21/46/14/1069214614.db2.gz WEMYVNDTMSLHDJ-HOTGVXAUSA-N 1 0 486.785 4.131 20 0 JIADRO COc1ccccc1CSc1ccccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849565956 1069217337 /nfs/dbraw/zinc/21/73/37/1069217337.db2.gz XQFULCKSKZXYRU-LEWJYISDSA-N 1 0 450.608 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 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CC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1cc(F)cc(Br)c1 ZINC000849576973 1069229228 /nfs/dbraw/zinc/22/92/28/1069229228.db2.gz LKMFFSDJZNHTCW-HBMCJLEFSA-N 1 0 465.411 4.403 20 0 JIADRO COc1ccccc1N1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001300615795 1069229663 /nfs/dbraw/zinc/22/96/63/1069229663.db2.gz YICLNFPLKPUBCO-OAQYLSRUSA-N 1 0 468.690 4.322 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300615739 1069229713 /nfs/dbraw/zinc/22/97/13/1069229713.db2.gz XIKOHMFHHFJLNH-PSWAGMNNSA-N 1 0 482.717 4.175 20 0 JIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849577740 1069230073 /nfs/dbraw/zinc/23/00/73/1069230073.db2.gz SKIVLSVHIIKOHB-SXOMAYOGSA-N 1 0 460.622 4.473 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579205 1069230790 /nfs/dbraw/zinc/23/07/90/1069230790.db2.gz WCPVGVYKJJMBKR-YADHBBJMSA-N 1 0 485.032 4.078 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579201 1069230911 /nfs/dbraw/zinc/23/09/11/1069230911.db2.gz WCPVGVYKJJMBKR-FCHUYYIVSA-N 1 0 485.032 4.078 20 0 JIADRO CC(C)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578895 1069230983 /nfs/dbraw/zinc/23/09/83/1069230983.db2.gz YFNPUELZSQXPJN-MHOPESGUSA-N 1 0 490.067 4.367 20 0 JIADRO CC(C)C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586219 1069235911 /nfs/dbraw/zinc/23/59/11/1069235911.db2.gz OJDWOHFVRQKSCR-XJUOHMSHSA-N 1 0 461.448 4.296 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cn1 ZINC000849586213 1069235977 /nfs/dbraw/zinc/23/59/77/1069235977.db2.gz OJADRBQFDFAVGL-LEWJYISDSA-N 1 0 462.985 4.146 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000849588413 1069239930 /nfs/dbraw/zinc/23/99/30/1069239930.db2.gz XIKKZCRDVUEDGV-SFTDATJTSA-N 1 0 492.649 4.189 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300619871 1069240072 /nfs/dbraw/zinc/24/00/72/1069240072.db2.gz CEIDYQJBOSKBCO-OAQYLSRUSA-N 1 0 493.656 4.017 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849588671 1069240564 /nfs/dbraw/zinc/24/05/64/1069240564.db2.gz MXMWVPHHYYMNSO-DOTOQJQBSA-N 1 0 462.982 4.184 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590440 1069240902 /nfs/dbraw/zinc/24/09/02/1069240902.db2.gz ZCFTXGRWISARAF-QZTJIDSGSA-N 1 0 461.994 4.242 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC001492576313 1069242084 /nfs/dbraw/zinc/24/20/84/1069242084.db2.gz OAPMTAAJYIMHCT-NFQMXDRXSA-N 1 0 463.674 4.366 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590864 1069243169 /nfs/dbraw/zinc/24/31/69/1069243169.db2.gz ANBWYZHTCCPCNM-NIKGAXFTSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849592228 1069243502 /nfs/dbraw/zinc/24/35/02/1069243502.db2.gz NVCUPKGLWVHHER-KMDXXIMOSA-N 1 0 459.034 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849592223 1069243565 /nfs/dbraw/zinc/24/35/65/1069243565.db2.gz NSRJLKYCNLGCCP-MSOLQXFVSA-N 1 0 494.543 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849592201 1069243803 /nfs/dbraw/zinc/24/38/03/1069243803.db2.gz KERUOGCBQGFBGI-CABCVRRESA-N 1 0 457.775 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849591681 1069244918 /nfs/dbraw/zinc/24/49/18/1069244918.db2.gz KIVLMEDDUYEXGL-VXKWHMMOSA-N 1 0 499.631 4.305 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC000849594489 1069245768 /nfs/dbraw/zinc/24/57/68/1069245768.db2.gz UPWMVKRAQRDGGG-MSOLQXFVSA-N 1 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/nfs/dbraw/zinc/25/58/16/1069255816.db2.gz LSKRCFDQYYGXOC-DHIUTWEWSA-N 1 0 469.630 4.240 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598968 1069255998 /nfs/dbraw/zinc/25/59/98/1069255998.db2.gz JHKXTUGVUHIHAQ-MOPGFXCFSA-N 1 0 459.432 4.194 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001200678355 1069256665 /nfs/dbraw/zinc/25/66/65/1069256665.db2.gz LBQIABFTLYFZQT-JOCHJYFZSA-N 1 0 450.649 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849601302 1069257694 /nfs/dbraw/zinc/25/76/94/1069257694.db2.gz JGJJYDIUVWPXAK-RRPNLBNLSA-N 1 0 456.634 4.257 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849600756 1069257722 /nfs/dbraw/zinc/25/77/22/1069257722.db2.gz GDBBUUVNIFZGCV-QZTJIDSGSA-N 1 0 460.504 4.077 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602358 1069257948 /nfs/dbraw/zinc/25/79/48/1069257948.db2.gz MSAPIYHFWDNVDX-SFTDATJTSA-N 1 0 460.607 4.067 20 0 JIADRO CCCCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849607869 1069265162 /nfs/dbraw/zinc/26/51/62/1069265162.db2.gz ZKIYQBQUNMSSHU-SFTDATJTSA-N 1 0 453.612 4.397 20 0 JIADRO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849608985 1069266990 /nfs/dbraw/zinc/26/69/90/1069266990.db2.gz RIPBTJXYRGTZBS-VCOUNFBDSA-N 1 0 459.034 4.432 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611276 1069268574 /nfs/dbraw/zinc/26/85/74/1069268574.db2.gz VXXLOHLBTHVZOK-QWHCGFSZSA-N 1 0 466.430 4.042 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cn1 ZINC000849611746 1069273148 /nfs/dbraw/zinc/27/31/48/1069273148.db2.gz ABAXQSWOWHSXAD-UKRRQHHQSA-N 1 0 462.779 4.058 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492591707 1069307021 /nfs/dbraw/zinc/30/70/21/1069307021.db2.gz LWMHSTFPYQARPC-YIXXDRMTSA-N 1 0 469.674 4.384 20 0 JIADRO COC(=O)[C@@]1(C)CCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164392137 718805134 /nfs/dbraw/zinc/80/51/34/718805134.db2.gz YPQYHBAKQXPBIY-XMMPIXPASA-N 1 0 455.986 4.288 20 0 JIADRO c1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1-c1ccccc1 ZINC001164408937 718864012 /nfs/dbraw/zinc/86/40/12/718864012.db2.gz OAEIZGSMILAMLH-RBBKRZOGSA-N 1 0 463.651 4.159 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C=Cc4ccccc43)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164421473 718909428 /nfs/dbraw/zinc/90/94/28/718909428.db2.gz QXPOTFGGXBXEBI-OAQYLSRUSA-N 1 0 474.649 4.445 20 0 JIADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1C ZINC001164420203 718912131 /nfs/dbraw/zinc/91/21/31/718912131.db2.gz HIOFQEHYEFIGLY-UHFFFAOYSA-N 1 0 471.671 4.275 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423349 718939941 /nfs/dbraw/zinc/93/99/41/718939941.db2.gz IDPYHITVRICTEZ-VQTJNVASSA-N 1 0 470.907 4.108 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164618870 719008309 /nfs/dbraw/zinc/00/83/09/719008309.db2.gz UGYDJMKZZUYQAU-HYBUGGRVSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164618869 719008327 /nfs/dbraw/zinc/00/83/27/719008327.db2.gz UGYDJMKZZUYQAU-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164617436 719008818 /nfs/dbraw/zinc/00/88/18/719008818.db2.gz ODZOSJLVICYTCV-JTSKRJEESA-N 1 0 482.934 4.117 20 0 JIADRO Clc1nc2c(c(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164628737 719044732 /nfs/dbraw/zinc/04/47/32/719044732.db2.gz ZQISSKAJSCZABQ-HOFKKMOUSA-N 1 0 460.025 4.272 20 0 JIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccc(Cl)cc3)C[C@H]2CF)CC1 ZINC001164624624 719119488 /nfs/dbraw/zinc/11/94/88/719119488.db2.gz VABMRVLXMVWJBO-CZUORRHYSA-N 1 0 489.325 4.199 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164662131 719344791 /nfs/dbraw/zinc/34/47/91/719344791.db2.gz NQAQGASNVILNHO-UHFFFAOYSA-N 1 0 457.626 4.080 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164684764 719624935 /nfs/dbraw/zinc/62/49/35/719624935.db2.gz XKHFRAHEIRJMNT-UHFFFAOYSA-N 1 0 455.340 4.217 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccs3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680540 719641256 /nfs/dbraw/zinc/64/12/56/719641256.db2.gz VDTVIDOHIIIZJT-UHFFFAOYSA-N 1 0 452.962 4.139 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164682663 719653051 /nfs/dbraw/zinc/65/30/51/719653051.db2.gz SRHXAPQLDGTJCZ-SFHVURJKSA-N 1 0 476.999 4.373 20 0 JIADRO Cc1csc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685264 719656335 /nfs/dbraw/zinc/65/63/35/719656335.db2.gz YQXIXGYEUADDER-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)c4ccccc43)CC2)c2ccccc21 ZINC001164685342 719659752 /nfs/dbraw/zinc/65/97/52/719659752.db2.gz ZGJFGRGYWUCWFI-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(Oc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680985 719662740 /nfs/dbraw/zinc/66/27/40/719662740.db2.gz KQIJCGLPGBNKBE-JOCHJYFZSA-N 1 0 485.632 4.362 20 0 JIADRO Cc1nc2cc(F)ccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680697 719662951 /nfs/dbraw/zinc/66/29/51/719662951.db2.gz HWHSSBFGEVXIDA-FQEVSTJZSA-N 1 0 475.612 4.171 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)c4ccccc43)CC2)c2ccccc21 ZINC001164680895 719670326 /nfs/dbraw/zinc/67/03/26/719670326.db2.gz IOHVBROEOXWCAJ-FQEVSTJZSA-N 1 0 460.597 4.467 20 0 JIADRO Cc1cc(Cl)c(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681916 719670892 /nfs/dbraw/zinc/67/08/92/719670892.db2.gz OHIZWJYLKUJLKP-FQEVSTJZSA-N 1 0 455.046 4.445 20 0 JIADRO COc1ccccc1-c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686111 719678683 /nfs/dbraw/zinc/67/86/83/719678683.db2.gz WONBKNFDHZVJCK-QFIPXVFZSA-N 1 0 499.659 4.246 20 0 JIADRO CCSc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164687181 719681227 /nfs/dbraw/zinc/68/12/27/719681227.db2.gz QNHISOPWUGBRLO-FQEVSTJZSA-N 1 0 452.668 4.287 20 0 JIADRO CCCSc1ncnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1OC ZINC001164684143 719683481 /nfs/dbraw/zinc/68/34/81/719683481.db2.gz HEXYZBANZAFRFQ-HXUWFJFHSA-N 1 0 497.709 4.081 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693403 719761474 /nfs/dbraw/zinc/76/14/74/719761474.db2.gz ZDXFRFCGYLXDII-AVRWGWEMSA-N 1 0 482.629 4.097 20 0 JIADRO COC(=O)c1cc2c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)[nH]c(Cl)cc-2n1 ZINC001164691550 719811779 /nfs/dbraw/zinc/81/17/79/719811779.db2.gz GXALZLQNDRZXTQ-UHFFFAOYSA-N 1 0 460.003 4.403 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(NC(=O)c4ccccc4)n2)CC3)cs1 ZINC001164692268 719816069 /nfs/dbraw/zinc/81/60/69/719816069.db2.gz PCIKAPHMMSQGBX-UHFFFAOYSA-N 1 0 462.623 4.437 20 0 JIADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695062 719887231 /nfs/dbraw/zinc/88/72/31/719887231.db2.gz JZKPMMVVRNXCGG-UHFFFAOYSA-N 1 0 461.003 4.330 20 0 JIADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696212 719897196 /nfs/dbraw/zinc/89/71/96/719897196.db2.gz CFFCEXRCXMSVFR-UHFFFAOYSA-N 1 0 463.381 4.347 20 0 JIADRO Clc1nc2c(Cl)nccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698396 719897869 /nfs/dbraw/zinc/89/78/69/719897869.db2.gz SGHCOUNCDUMMIF-UHFFFAOYSA-N 1 0 450.395 4.265 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)c(OC)c1OC ZINC001164707344 719905289 /nfs/dbraw/zinc/90/52/89/719905289.db2.gz QABCMYJWUJLXDP-UHFFFAOYSA-N 1 0 496.633 4.102 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164709696 720099461 /nfs/dbraw/zinc/09/94/61/720099461.db2.gz CKRYFKINBDKZSC-IBGZPJMESA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164713077 720129728 /nfs/dbraw/zinc/12/97/28/720129728.db2.gz QFNDBVASKQJQAG-JOCHJYFZSA-N 1 0 463.557 4.311 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815869 720139774 /nfs/dbraw/zinc/13/97/74/720139774.db2.gz WPQFIJBADIYDNI-BXKMTCNYSA-N 1 0 493.048 4.050 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164711090 720141320 /nfs/dbraw/zinc/14/13/20/720141320.db2.gz FIQKIONMAMFBSI-HSZRJFAPSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164712054 720152010 /nfs/dbraw/zinc/15/20/10/720152010.db2.gz KHRJDDWIFDVZME-VWLOTQADSA-N 1 0 473.621 4.267 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164711765 720154602 /nfs/dbraw/zinc/15/46/02/720154602.db2.gz JXUBLRIHZQEMHH-OAQYLSRUSA-N 1 0 450.558 4.285 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819158 720168322 /nfs/dbraw/zinc/16/83/22/720168322.db2.gz WGSAFQHJMQKUQF-UFHPHHKVSA-N 1 0 459.638 4.281 20 0 JIADRO Cc1sc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1-c1ccccc1 ZINC001164715796 720197364 /nfs/dbraw/zinc/19/73/64/720197364.db2.gz NFOTUXYPRIXALN-OAQYLSRUSA-N 1 0 489.649 4.011 20 0 JIADRO Cc1nc2scc(-c3cccs3)c2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164717708 720197374 /nfs/dbraw/zinc/19/73/74/720197374.db2.gz WJEFLFOGACHIIW-LJQANCHMSA-N 1 0 495.678 4.073 20 0 JIADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718150 720200864 /nfs/dbraw/zinc/20/08/64/720200864.db2.gz XRYBYPARONNLDI-MHZLTWQESA-N 1 0 495.631 4.155 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CCC2 ZINC001164813872 720239214 /nfs/dbraw/zinc/23/92/14/720239214.db2.gz QRHVYZJAKRXPIS-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164832513 720322414 /nfs/dbraw/zinc/32/24/14/720322414.db2.gz UGOUPGOFJAPJKE-QZTJIDSGSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164832511 720322477 /nfs/dbraw/zinc/32/24/77/720322477.db2.gz UGOUPGOFJAPJKE-MSOLQXFVSA-N 1 0 498.405 4.393 20 0 JIADRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164828370 720350107 /nfs/dbraw/zinc/35/01/07/720350107.db2.gz ONEHYNJFLDDTTK-DQEYMECFSA-N 1 0 482.072 4.249 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001164821772 720355845 /nfs/dbraw/zinc/35/58/45/720355845.db2.gz BWACNPGCDURORL-VQTJNVASSA-N 1 0 452.977 4.069 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001164830798 720355953 /nfs/dbraw/zinc/35/59/53/720355953.db2.gz XLNIRMWFBMUPCB-PMACEKPBSA-N 1 0 478.971 4.451 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001164830806 720356046 /nfs/dbraw/zinc/35/60/46/720356046.db2.gz XLNIRMWFBMUPCB-WOJBJXKFSA-N 1 0 478.971 4.451 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732913 720439557 /nfs/dbraw/zinc/43/95/57/720439557.db2.gz OUUHVCHTBGTWJO-LEWJYISDSA-N 1 0 450.656 4.398 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725717 720496687 /nfs/dbraw/zinc/49/66/87/720496687.db2.gz JWQVEDKHJVZWKQ-MAFNXUKGSA-N 1 0 468.617 4.492 20 0 JIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164734014 720546538 /nfs/dbraw/zinc/54/65/38/720546538.db2.gz FWZOAOQSYGSEEM-MRXNPFEDSA-N 1 0 451.949 4.253 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839691 720564393 /nfs/dbraw/zinc/56/43/93/720564393.db2.gz RKHQQPQWSTZRAV-SLYNCCJLSA-N 1 0 460.960 4.402 20 0 JIADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164737033 720578635 /nfs/dbraw/zinc/57/86/35/720578635.db2.gz ZNMNGSKFZMFENA-UHFFFAOYSA-N 1 0 450.748 4.442 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836721 720581535 /nfs/dbraw/zinc/58/15/35/720581535.db2.gz GPIYRUCKXLSWTF-AKIFATBCSA-N 1 0 451.018 4.295 20 0 JIADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736685 720584070 /nfs/dbraw/zinc/58/40/70/720584070.db2.gz QVMGZVYUAAFNGT-UHFFFAOYSA-N 1 0 464.973 4.258 20 0 JIADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737583 720659478 /nfs/dbraw/zinc/65/94/78/720659478.db2.gz GKOKGYKFBPASPI-UXHICEINSA-N 1 0 476.943 4.221 20 0 JIADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842578 720670379 /nfs/dbraw/zinc/67/03/79/720670379.db2.gz SAJOKENRXNISEB-SFHVURJKSA-N 1 0 465.976 4.001 20 0 JIADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737632 720691251 /nfs/dbraw/zinc/69/12/51/720691251.db2.gz GSPDQQWVWLVSPL-VQTJNVASSA-N 1 0 458.953 4.082 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164843394 720696144 /nfs/dbraw/zinc/69/61/44/720696144.db2.gz PJYJLZMFZISOJI-JOCHJYFZSA-N 1 0 471.045 4.477 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164837670 720713868 /nfs/dbraw/zinc/71/38/68/720713868.db2.gz GCPRMLACCFUQTP-SFHVURJKSA-N 1 0 462.972 4.424 20 0 JIADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744285 720719650 /nfs/dbraw/zinc/71/96/50/720719650.db2.gz ZBJSZYOQGAOLQF-UXHICEINSA-N 1 0 458.953 4.082 20 0 JIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164837659 720723134 /nfs/dbraw/zinc/72/31/34/720723134.db2.gz FYBOJLSVPJVYFT-DEOSSOPVSA-N 1 0 471.605 4.297 20 0 JIADRO COc1ccc2c(c1)nc(N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164743941 720762887 /nfs/dbraw/zinc/76/28/87/720762887.db2.gz QPYMNEAFWMDATQ-RBBKRZOGSA-N 1 0 453.546 4.042 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849576 720781760 /nfs/dbraw/zinc/78/17/60/720781760.db2.gz UGXYTLMNWVMCQQ-PMVMPFDFSA-N 1 0 490.982 4.395 20 0 JIADRO c1sc2nc(C3CC3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164738514 720784563 /nfs/dbraw/zinc/78/45/63/720784563.db2.gz FVYBXNCJJZSWBG-VQTJNVASSA-N 1 0 470.602 4.368 20 0 JIADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164744243 720795563 /nfs/dbraw/zinc/79/55/63/720795563.db2.gz IFNUWPYYUZCMPH-URXFXBBRSA-N 1 0 466.545 4.068 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744607 720826788 /nfs/dbraw/zinc/82/67/88/720826788.db2.gz VMRWFYVIYRRZPG-PPJWLVRDSA-N 1 0 465.605 4.268 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]2C1 ZINC001164852332 720844514 /nfs/dbraw/zinc/84/45/14/720844514.db2.gz KBSCTUAPRPVITE-TZIWHRDSSA-N 1 0 451.945 4.120 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746615 720848218 /nfs/dbraw/zinc/84/82/18/720848218.db2.gz POZMXKDVUSHHJY-SXWKCWPCSA-N 1 0 499.997 4.313 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752038 720852930 /nfs/dbraw/zinc/85/29/30/720852930.db2.gz SSMGAKOOHGZFHB-PQNGQFLHSA-N 1 0 478.044 4.385 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC[C@H]2C1 ZINC001164854467 720853452 /nfs/dbraw/zinc/85/34/52/720853452.db2.gz KBEUTYMRLGFXNN-WMZHIEFXSA-N 1 0 452.986 4.124 20 0 JIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751215 720857590 /nfs/dbraw/zinc/85/75/90/720857590.db2.gz QRTLTDZGFLGKHF-PLMTUMEDSA-N 1 0 472.971 4.446 20 0 JIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750234 720858319 /nfs/dbraw/zinc/85/83/19/720858319.db2.gz OXGYTWQXXLKQLG-CMKODMSKSA-N 1 0 483.979 4.032 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744665 720859322 /nfs/dbraw/zinc/85/93/22/720859322.db2.gz CDKFYCZGECMEKT-YPAWHYETSA-N 1 0 494.043 4.456 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164862923 720873936 /nfs/dbraw/zinc/87/39/36/720873936.db2.gz SATLLVCVDMCMSH-WMZHIEFXSA-N 1 0 452.986 4.124 20 0 JIADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753009 720876241 /nfs/dbraw/zinc/87/62/41/720876241.db2.gz OLRMWCQKBXWGLH-RBJSKKJNSA-N 1 0 478.637 4.187 20 0 JIADRO Clc1cccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164752947 720879311 /nfs/dbraw/zinc/87/93/11/720879311.db2.gz NPVGZNMACHNFOY-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO COc1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753004 720879936 /nfs/dbraw/zinc/87/99/36/720879936.db2.gz OGEQSJUNRXHQQF-UFHPHHKVSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164754082 720880128 /nfs/dbraw/zinc/88/01/28/720880128.db2.gz QZWGMWOSDOHEEZ-CYFREDJKSA-N 1 0 470.042 4.495 20 0 JIADRO COc1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753005 720880258 /nfs/dbraw/zinc/88/02/58/720880258.db2.gz OGEQSJUNRXHQQF-YWEHKCAJSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CCC2 ZINC001164751683 720880714 /nfs/dbraw/zinc/88/07/14/720880714.db2.gz LXNHDDCVBHZWOW-HFZDXXHNSA-N 1 0 453.030 4.374 20 0 JIADRO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755262 720880796 /nfs/dbraw/zinc/88/07/96/720880796.db2.gz VNASTVASFNHTLC-AJTFRIOCSA-N 1 0 461.585 4.227 20 0 JIADRO c1ccc(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164755309 720880839 /nfs/dbraw/zinc/88/08/39/720880839.db2.gz WLEHLHKFICLPFT-RBJSKKJNSA-N 1 0 471.605 4.419 20 0 JIADRO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755264 720880983 /nfs/dbraw/zinc/88/09/83/720880983.db2.gz VNASTVASFNHTLC-CUNXSJBXSA-N 1 0 461.585 4.227 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)CC[C@H]2C1 ZINC001164853881 720881461 /nfs/dbraw/zinc/88/14/61/720881461.db2.gz DKHINTVLAOULKF-UNMCSNQZSA-N 1 0 450.608 4.046 20 0 JIADRO Clc1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cn1 ZINC001164756849 720882888 /nfs/dbraw/zinc/88/28/88/720882888.db2.gz RNNGNCIYCJXJIM-GJZUVCINSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1nc2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754463 720884371 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/nfs/dbraw/zinc/43/68/85/721436885.db2.gz DEMWRUYNMMEOIU-QPPBQGQZSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895772 721439426 /nfs/dbraw/zinc/43/94/26/721439426.db2.gz PIQQMLVRNJDADE-BVAGGSTKSA-N 1 0 452.668 4.139 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C3)O2)CC1 ZINC001164896171 721445502 /nfs/dbraw/zinc/44/55/02/721445502.db2.gz QTWUHQDZGYDNSI-KOSHJBKYSA-N 1 0 494.442 4.355 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888687 721445800 /nfs/dbraw/zinc/44/58/00/721445800.db2.gz AJROKAURMDLZBS-DNVCBOLYSA-N 1 0 482.925 4.064 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164783292 721452475 /nfs/dbraw/zinc/45/24/75/721452475.db2.gz BJOLSEXINLAYAD-LJQANCHMSA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164789354 721456065 /nfs/dbraw/zinc/45/60/65/721456065.db2.gz UWWWUPHRLVGYNQ-GOSISDBHSA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164787819 721457793 /nfs/dbraw/zinc/45/77/93/721457793.db2.gz SKZOZOJTFNSQJT-QGZVFWFLSA-N 1 0 480.987 4.295 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164787610 721459830 /nfs/dbraw/zinc/45/98/30/721459830.db2.gz RQAHXGDJAFAELV-GOSISDBHSA-N 1 0 483.003 4.495 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164790151 721461389 /nfs/dbraw/zinc/46/13/89/721461389.db2.gz ZROWHJLVAYQMPK-HXUWFJFHSA-N 1 0 456.656 4.086 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164892231 721470350 /nfs/dbraw/zinc/47/03/50/721470350.db2.gz PNWTXTFTJDRBIP-RCZVLFRGSA-N 1 0 460.626 4.463 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164790611 721471395 /nfs/dbraw/zinc/47/13/95/721471395.db2.gz SFOOWRFRNALBPO-NRFANRHFSA-N 1 0 494.076 4.424 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164791709 721473352 /nfs/dbraw/zinc/47/33/52/721473352.db2.gz XUYDXTIXMHTBRK-QGZVFWFLSA-N 1 0 457.446 4.080 20 0 JIADRO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2N1C1CCCC1 ZINC001164792497 721495276 /nfs/dbraw/zinc/49/52/76/721495276.db2.gz PTSUTTZQLDIMAU-XMMPIXPASA-N 1 0 489.668 4.232 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C4CC4)nc4scc(-c5ccccc5)c42)CC3)CC1 ZINC001164795636 721520638 /nfs/dbraw/zinc/52/06/38/721520638.db2.gz PVDQIALCGVEOMR-UHFFFAOYSA-N 1 0 485.661 4.200 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164900552 721523733 /nfs/dbraw/zinc/52/37/33/721523733.db2.gz SFZXVEPOKLDPHK-IFMALSPDSA-N 1 0 479.987 4.127 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804007 721576674 /nfs/dbraw/zinc/57/66/74/721576674.db2.gz KQRYSUSXLRFWCP-ZDULRJDPSA-N 1 0 472.637 4.272 20 0 JIADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908312 721692259 /nfs/dbraw/zinc/69/22/59/721692259.db2.gz YHUXRHVDKQQGAG-NRFANRHFSA-N 1 0 498.956 4.408 20 0 JIADRO CCOC(=O)c1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904278 721715764 /nfs/dbraw/zinc/71/57/64/721715764.db2.gz BFQQLDXZUAXFIP-QFIPXVFZSA-N 1 0 473.549 4.001 20 0 JIADRO COc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164907670 721723329 /nfs/dbraw/zinc/72/33/29/721723329.db2.gz SLTNNMNXRBPBDN-XMMPIXPASA-N 1 0 451.521 4.285 20 0 JIADRO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909833 721728490 /nfs/dbraw/zinc/72/84/90/721728490.db2.gz DWLMJLGOJDWEQC-AREMUKBSSA-N 1 0 493.558 4.438 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027372 721811847 /nfs/dbraw/zinc/81/18/47/721811847.db2.gz UKYWKWBHJOAJDZ-JQHSSLGASA-N 1 0 476.046 4.161 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)OCC ZINC001165018905 721812360 /nfs/dbraw/zinc/81/23/60/721812360.db2.gz AUTRZPZJVVNLKS-YUXAGFNASA-N 1 0 474.049 4.204 20 0 JIADRO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165023542 721813336 /nfs/dbraw/zinc/81/33/36/721813336.db2.gz HTUCCMBMYOITSY-CDXJDZJCSA-N 1 0 468.001 4.432 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C[C@H]21 ZINC001165026200 721815504 /nfs/dbraw/zinc/81/55/04/721815504.db2.gz PMYVOPFLYVBJFM-DUXKGJEZSA-N 1 0 456.034 4.395 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165026776 721827191 /nfs/dbraw/zinc/82/71/91/721827191.db2.gz QFMJMBGJCNGVIH-CYSDGLOUSA-N 1 0 459.594 4.293 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC001165023201 721843611 /nfs/dbraw/zinc/84/36/11/721843611.db2.gz YOOHMOVLFPAYKR-UHFFFAOYSA-N 1 0 486.616 4.403 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001165031089 721844360 /nfs/dbraw/zinc/84/43/60/721844360.db2.gz RDGGCASOBFNZGZ-UHFFFAOYSA-N 1 0 459.594 4.145 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)[C@@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001165021241 721844373 /nfs/dbraw/zinc/84/43/73/721844373.db2.gz JCIOCIVDPASUQD-QFIPXVFZSA-N 1 0 488.938 4.053 20 0 JIADRO Clc1ncc2c(c1N1CCN(C[C@H]3CCCO3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165039217 721916189 /nfs/dbraw/zinc/91/61/89/721916189.db2.gz RKKGKZUKGNHIJP-JOCHJYFZSA-N 1 0 483.056 4.058 20 0 JIADRO C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001165049511 721975369 /nfs/dbraw/zinc/97/53/69/721975369.db2.gz PMRVEJDHRUQOBL-FQEVSTJZSA-N 1 0 469.699 4.247 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056537 722015018 /nfs/dbraw/zinc/01/50/18/722015018.db2.gz VHHWFYJTXGNADI-UHFFFAOYSA-N 1 0 468.960 4.478 20 0 JIADRO c1ccc(CC[NH+]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC001165055292 722017034 /nfs/dbraw/zinc/01/70/34/722017034.db2.gz OYCIWPITTGRXAX-UHFFFAOYSA-N 1 0 456.619 4.392 20 0 JIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978944 722139626 /nfs/dbraw/zinc/13/96/26/722139626.db2.gz LCPOJOXVVUHIDX-PGRDOPGGSA-N 1 0 469.948 4.184 20 0 JIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164975183 722142347 /nfs/dbraw/zinc/14/23/47/722142347.db2.gz FIKLQADGDMLVGN-QPPBQGQZSA-N 1 0 477.996 4.110 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971182 722155340 /nfs/dbraw/zinc/15/53/40/722155340.db2.gz BCIISJLWIWWSCG-GCJKJVERSA-N 1 0 469.948 4.184 20 0 JIADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]32)cs1 ZINC001164986264 722179330 /nfs/dbraw/zinc/17/93/30/722179330.db2.gz JNGDPPTZFIIQKW-SXOMAYOGSA-N 1 0 489.689 4.275 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(N4CCN(c5ccccc5)CC4)nn2)C3)c1 ZINC001164995359 722208639 /nfs/dbraw/zinc/20/86/39/722208639.db2.gz MJQAKXPOSGZWHT-MUUNZHRXSA-N 1 0 472.612 4.187 20 0 JIADRO Cc1ccc(-c2csc3ncnc(N4CCCn5cnc(COCC[NH+](C)C)c5C4)c23)cc1 ZINC001164999538 722252662 /nfs/dbraw/zinc/25/26/62/722252662.db2.gz AQSKTJMJSUBBTF-UHFFFAOYSA-N 1 0 462.623 4.352 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300643340 1069313398 /nfs/dbraw/zinc/31/33/98/1069313398.db2.gz YPXPKDRPECQRJW-QPPBQGQZSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300646014 1069318615 /nfs/dbraw/zinc/31/86/15/1069318615.db2.gz FHEGRBHXYYTHBD-ROUUACIJSA-N 1 0 475.540 4.243 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300647091 1069323121 /nfs/dbraw/zinc/32/31/21/1069323121.db2.gz AUYXYIBSNSCONO-FGZHOGPDSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@@H]1C ZINC001492592910 1069323671 /nfs/dbraw/zinc/32/36/71/1069323671.db2.gz WUSPJRQPMQTEAQ-GMAHTHKFSA-N 1 0 498.672 4.016 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H]2CSC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300651379 1069335056 /nfs/dbraw/zinc/33/50/56/1069335056.db2.gz YBYIYYGGWXEUGL-SFTDATJTSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001300652288 1069339107 /nfs/dbraw/zinc/33/91/07/1069339107.db2.gz PONJEVDJDIDDIQ-BWKNWUBXSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1ccc(CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)c2ccc3c(c2)OCCO3)s1 ZINC001354572305 1069345732 /nfs/dbraw/zinc/34/57/32/1069345732.db2.gz LVSGKMNQAHNGAF-UHFFFAOYSA-N 1 0 453.564 4.010 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300658424 1069361118 /nfs/dbraw/zinc/36/11/18/1069361118.db2.gz DRGNGMPZEXEFQR-ZJSXRUAMSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300659411 1069364359 /nfs/dbraw/zinc/36/43/59/1069364359.db2.gz YFMJTMSUGKPLRH-JIPXPUAJSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300660219 1069367025 /nfs/dbraw/zinc/36/70/25/1069367025.db2.gz KKXCDBNEECWUNA-HBMCJLEFSA-N 1 0 459.610 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001300660560 1069368417 /nfs/dbraw/zinc/36/84/17/1069368417.db2.gz LUCYPEYLOYSLQB-LJQANCHMSA-N 1 0 459.660 4.072 20 0 JIADRO COCCCC[NH+]1CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200715052 1069369650 /nfs/dbraw/zinc/36/96/50/1069369650.db2.gz XZGYZRNPYADGLH-UHFFFAOYSA-N 1 0 470.355 4.089 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC001354596589 1069376361 /nfs/dbraw/zinc/37/63/61/1069376361.db2.gz KTGWRCVFRLWBDA-WIYYLYMNSA-N 1 0 458.400 4.052 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359347094 1069419031 /nfs/dbraw/zinc/41/90/31/1069419031.db2.gz DQUYLIXAAFLSTB-DJAVKIJBSA-N 1 0 466.655 4.320 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCc1cccnc1 ZINC001300676170 1069422755 /nfs/dbraw/zinc/42/27/55/1069422755.db2.gz BCNDPQLVZIMECQ-UHFFFAOYSA-N 1 0 466.655 4.137 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1CC1(SC)CCOCC1 ZINC001300676434 1069424269 /nfs/dbraw/zinc/42/42/69/1069424269.db2.gz DSMJEHHNJYSAPC-UHFFFAOYSA-N 1 0 491.727 4.022 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001359349097 1069424912 /nfs/dbraw/zinc/42/49/12/1069424912.db2.gz QQMDBDAHVYRBAV-KBDAKURLSA-N 1 0 450.631 4.033 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359348676 1069424980 /nfs/dbraw/zinc/42/49/80/1069424980.db2.gz KJRXQROTWVWULL-UGLJMTFXSA-N 1 0 450.631 4.033 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cccc(C)n2)n1CCCC[NH+]1CCOCC1 ZINC001359348733 1069425060 /nfs/dbraw/zinc/42/50/60/1069425060.db2.gz LKQQWSQRMSGYIR-LSDHQDQOSA-N 1 0 460.626 4.301 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359349203 1069425693 /nfs/dbraw/zinc/42/56/93/1069425693.db2.gz STPKFLZJOPTQMN-CFDQUBHBSA-N 1 0 464.658 4.424 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359349204 1069425752 /nfs/dbraw/zinc/42/57/52/1069425752.db2.gz STPKFLZJOPTQMN-CXWFXEOSSA-N 1 0 464.658 4.424 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1CCCn1nc(C)cc1C ZINC001300676985 1069428593 /nfs/dbraw/zinc/42/85/93/1069428593.db2.gz KBLZIQMYTUZHNZ-UHFFFAOYSA-N 1 0 483.686 4.013 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001359351064 1069431898 /nfs/dbraw/zinc/43/18/98/1069431898.db2.gz XHLGXMDUJXELSW-UHFFFAOYSA-N 1 0 466.674 4.057 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001300678203 1069435949 /nfs/dbraw/zinc/43/59/49/1069435949.db2.gz ZUYMHRICXMGRRG-UXHICEINSA-N 1 0 473.687 4.172 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359353985 1069437796 /nfs/dbraw/zinc/43/77/96/1069437796.db2.gz VFYBQROHGQHIKE-UHFFFAOYSA-N 1 0 472.703 4.034 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359378168 1069482868 /nfs/dbraw/zinc/48/28/68/1069482868.db2.gz DNYULCDYQIRIAG-DEOSSOPVSA-N 1 0 498.716 4.190 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@H]2C)CC1 ZINC001359380468 1069485086 /nfs/dbraw/zinc/48/50/86/1069485086.db2.gz MNICDTFTMJSDRN-FYYLOGMGSA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC001359386185 1069494016 /nfs/dbraw/zinc/49/40/16/1069494016.db2.gz VYUHDSCMJIXDCN-IEBWSBKVSA-N 1 0 493.483 4.429 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359386216 1069494742 /nfs/dbraw/zinc/49/47/42/1069494742.db2.gz WQLCDMXXXZOFLD-UHFFFAOYSA-N 1 0 466.674 4.176 20 0 JIADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC001359395715 1069500226 /nfs/dbraw/zinc/50/02/26/1069500226.db2.gz GKRPRFFTUCGUBU-QHCPKHFHSA-N 1 0 484.689 4.040 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC001359393351 1069498636 /nfs/dbraw/zinc/49/86/36/1069498636.db2.gz QUYISVSTDLUMLW-DVECYGJZSA-N 1 0 487.092 4.090 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](C)C1 ZINC001359395309 1069499712 /nfs/dbraw/zinc/49/97/12/1069499712.db2.gz SYVFGEDDCJINHK-MRJKTFCFSA-N 1 0 480.701 4.021 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)[C@@H](C)C1 ZINC001359396802 1069501947 /nfs/dbraw/zinc/50/19/47/1069501947.db2.gz LZXVCNCOFSFUMU-WMZHIEFXSA-N 1 0 498.722 4.300 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001359410746 1069524370 /nfs/dbraw/zinc/52/43/70/1069524370.db2.gz MXMIHAHPHKHRTM-CBNMVNINSA-N 1 0 458.676 4.184 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359411851 1069529867 /nfs/dbraw/zinc/52/98/67/1069529867.db2.gz ZPEWGRCETLDRBI-UHFFFAOYSA-N 1 0 491.055 4.496 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359412428 1069531877 /nfs/dbraw/zinc/53/18/77/1069531877.db2.gz WPFYVOWWCFJODH-BOMBAVFCSA-N 1 0 466.674 4.257 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359415806 1069540705 /nfs/dbraw/zinc/54/07/05/1069540705.db2.gz RWZXOBWENFUIFF-UPVQGACJSA-N 1 0 496.700 4.404 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359424291 1069549019 /nfs/dbraw/zinc/54/90/19/1069549019.db2.gz AKMISTDIUCJFKZ-JOCHJYFZSA-N 1 0 484.714 4.248 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001359426748 1069552924 /nfs/dbraw/zinc/55/29/24/1069552924.db2.gz UCWFTQCGISFLMN-UHFFFAOYSA-N 1 0 467.445 4.087 20 0 JIADRO CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359428582 1069553932 /nfs/dbraw/zinc/55/39/32/1069553932.db2.gz HIMUTVZLZFYFHF-XMMPIXPASA-N 1 0 480.701 4.274 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001359436207 1069563932 /nfs/dbraw/zinc/56/39/32/1069563932.db2.gz KZCDMZOTUYBYEN-FGZHOGPDSA-N 1 0 470.662 4.039 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001359437341 1069565634 /nfs/dbraw/zinc/56/56/34/1069565634.db2.gz CSBAHOJGGYXNCN-HWBMXIPRSA-N 1 0 472.722 4.121 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359439034 1069568699 /nfs/dbraw/zinc/56/86/99/1069568699.db2.gz MEHGCZWIZOFIOY-IBGZPJMESA-N 1 0 493.121 4.164 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001359443560 1069575494 /nfs/dbraw/zinc/57/54/94/1069575494.db2.gz DGTTYAWPHHEXER-FQEVSTJZSA-N 1 0 494.709 4.412 20 0 JIADRO CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359456028 1069581719 /nfs/dbraw/zinc/58/17/19/1069581719.db2.gz LBDGGQDOVVWZGM-NRFANRHFSA-N 1 0 473.065 4.217 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359464562 1069592143 /nfs/dbraw/zinc/59/21/43/1069592143.db2.gz XEMJNNSMZHZDLA-IBGZPJMESA-N 1 0 460.692 4.044 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359465110 1069594957 /nfs/dbraw/zinc/59/49/57/1069594957.db2.gz QYUHNIUHLNTMGZ-JOCHJYFZSA-N 1 0 472.703 4.260 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359504774 1069773992 /nfs/dbraw/zinc/77/39/92/1069773992.db2.gz DTHWVGWZNRDYMY-HXUWFJFHSA-N 1 0 453.622 4.340 20 0 JIADRO CC(C)(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359512772 1069796428 /nfs/dbraw/zinc/79/64/28/1069796428.db2.gz RDVJBTXEMBJCHF-UHFFFAOYSA-N 1 0 484.664 4.333 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359520014 1069807697 /nfs/dbraw/zinc/80/76/97/1069807697.db2.gz XDXPRGPPMCXTTR-OAQYLSRUSA-N 1 0 467.662 4.454 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001359520511 1069808060 /nfs/dbraw/zinc/80/80/60/1069808060.db2.gz HGEVDPOUFIZHOD-ZEQRLZLVSA-N 1 0 453.675 4.173 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001359525252 1069814838 /nfs/dbraw/zinc/81/48/38/1069814838.db2.gz XXMPYSFUZZYQHH-NRFANRHFSA-N 1 0 460.022 4.024 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCCCC2)CCO1 ZINC001359525365 1069814923 /nfs/dbraw/zinc/81/49/23/1069814923.db2.gz ZVNVIPCPVRCWHO-QFIPXVFZSA-N 1 0 459.610 4.124 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001359529237 1069819002 /nfs/dbraw/zinc/81/90/02/1069819002.db2.gz NEERYPJCXSDWOQ-UHFFFAOYSA-N 1 0 477.600 4.065 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001359530413 1069821616 /nfs/dbraw/zinc/82/16/16/1069821616.db2.gz BONIQUYTQXSKJG-UHFFFAOYSA-N 1 0 461.054 4.449 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(OC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001359531807 1069824752 /nfs/dbraw/zinc/82/47/52/1069824752.db2.gz ZJWPVQQDHXUZQC-NRFANRHFSA-N 1 0 461.695 4.032 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001359535566 1069829680 /nfs/dbraw/zinc/82/96/80/1069829680.db2.gz UKWFEUAIBFZIPW-VQTJNVASSA-N 1 0 453.622 4.383 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCOC[C@@H]1CCOC1 ZINC001359537216 1069831709 /nfs/dbraw/zinc/83/17/09/1069831709.db2.gz ORZOEBPHHHWVIO-QHCPKHFHSA-N 1 0 487.664 4.161 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1c(F)cccc1OC(F)F ZINC001359537743 1069833083 /nfs/dbraw/zinc/83/30/83/1069833083.db2.gz NFGDVIBFRYZWEX-SFHVURJKSA-N 1 0 495.590 4.204 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359540461 1069837885 /nfs/dbraw/zinc/83/78/85/1069837885.db2.gz WRRZTUQANCKIPI-UHFFFAOYSA-N 1 0 474.644 4.166 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001359542131 1069840347 /nfs/dbraw/zinc/84/03/47/1069840347.db2.gz QUORNTKBPZRQLY-XMMPIXPASA-N 1 0 483.701 4.123 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359541155 1069838609 /nfs/dbraw/zinc/83/86/09/1069838609.db2.gz REUOOVHOOHUDGR-RUZDIDTESA-N 1 0 459.704 4.234 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1sccc1Br ZINC001359541425 1069838830 /nfs/dbraw/zinc/83/88/30/1069838830.db2.gz ZFVSOORFZOFDOO-HNNXBMFYSA-N 1 0 452.466 4.414 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359541316 1069838844 /nfs/dbraw/zinc/83/88/44/1069838844.db2.gz WSHZAPRHCCZYNR-OTWHNJEPSA-N 1 0 457.585 4.319 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC[N@H+]1CC=CCC1 ZINC001359541499 1069839197 /nfs/dbraw/zinc/83/91/97/1069839197.db2.gz AQZPCCRBYYYVTR-OAQYLSRUSA-N 1 0 462.013 4.499 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001492595454 1069846220 /nfs/dbraw/zinc/84/62/20/1069846220.db2.gz ZNKOVBRNWGLJEK-UHFFFAOYSA-N 1 0 453.660 4.229 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)Nc2ccccc2)CC1 ZINC001359547616 1069853472 /nfs/dbraw/zinc/85/34/72/1069853472.db2.gz WMPSPGLTZSFHBR-UHFFFAOYSA-N 1 0 454.663 4.454 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CCc2ccccc2OC(F)F)CC1 ZINC001359547969 1069854440 /nfs/dbraw/zinc/85/44/40/1069854440.db2.gz JMGDJVCQZVBNAJ-UHFFFAOYSA-N 1 0 470.568 4.495 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001359548448 1069855285 /nfs/dbraw/zinc/85/52/85/1069855285.db2.gz BBZDPZHVVNCHHI-UHFFFAOYSA-N 1 0 456.997 4.415 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001359550007 1069858120 /nfs/dbraw/zinc/85/81/20/1069858120.db2.gz LLURUSBRLXSLCO-UHFFFAOYSA-N 1 0 464.561 4.313 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001359557296 1069875270 /nfs/dbraw/zinc/87/52/70/1069875270.db2.gz HEXJVDNXCQCGIO-SFTDATJTSA-N 1 0 490.693 4.087 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359556687 1069872828 /nfs/dbraw/zinc/87/28/28/1069872828.db2.gz UVOGHGYFCJRFME-WOJBJXKFSA-N 1 0 494.631 4.136 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001359559651 1069881541 /nfs/dbraw/zinc/88/15/41/1069881541.db2.gz YCZXWGBQXDIXIZ-UFYCRDLUSA-N 1 0 478.657 4.409 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCCC1 ZINC001359561332 1069885169 /nfs/dbraw/zinc/88/51/69/1069885169.db2.gz SNHYYDFLUBAVLB-NRFANRHFSA-N 1 0 488.677 4.007 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C1 ZINC001359563306 1069890095 /nfs/dbraw/zinc/89/00/95/1069890095.db2.gz JIOVGSKSXYTNHP-KRWDZBQOSA-N 1 0 495.455 4.451 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359574099 1069959573 /nfs/dbraw/zinc/95/95/73/1069959573.db2.gz NUIPORGRHVDRFG-YADHBBJMSA-N 1 0 490.693 4.137 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359575544 1069968043 /nfs/dbraw/zinc/96/80/43/1069968043.db2.gz MLGYTWVIWYIVLP-XMMPIXPASA-N 1 0 494.684 4.209 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(F)(F)F)C1 ZINC001359577915 1069987380 /nfs/dbraw/zinc/98/73/80/1069987380.db2.gz NSGQVIISGZGMOO-CALCHBBNSA-N 1 0 486.583 4.066 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001359579304 1069994981 /nfs/dbraw/zinc/99/49/81/1069994981.db2.gz HPJRSCACUWWUOI-VXKWHMMOSA-N 1 0 476.065 4.229 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC001359579747 1069998640 /nfs/dbraw/zinc/99/86/40/1069998640.db2.gz RSZFFOUHYVKCTO-ZEQRLZLVSA-N 1 0 483.701 4.365 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[NH+]1CCCCC1 ZINC001359591779 1070032055 /nfs/dbraw/zinc/03/20/55/1070032055.db2.gz IUURHGBSJXCCRE-RTBURBONSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001359592961 1070035989 /nfs/dbraw/zinc/03/59/89/1070035989.db2.gz XWRBWBCSAPEIKM-VAMGGRTRSA-N 1 0 487.611 4.230 20 0 JIADRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001359598204 1070054327 /nfs/dbraw/zinc/05/43/27/1070054327.db2.gz RWBHYELFFUFRMA-IBGZPJMESA-N 1 0 493.494 4.409 20 0 JIADRO CC(C)=CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359607638 1070069899 /nfs/dbraw/zinc/06/98/99/1070069899.db2.gz WEVOYCWSKBDOQD-NHCUHLMSSA-N 1 0 472.081 4.345 20 0 JIADRO CC(C)=CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359607676 1070070415 /nfs/dbraw/zinc/07/04/15/1070070415.db2.gz XMVVRWUSZPQDPQ-HXUWFJFHSA-N 1 0 471.671 4.016 20 0 JIADRO CC(C)=CCCn1c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359613463 1070078895 /nfs/dbraw/zinc/07/88/95/1070078895.db2.gz XIECNHFLBGYGPL-SHQCIBLASA-N 1 0 467.658 4.386 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001359620550 1070094358 /nfs/dbraw/zinc/09/43/58/1070094358.db2.gz UEMDPPNMZLGMLX-ZKMPZPQNSA-N 1 0 480.701 4.443 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359621380 1070096337 /nfs/dbraw/zinc/09/63/37/1070096337.db2.gz JTADZSFBSXBROS-UGKGYDQZSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359623636 1070103830 /nfs/dbraw/zinc/10/38/30/1070103830.db2.gz ARMARKZFSVKUEV-UHFFFAOYSA-N 1 0 491.055 4.353 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359623495 1070102658 /nfs/dbraw/zinc/10/26/58/1070102658.db2.gz XOGASJBTBRXTQJ-JOCHJYFZSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359624853 1070112315 /nfs/dbraw/zinc/11/23/15/1070112315.db2.gz NKWTXHSAYURFDF-HSZRJFAPSA-N 1 0 496.059 4.037 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359628316 1070131488 /nfs/dbraw/zinc/13/14/88/1070131488.db2.gz BBUQYEHDMUKNIK-ISKFKSNPSA-N 1 0 472.722 4.264 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001359634928 1070161002 /nfs/dbraw/zinc/16/10/02/1070161002.db2.gz JRLUCCTVQFQIHC-OAQYLSRUSA-N 1 0 485.032 4.237 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359637224 1070166847 /nfs/dbraw/zinc/16/68/47/1070166847.db2.gz KUTXAYYRHLGBAW-QHCPKHFHSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359643544 1070181038 /nfs/dbraw/zinc/18/10/38/1070181038.db2.gz DUAZEVKUBBOZIF-UHFFFAOYSA-N 1 0 458.695 4.289 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001359643558 1070181240 /nfs/dbraw/zinc/18/12/40/1070181240.db2.gz FKGNYZXJAFQSHY-GOSISDBHSA-N 1 0 479.467 4.019 20 0 JIADRO CC(C)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359644115 1070185025 /nfs/dbraw/zinc/18/50/25/1070185025.db2.gz ZMFWXZHSSQGCTA-UHFFFAOYSA-N 1 0 475.081 4.464 20 0 JIADRO CC(C)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359645898 1070192421 /nfs/dbraw/zinc/19/24/21/1070192421.db2.gz CGUDITIVPLIBPR-UHFFFAOYSA-N 1 0 475.628 4.378 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001359655744 1070228837 /nfs/dbraw/zinc/22/88/37/1070228837.db2.gz BWBIJGPLRMSNMY-AOHZBQACSA-N 1 0 488.721 4.161 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001359657601 1070247408 /nfs/dbraw/zinc/24/74/08/1070247408.db2.gz KGLTYRVBYGVWOB-UIFIKXQLSA-N 1 0 476.463 4.035 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359657843 1070250102 /nfs/dbraw/zinc/25/01/02/1070250102.db2.gz OUXOTCQIUHFUFQ-QHCPKHFHSA-N 1 0 494.728 4.315 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001359658563 1070256804 /nfs/dbraw/zinc/25/68/04/1070256804.db2.gz DLLOHXVUHOZXDB-LJQANCHMSA-N 1 0 461.035 4.048 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001359658667 1070258218 /nfs/dbraw/zinc/25/82/18/1070258218.db2.gz GNIVJNSLKVTKNB-UEXGIBASSA-N 1 0 476.463 4.442 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001359658848 1070260656 /nfs/dbraw/zinc/26/06/56/1070260656.db2.gz JVQBVXNEFPCLJO-NRFANRHFSA-N 1 0 461.601 4.445 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001359659083 1070263284 /nfs/dbraw/zinc/26/32/84/1070263284.db2.gz PELCPIGDTKUSQR-YADHBBJMSA-N 1 0 494.105 4.122 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001359659487 1070266977 /nfs/dbraw/zinc/26/69/77/1070266977.db2.gz XKUWKVLTUMHIKT-UIFIKXQLSA-N 1 0 476.463 4.035 20 0 JIADRO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001359661709 1070278112 /nfs/dbraw/zinc/27/81/12/1070278112.db2.gz MWOQUNPGKSQRAH-FPOVZHCZSA-N 1 0 460.667 4.112 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001359662680 1070284649 /nfs/dbraw/zinc/28/46/49/1070284649.db2.gz DXVDWXQGZMPEBE-AUSIDOKSSA-N 1 0 461.601 4.273 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+]1CCCC1 ZINC001359663015 1070287586 /nfs/dbraw/zinc/28/75/86/1070287586.db2.gz JMELQROHJDBHDW-QHCPKHFHSA-N 1 0 472.722 4.216 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001359662901 1070286012 /nfs/dbraw/zinc/28/60/12/1070286012.db2.gz IHSMYQORVJBTQM-JTHBVZDNSA-N 1 0 461.695 4.009 20 0 JIADRO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001359664144 1070291356 /nfs/dbraw/zinc/29/13/56/1070291356.db2.gz ABQOFCBSAAIBEG-DEOSSOPVSA-N 1 0 496.700 4.145 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001359665179 1070294754 /nfs/dbraw/zinc/29/47/54/1070294754.db2.gz UPQWBYOORHWGPD-TYPHKJRUSA-N 1 0 488.702 4.153 20 0 JIADRO CC(C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC001359666277 1070301091 /nfs/dbraw/zinc/30/10/91/1070301091.db2.gz QLTRJCPSAYYOSQ-LJQANCHMSA-N 1 0 476.398 4.444 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCC(O)(Cc3ccccc3F)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666366 1070301799 /nfs/dbraw/zinc/30/17/99/1070301799.db2.gz SMFCBAFIPBQTLX-HSZRJFAPSA-N 1 0 471.665 4.409 20 0 JIADRO CC(C)c1csc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC001359670350 1070312768 /nfs/dbraw/zinc/31/27/68/1070312768.db2.gz OZSOURWSTQNLBC-SFTDATJTSA-N 1 0 487.762 4.490 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C[NH+](C)C)C2)no1 ZINC001359670854 1070314407 /nfs/dbraw/zinc/31/44/07/1070314407.db2.gz CNSITYIOXZZUPP-SFHVURJKSA-N 1 0 487.052 4.472 20 0 JIADRO CC(C)c1nc([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)no1 ZINC001359671334 1070316097 /nfs/dbraw/zinc/31/60/97/1070316097.db2.gz OQMNNWCOGOEJJJ-LJQANCHMSA-N 1 0 499.635 4.474 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)cn1 ZINC001359674086 1070324854 /nfs/dbraw/zinc/32/48/54/1070324854.db2.gz ATOSJJKPFVNVET-NRFANRHFSA-N 1 0 455.651 4.192 20 0 JIADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685562 1070341961 /nfs/dbraw/zinc/34/19/61/1070341961.db2.gz XAHSBEOYAGJWFV-QJXQVQFTSA-N 1 0 482.717 4.248 20 0 JIADRO CC(C)c1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359695817 1070354360 /nfs/dbraw/zinc/35/43/60/1070354360.db2.gz UTSQHGSETLGYPZ-OAQYLSRUSA-N 1 0 472.703 4.431 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1cccc(F)c1F ZINC001359696935 1070356118 /nfs/dbraw/zinc/35/61/18/1070356118.db2.gz CAEBMJLFACITLB-KDURUIRLSA-N 1 0 461.601 4.248 20 0 JIADRO CC(C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359700265 1070363693 /nfs/dbraw/zinc/36/36/93/1070363693.db2.gz IVSDGBUOOHWPQV-IBGZPJMESA-N 1 0 461.601 4.288 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCOCC(F)(F)C(F)F ZINC001359706722 1070372505 /nfs/dbraw/zinc/37/25/05/1070372505.db2.gz FXWDLQJBADCPBC-QZTJIDSGSA-N 1 0 463.564 4.409 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359707464 1070375079 /nfs/dbraw/zinc/37/50/79/1070375079.db2.gz UFIOGUSGBPCEFB-XMMPIXPASA-N 1 0 480.701 4.438 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359707886 1070375755 /nfs/dbraw/zinc/37/57/55/1070375755.db2.gz CUBFIULRSBFVPM-QHCPKHFHSA-N 1 0 468.690 4.421 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359711523 1070379029 /nfs/dbraw/zinc/37/90/29/1070379029.db2.gz KGPXMQOXJOXRQJ-JOCHJYFZSA-N 1 0 458.695 4.285 20 0 JIADRO COc1ccc(CCCn2c(C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC001315458848 1064268885 /nfs/dbraw/zinc/26/88/85/1064268885.db2.gz OKXWKDDTNQYGEQ-QHCPKHFHSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001315473344 1064315198 /nfs/dbraw/zinc/31/51/98/1064315198.db2.gz ZYIDKYHOOVHVHH-IBGZPJMESA-N 1 0 465.646 4.143 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001315473895 1064317299 /nfs/dbraw/zinc/31/72/99/1064317299.db2.gz NCBBXGQYYDTIHN-UHFFFAOYSA-N 1 0 478.641 4.424 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001315473942 1064317485 /nfs/dbraw/zinc/31/74/85/1064317485.db2.gz NPERNRTYAHMUDX-SFHVURJKSA-N 1 0 452.578 4.165 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1O ZINC001315476261 1064327488 /nfs/dbraw/zinc/32/74/88/1064327488.db2.gz VMTAKYCGNKVPLT-HXUWFJFHSA-N 1 0 453.587 4.318 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001315479200 1064335626 /nfs/dbraw/zinc/33/56/26/1064335626.db2.gz FYMLZTHKIXONAG-QHCPKHFHSA-N 1 0 483.682 4.241 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC001315479406 1064336302 /nfs/dbraw/zinc/33/63/02/1064336302.db2.gz JTBHGXGIKZSTGK-NRFANRHFSA-N 1 0 498.697 4.352 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCCCC2)c(OC)c1 ZINC001315479770 1064337822 /nfs/dbraw/zinc/33/78/22/1064337822.db2.gz PCXLLEYMLIVRKZ-UHFFFAOYSA-N 1 0 478.641 4.182 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC(F)F ZINC001315498526 1064393599 /nfs/dbraw/zinc/39/35/99/1064393599.db2.gz LGZMSRDDXJIJDT-WMZOPIPTSA-N 1 0 463.573 4.198 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315505317 1064418491 /nfs/dbraw/zinc/41/84/91/1064418491.db2.gz RYPJGVKNYOBBBU-QFIPXVFZSA-N 1 0 486.680 4.069 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001315509670 1064437652 /nfs/dbraw/zinc/43/76/52/1064437652.db2.gz FSAYRSAACHZSHP-UHFFFAOYSA-N 1 0 476.065 4.126 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCO2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315512319 1064449316 /nfs/dbraw/zinc/44/93/16/1064449316.db2.gz WTMVAOLETKFWDQ-PZJWPPBQSA-N 1 0 450.027 4.404 20 0 JIADRO COc1ccc(F)cc1Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315512997 1064453766 /nfs/dbraw/zinc/45/37/66/1064453766.db2.gz VEARTMMOKVDOIN-UHFFFAOYSA-N 1 0 457.619 4.437 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315520775 1064483971 /nfs/dbraw/zinc/48/39/71/1064483971.db2.gz VMULLCLZJISEIC-OAQYLSRUSA-N 1 0 478.641 4.374 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315521976 1064489059 /nfs/dbraw/zinc/48/90/59/1064489059.db2.gz DUAUGTSWLDKHES-LJQANCHMSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001315522155 1064490011 /nfs/dbraw/zinc/49/00/11/1064490011.db2.gz GLWHEMYBDLZYOC-VXKWHMMOSA-N 1 0 485.673 4.116 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001315523013 1064493481 /nfs/dbraw/zinc/49/34/81/1064493481.db2.gz GXBIWSAIVSJZIG-QFIPXVFZSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(C(C)C)n3CC3(SC)CC[NH+](C)CC3)CC2)cc1 ZINC001315525468 1064500761 /nfs/dbraw/zinc/50/07/61/1064500761.db2.gz DYMRCVVVFOXFIV-UHFFFAOYSA-N 1 0 473.687 4.285 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001315527525 1064505296 /nfs/dbraw/zinc/50/52/96/1064505296.db2.gz WYNBWDQRNYIMRR-LJQANCHMSA-N 1 0 455.628 4.356 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001315532899 1064520518 /nfs/dbraw/zinc/52/05/18/1064520518.db2.gz CUJNOTCUTCEAEI-RTWAWAEBSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)Cc2cccs2)cc1 ZINC001315535211 1064525547 /nfs/dbraw/zinc/52/55/47/1064525547.db2.gz SXLKXBZTOIZEAL-HXUWFJFHSA-N 1 0 469.655 4.336 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001315535434 1064526551 /nfs/dbraw/zinc/52/65/51/1064526551.db2.gz SCSGAURLZYGIMI-MHZLTWQESA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001315538386 1064532455 /nfs/dbraw/zinc/53/24/55/1064532455.db2.gz SUTARWVMSNFUCS-FCHUYYIVSA-N 1 0 485.654 4.091 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545279 1064550068 /nfs/dbraw/zinc/55/00/68/1064550068.db2.gz MUAQXNIGXOLOIU-XZOQPEGZSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CC[C@H](CC(C)C)C2)[NH+](C)C)c1 ZINC001315545657 1064551679 /nfs/dbraw/zinc/55/16/79/1064551679.db2.gz BRDOVFPJMZUWDT-YKSBVNFPSA-N 1 0 450.631 4.468 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC001315545738 1064551978 /nfs/dbraw/zinc/55/19/78/1064551978.db2.gz OHTTVWHSFWPKTF-HSZRJFAPSA-N 1 0 468.646 4.031 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc([C@@]3(OC(C)C)CCOC3)n1CC[NH+](C(C)C)C(C)C)CC2 ZINC001315546328 1064553437 /nfs/dbraw/zinc/55/34/37/1064553437.db2.gz NXARJDZKMIAOHF-HHHXNRCGSA-N 1 0 485.673 4.009 20 0 JIADRO COc1cccc([C@H](Cn2c(N3C[C@@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315547740 1064557773 /nfs/dbraw/zinc/55/77/73/1064557773.db2.gz CKBMYPROIPVFKD-UNMCSNQZSA-N 1 0 455.647 4.019 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548039 1064558622 /nfs/dbraw/zinc/55/86/22/1064558622.db2.gz FNPQBUSBABWVCQ-JOCHJYFZSA-N 1 0 471.646 4.009 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@@H](C)[C@@H](OC)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548498 1064561241 /nfs/dbraw/zinc/56/12/41/1064561241.db2.gz KGJZOPCGOIIATO-OIBXWCBGSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001315550044 1064566208 /nfs/dbraw/zinc/56/62/08/1064566208.db2.gz PWUFYBBIGDAVOV-LJQANCHMSA-N 1 0 454.644 4.382 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315555233 1064573870 /nfs/dbraw/zinc/57/38/70/1064573870.db2.gz GDFQPAWFTSYPMT-AWRGLXIESA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001315555700 1064574724 /nfs/dbraw/zinc/57/47/24/1064574724.db2.gz DJBXIIQBKIBAQC-HXUWFJFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315556674 1064576127 /nfs/dbraw/zinc/57/61/27/1064576127.db2.gz SJUBYDILVANMHR-SFTDATJTSA-N 1 0 453.631 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CC(=O)NC4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315557883 1064578682 /nfs/dbraw/zinc/57/86/82/1064578682.db2.gz NENOFSUXEFRZFI-UHFFFAOYSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315559604 1064584051 /nfs/dbraw/zinc/58/40/51/1064584051.db2.gz CTAKQBWAJBERSB-VWNXMTODSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(F)(F)F)c1 ZINC001315559566 1064584327 /nfs/dbraw/zinc/58/43/27/1064584327.db2.gz CDLSEMDSVYCZAM-SFHVURJKSA-N 1 0 451.537 4.464 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001315562849 1064590284 /nfs/dbraw/zinc/59/02/84/1064590284.db2.gz ICLGXHWYAGBWSH-LJQANCHMSA-N 1 0 494.606 4.291 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315563845 1064592918 /nfs/dbraw/zinc/59/29/18/1064592918.db2.gz FFWLVQBYVOBRAG-DHIUTWEWSA-N 1 0 496.700 4.016 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315568193 1064603477 /nfs/dbraw/zinc/60/34/77/1064603477.db2.gz UOYQMJRMCNACGM-RBBKRZOGSA-N 1 0 455.628 4.427 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001315572424 1064620862 /nfs/dbraw/zinc/62/08/62/1064620862.db2.gz URHRAWLGHAHEPT-ZEQRLZLVSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001315573167 1064622378 /nfs/dbraw/zinc/62/23/78/1064622378.db2.gz XBSLLPUNKBNFLK-UGKGYDQZSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001315573165 1064622655 /nfs/dbraw/zinc/62/26/55/1064622655.db2.gz XBSLLPUNKBNFLK-SIKLNZKXSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315573315 1064623451 /nfs/dbraw/zinc/62/34/51/1064623451.db2.gz ZECXOVAXCREIMT-NFBKMPQASA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(C(C)(C)C)n2CCC[NH+]2CCCC2)c1 ZINC001315576912 1064634561 /nfs/dbraw/zinc/63/45/61/1064634561.db2.gz AEGMHJDDHHLMLB-HSZRJFAPSA-N 1 0 455.647 4.256 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001315577560 1064636938 /nfs/dbraw/zinc/63/69/38/1064636938.db2.gz MYUVGEUARQUQGA-OFNKIYASSA-N 1 0 498.672 4.479 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001315583287 1064654170 /nfs/dbraw/zinc/65/41/70/1064654170.db2.gz ZMPTZTDWKHDMTG-JTHBVZDNSA-N 1 0 457.663 4.356 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001315585051 1064661170 /nfs/dbraw/zinc/66/11/70/1064661170.db2.gz FXTJTGGPUYPOPM-JOCHJYFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001315587664 1064669671 /nfs/dbraw/zinc/66/96/71/1064669671.db2.gz TVWYVNPOIXQQJO-XPWALMASSA-N 1 0 499.700 4.278 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001315589028 1064673404 /nfs/dbraw/zinc/67/34/04/1064673404.db2.gz WJVFTSMTLIQRJT-HXUWFJFHSA-N 1 0 486.661 4.315 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315590452 1064678191 /nfs/dbraw/zinc/67/81/91/1064678191.db2.gz ADAMRDUBCHGKAS-AFMDSPMNSA-N 1 0 465.646 4.143 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001315592443 1064684210 /nfs/dbraw/zinc/68/42/10/1064684210.db2.gz YGGCGQUKEFDMMG-DVECYGJZSA-N 1 0 496.681 4.059 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001315593170 1064686625 /nfs/dbraw/zinc/68/66/25/1064686625.db2.gz CXQXKWWIDQKBNY-OAQYLSRUSA-N 1 0 485.673 4.444 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315593457 1064687328 /nfs/dbraw/zinc/68/73/28/1064687328.db2.gz GPHINYJHAMXETB-GOSISDBHSA-N 1 0 472.037 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[NH+]1CCCC1 ZINC001315594164 1064690763 /nfs/dbraw/zinc/69/07/63/1064690763.db2.gz QLOSSHDOAGBIKH-UHFFFAOYSA-N 1 0 466.533 4.161 20 0 JIADRO COc1ccccc1-c1nnc(N(CC(C)C)C2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001315595365 1064693983 /nfs/dbraw/zinc/69/39/83/1064693983.db2.gz AEFNHJUEUBBPDX-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001315597916 1064701358 /nfs/dbraw/zinc/70/13/58/1064701358.db2.gz ICLFAVRADVBEFM-ACRUOGEOSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@@](C)(O)CCC(C)C ZINC001315599218 1064703738 /nfs/dbraw/zinc/70/37/38/1064703738.db2.gz FLNNABWQGUWGOE-LVXARBLLSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCC[NH+]1CCCC1 ZINC001315600950 1064709149 /nfs/dbraw/zinc/70/91/49/1064709149.db2.gz UFMZVINJJZMGIO-UHFFFAOYSA-N 1 0 460.420 4.319 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1CCC[N@H+](C)C(C)C ZINC001315604136 1064716343 /nfs/dbraw/zinc/71/63/43/1064716343.db2.gz GDTABQPIRVRIPO-UHFFFAOYSA-N 1 0 496.681 4.016 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315604699 1064717808 /nfs/dbraw/zinc/71/78/08/1064717808.db2.gz PIGFUNUNFVDTIA-RTWAWAEBSA-N 1 0 481.645 4.081 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001315604815 1064718050 /nfs/dbraw/zinc/71/80/50/1064718050.db2.gz MEKUUUQCUBJRLK-IBGZPJMESA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001315607940 1064726329 /nfs/dbraw/zinc/72/63/29/1064726329.db2.gz SSWPBTQOBICSFN-RTWAWAEBSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001315607939 1064726470 /nfs/dbraw/zinc/72/64/70/1064726470.db2.gz SSWPBTQOBICSFN-NHCUHLMSSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001315608251 1064726929 /nfs/dbraw/zinc/72/69/29/1064726929.db2.gz WDPWNRRFZYVNIW-KNQAVFIVSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001315611289 1064731850 /nfs/dbraw/zinc/73/18/50/1064731850.db2.gz BGMXCUIXWRUHNZ-NRFANRHFSA-N 1 0 469.674 4.369 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315612005 1064732778 /nfs/dbraw/zinc/73/27/78/1064732778.db2.gz FGAWTRUEDYUNDS-RTWAWAEBSA-N 1 0 457.663 4.153 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315614996 1064740180 /nfs/dbraw/zinc/74/01/80/1064740180.db2.gz ZBTAXZLCOMLQPQ-FSSWDIPSSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315617926 1064748150 /nfs/dbraw/zinc/74/81/50/1064748150.db2.gz KAQXQNFWUZQSFD-FQEVSTJZSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315618765 1064750614 /nfs/dbraw/zinc/75/06/14/1064750614.db2.gz PVMODYCRXWFOIZ-LJQANCHMSA-N 1 0 454.644 4.235 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315619606 1064752440 /nfs/dbraw/zinc/75/24/40/1064752440.db2.gz VAAVGVBGOCTFPP-NRFANRHFSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315620762 1064754549 /nfs/dbraw/zinc/75/45/49/1064754549.db2.gz PCCZVNGUKSMUOJ-KWALNSLNSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315620765 1064754611 /nfs/dbraw/zinc/75/46/11/1064754611.db2.gz PCCZVNGUKSMUOJ-YRKFHGTDSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315622385 1064758796 /nfs/dbraw/zinc/75/87/96/1064758796.db2.gz YYXOWCBDBSIJTP-MBDNFAEBSA-N 1 0 469.674 4.390 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCOCCC(C)C ZINC001315624516 1064764359 /nfs/dbraw/zinc/76/43/59/1064764359.db2.gz JDVFHXLSJIEWSX-UHFFFAOYSA-N 1 0 457.663 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001315625960 1064768423 /nfs/dbraw/zinc/76/84/23/1064768423.db2.gz OLLOEPSXFXRLDO-UHFFFAOYSA-N 1 0 483.686 4.042 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC[C@H](C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315628087 1064773995 /nfs/dbraw/zinc/77/39/95/1064773995.db2.gz OBCNBZBZIDZUTJ-FKBYEOEOSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001315630072 1064778834 /nfs/dbraw/zinc/77/88/34/1064778834.db2.gz VGBPIHCIVYUHBF-UPVQGACJSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315632885 1064786394 /nfs/dbraw/zinc/78/63/94/1064786394.db2.gz GPDIUIOEBQRPQN-QFIPXVFZSA-N 1 0 473.687 4.035 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315634459 1064790126 /nfs/dbraw/zinc/79/01/26/1064790126.db2.gz HKIUQQPHNGNZIG-XMMPIXPASA-N 1 0 462.642 4.456 20 0 JIADRO COc1ccccc1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315637487 1064796020 /nfs/dbraw/zinc/79/60/20/1064796020.db2.gz VIVCMDLZVBYXEZ-UHFFFAOYSA-N 1 0 455.006 4.212 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315643593 1064809689 /nfs/dbraw/zinc/80/96/89/1064809689.db2.gz PAGPDVXECBRKDE-FGZHOGPDSA-N 1 0 468.690 4.322 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315646169 1064816840 /nfs/dbraw/zinc/81/68/40/1064816840.db2.gz DCNKSBDDVCTANX-MOPGFXCFSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315651215 1064831173 /nfs/dbraw/zinc/83/11/73/1064831173.db2.gz VMEIOURZABLHMK-SFHVURJKSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315652636 1064836285 /nfs/dbraw/zinc/83/62/85/1064836285.db2.gz WSIXVHFIWOTGKC-FQEVSTJZSA-N 1 0 473.662 4.236 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001315653771 1064838911 /nfs/dbraw/zinc/83/89/11/1064838911.db2.gz MSJDFCHENOJJSJ-JOCHJYFZSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315654825 1064842918 /nfs/dbraw/zinc/84/29/18/1064842918.db2.gz SJSZMACAQJMOED-RCZVLFRGSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001315661240 1064859799 /nfs/dbraw/zinc/85/97/99/1064859799.db2.gz FQBYFHVTYMGLMI-QZTJIDSGSA-N 1 0 459.660 4.065 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001315662254 1064864093 /nfs/dbraw/zinc/86/40/93/1064864093.db2.gz TXAMXGBEWPOSJM-HXUWFJFHSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC(C)(C)O ZINC001315662739 1064866737 /nfs/dbraw/zinc/86/67/37/1064866737.db2.gz CMRIDQSSFXECHT-UHFFFAOYSA-N 1 0 487.714 4.442 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001315663419 1064869799 /nfs/dbraw/zinc/86/97/99/1064869799.db2.gz YWRCFMJLNIVMRI-BGYRXZFFSA-N 1 0 473.687 4.457 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315664563 1064875639 /nfs/dbraw/zinc/87/56/39/1064875639.db2.gz UXHVWJBHCXMTRG-KRWDZBQOSA-N 1 0 453.603 4.401 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cnn(C)c1C ZINC001315664759 1064876422 /nfs/dbraw/zinc/87/64/22/1064876422.db2.gz BRUWGAOFTWBGAL-UHFFFAOYSA-N 1 0 497.713 4.227 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](OC)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315665476 1064878712 /nfs/dbraw/zinc/87/87/12/1064878712.db2.gz RIFQPNFPJWCSFD-HXUWFJFHSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1occc1C ZINC001315665932 1064880729 /nfs/dbraw/zinc/88/07/29/1064880729.db2.gz KVXHOIQXEHWCRU-UHFFFAOYSA-N 1 0 455.628 4.307 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(C)(C)O ZINC001315665997 1064881169 /nfs/dbraw/zinc/88/11/69/1064881169.db2.gz LZUMRMVZYGNKKB-UHFFFAOYSA-N 1 0 473.687 4.051 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315669101 1064894751 /nfs/dbraw/zinc/89/47/51/1064894751.db2.gz GDEMMTHOSOQLIO-ZCNNSNEGSA-N 1 0 461.651 4.495 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315669381 1064896078 /nfs/dbraw/zinc/89/60/78/1064896078.db2.gz IZTGZCLEQBPUKZ-QHAWAJNXSA-N 1 0 473.687 4.313 20 0 JIADRO COc1ncccc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315675172 1064909538 /nfs/dbraw/zinc/90/95/38/1064909538.db2.gz GYMYSUVPAXAUQF-UHFFFAOYSA-N 1 0 485.430 4.126 20 0 JIADRO COC1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001315682203 1064927746 /nfs/dbraw/zinc/92/77/46/1064927746.db2.gz FYNRBHAICHDUFR-UHFFFAOYSA-N 1 0 461.601 4.273 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315690782 1064946696 /nfs/dbraw/zinc/94/66/96/1064946696.db2.gz GUWVIUOWZBOIAR-WOJBJXKFSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315691399 1064948034 /nfs/dbraw/zinc/94/80/34/1064948034.db2.gz IWDQBKYJXCGBAC-GMAHTHKFSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315692349 1064950365 /nfs/dbraw/zinc/95/03/65/1064950365.db2.gz MWYATHPUTWCCNG-SJBKTWHCSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001315693149 1064951323 /nfs/dbraw/zinc/95/13/23/1064951323.db2.gz PKFIFODZAHAYGP-WIYYLYMNSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001315702438 1064966287 /nfs/dbraw/zinc/96/62/87/1064966287.db2.gz LVGKMXAPFRPXCG-QHCPKHFHSA-N 1 0 468.671 4.138 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315702528 1064966424 /nfs/dbraw/zinc/96/64/24/1064966424.db2.gz HJXLXQSYJOTFQG-ARNLJNQMSA-N 1 0 453.675 4.437 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001315703189 1064967647 /nfs/dbraw/zinc/96/76/47/1064967647.db2.gz CMXOBYWKQQYBRS-OALUTQOASA-N 1 0 476.065 4.492 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001315704921 1064973206 /nfs/dbraw/zinc/97/32/06/1064973206.db2.gz KPNITEGIVHGRRX-LJQANCHMSA-N 1 0 492.064 4.015 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1(C)C ZINC001315705230 1064973843 /nfs/dbraw/zinc/97/38/43/1064973843.db2.gz LRSXIGKPWLFYQE-OAQYLSRUSA-N 1 0 476.065 4.349 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001315705688 1064975405 /nfs/dbraw/zinc/97/54/05/1064975405.db2.gz AZBIUKALGCAKES-IBGZPJMESA-N 1 0 450.052 4.325 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315706156 1064976683 /nfs/dbraw/zinc/97/66/83/1064976683.db2.gz UGMIOSFFUQXPNM-QFQXNSOFSA-N 1 0 487.714 4.341 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2Nc2cnn(CC3CCC3)c2)CC1 ZINC001315706457 1064978123 /nfs/dbraw/zinc/97/81/23/1064978123.db2.gz XSYCTDYHAROAFP-UHFFFAOYSA-N 1 0 457.667 4.496 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001315707276 1064980831 /nfs/dbraw/zinc/98/08/31/1064980831.db2.gz XWMGXXFYCINXQX-NQIIRXRSSA-N 1 0 495.590 4.299 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)C(C)C)CC[C@@H]1C ZINC001315711228 1064988243 /nfs/dbraw/zinc/98/82/43/1064988243.db2.gz AGHXRQYYMHLDKR-BBTUJRGHSA-N 1 0 450.027 4.273 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001315712669 1064994884 /nfs/dbraw/zinc/99/48/84/1064994884.db2.gz LNPBWVLIWNAEGJ-PXNSSMCTSA-N 1 0 493.494 4.409 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCCC2)CC[C@@H]1C ZINC001315712766 1064996349 /nfs/dbraw/zinc/99/63/49/1064996349.db2.gz CFPWBJWROAAESE-XUZZJYLKSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC[C@H]1C ZINC001315713771 1065000173 /nfs/dbraw/zinc/00/01/73/1065000173.db2.gz PNNXDCSDCLZSOZ-JXXFODFXSA-N 1 0 480.426 4.192 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001315714472 1065002473 /nfs/dbraw/zinc/00/24/73/1065002473.db2.gz BQYWEUDIZCIHNF-PXNSSMCTSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001315714851 1065003679 /nfs/dbraw/zinc/00/36/79/1065003679.db2.gz QVDHNQOOCRCCHY-CNNODRBYSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315716779 1065007462 /nfs/dbraw/zinc/00/74/62/1065007462.db2.gz UTXANZGRRAPUIP-GGAORHGYSA-N 1 0 453.631 4.158 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315716783 1065008307 /nfs/dbraw/zinc/00/83/07/1065008307.db2.gz UTXANZGRRAPUIP-JTHBVZDNSA-N 1 0 453.631 4.158 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@H+](C)C2CC2)CC1(C)C ZINC001315717251 1065008825 /nfs/dbraw/zinc/00/88/25/1065008825.db2.gz OLXZGLDPSONMRX-LIRRHRJNSA-N 1 0 480.426 4.191 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC[C@@H]1C ZINC001315717532 1065009984 /nfs/dbraw/zinc/00/99/84/1065009984.db2.gz JHVXBJJVEUSDOW-RDPSFJRHSA-N 1 0 452.647 4.417 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001315718343 1065011397 /nfs/dbraw/zinc/01/13/97/1065011397.db2.gz YJYXQEQCPCSMCG-KBQHCZQWSA-N 1 0 499.700 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001315730637 1065027831 /nfs/dbraw/zinc/02/78/31/1065027831.db2.gz UWNRCOOMCUTHJZ-OTNCWRBYSA-N 1 0 462.642 4.036 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCCC2)CC[C@H]1C ZINC001315732151 1065029913 /nfs/dbraw/zinc/02/99/13/1065029913.db2.gz APMDGEXSWOLIKK-VWNXMTODSA-N 1 0 455.647 4.211 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001315732605 1065030938 /nfs/dbraw/zinc/03/09/38/1065030938.db2.gz DBUWRRJJHYEPKI-JTHBVZDNSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001315732603 1065031087 /nfs/dbraw/zinc/03/10/87/1065031087.db2.gz DBUWRRJJHYEPKI-GGAORHGYSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC001315732998 1065031870 /nfs/dbraw/zinc/03/18/70/1065031870.db2.gz FTINSUKGFLLFBE-PKTZIBPZSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC[C@@H]1C ZINC001315735730 1065037379 /nfs/dbraw/zinc/03/73/79/1065037379.db2.gz MAUOQKVSNKVPHW-AWRGLXIESA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1(C)C ZINC001315735796 1065037893 /nfs/dbraw/zinc/03/78/93/1065037893.db2.gz MIENCYPVVAOYAD-GGAORHGYSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC(C)CC2)CC1(C)C ZINC001315737566 1065041394 /nfs/dbraw/zinc/04/13/94/1065041394.db2.gz UJXIRRZXUNUMDI-HSZRJFAPSA-N 1 0 455.647 4.149 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC[C@H]1C ZINC001315738517 1065044702 /nfs/dbraw/zinc/04/47/02/1065044702.db2.gz YQPKYTZRIVSXJP-GGAORHGYSA-N 1 0 455.647 4.149 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001315764362 1065080938 /nfs/dbraw/zinc/08/09/38/1065080938.db2.gz UJZVQDQFQNMMMR-UHFFFAOYSA-N 1 0 469.033 4.031 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001315772022 1065094587 /nfs/dbraw/zinc/09/45/87/1065094587.db2.gz QSYFXDWELHNYBJ-UHFFFAOYSA-N 1 0 473.637 4.370 20 0 JIADRO COC[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001315777141 1065104275 /nfs/dbraw/zinc/10/42/75/1065104275.db2.gz PTZUUQOCWAQBJW-VSKRKVRLSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315781459 1065112528 /nfs/dbraw/zinc/11/25/28/1065112528.db2.gz KVFFRCZDGATBTP-MRXNPFEDSA-N 1 0 484.870 4.422 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001315782331 1065114002 /nfs/dbraw/zinc/11/40/02/1065114002.db2.gz PXZQOVWLXMIWJV-KRWDZBQOSA-N 1 0 462.436 4.055 20 0 JIADRO COC[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001315786470 1065123215 /nfs/dbraw/zinc/12/32/15/1065123215.db2.gz HVFLBBCLFGIGAN-VQTJNVASSA-N 1 0 494.105 4.055 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001315787486 1065125576 /nfs/dbraw/zinc/12/55/76/1065125576.db2.gz VBQNLTXLPUYWKJ-UPVQGACJSA-N 1 0 453.675 4.408 20 0 JIADRO COC[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315789135 1065128291 /nfs/dbraw/zinc/12/82/91/1065128291.db2.gz OBDBKEZGZSYZOG-UXHICEINSA-N 1 0 468.671 4.017 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315789236 1065128311 /nfs/dbraw/zinc/12/83/11/1065128311.db2.gz OBDBKEZGZSYZOG-VQTJNVASSA-N 1 0 468.671 4.017 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315789661 1065129919 /nfs/dbraw/zinc/12/99/19/1065129919.db2.gz RGZNWOHEOIJHKU-SFTDATJTSA-N 1 0 453.656 4.314 20 0 JIADRO COC[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315795146 1065139904 /nfs/dbraw/zinc/13/99/04/1065139904.db2.gz XCBDCXJDCZNTRM-INIZCTEOSA-N 1 0 470.445 4.367 20 0 JIADRO COC[C@@H](F)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001315810704 1065156279 /nfs/dbraw/zinc/15/62/79/1065156279.db2.gz AJDYGBWUJQKWTP-AEFFLSMTSA-N 1 0 498.416 4.143 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001315827458 1065184784 /nfs/dbraw/zinc/18/47/84/1065184784.db2.gz DJEMIEDXLIGJIN-GOSISDBHSA-N 1 0 493.494 4.411 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001315832744 1065199538 /nfs/dbraw/zinc/19/95/38/1065199538.db2.gz JFCAWBMXVYMINF-LJQANCHMSA-N 1 0 463.617 4.376 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001315832838 1065200235 /nfs/dbraw/zinc/20/02/35/1065200235.db2.gz LOOJWRSTDNHABR-NRFANRHFSA-N 1 0 490.092 4.276 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001315833378 1065201825 /nfs/dbraw/zinc/20/18/25/1065201825.db2.gz RWKWCAJXPXYBPC-UHFFFAOYSA-N 1 0 457.638 4.383 20 0 JIADRO COCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC001315843756 1065229734 /nfs/dbraw/zinc/22/97/34/1065229734.db2.gz FKNJFAMYFSZQMF-UHFFFAOYSA-N 1 0 455.647 4.327 20 0 JIADRO COCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CCC1 ZINC001315845457 1065235755 /nfs/dbraw/zinc/23/57/55/1065235755.db2.gz ZGKZYCMOLGVYLA-UHFFFAOYSA-N 1 0 463.573 4.330 20 0 JIADRO COCC1(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCCCC1 ZINC001315849428 1065243161 /nfs/dbraw/zinc/24/31/61/1065243161.db2.gz JIWSJDZIRFEBST-UHFFFAOYSA-N 1 0 460.692 4.151 20 0 JIADRO COCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001315856617 1065260778 /nfs/dbraw/zinc/26/07/78/1065260778.db2.gz FGNYJAGDSHTJQO-ZRZAMGCNSA-N 1 0 482.717 4.056 20 0 JIADRO COCc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315859703 1065267704 /nfs/dbraw/zinc/26/77/04/1065267704.db2.gz AUPXRIIHFZZHAM-UHFFFAOYSA-N 1 0 462.642 4.401 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001315861243 1065272134 /nfs/dbraw/zinc/27/21/34/1065272134.db2.gz XPSPSNWJQIGFEO-UHFFFAOYSA-N 1 0 472.431 4.061 20 0 JIADRO COCC1=CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315864227 1065277654 /nfs/dbraw/zinc/27/76/54/1065277654.db2.gz FDZASKARBTUQLJ-QHCPKHFHSA-N 1 0 483.638 4.110 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315869378 1065290479 /nfs/dbraw/zinc/29/04/79/1065290479.db2.gz HEDWQSLJUWHBEQ-RUZDIDTESA-N 1 0 467.658 4.459 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315880255 1065315965 /nfs/dbraw/zinc/31/59/65/1065315965.db2.gz FCRATKASNLDIFD-QFIPXVFZSA-N 1 0 469.674 4.395 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001315880803 1065318027 /nfs/dbraw/zinc/31/80/27/1065318027.db2.gz MACFGJYSYVWDAW-REWPJTCUSA-N 1 0 476.065 4.088 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315882305 1065322222 /nfs/dbraw/zinc/32/22/22/1065322222.db2.gz RZZUBADYUQWTIW-QHCPKHFHSA-N 1 0 469.674 4.417 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315885267 1065331454 /nfs/dbraw/zinc/33/14/54/1065331454.db2.gz NIZDDWLXFUCHFZ-FGZHOGPDSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315885415 1065332293 /nfs/dbraw/zinc/33/22/93/1065332293.db2.gz AVLVPFXJTYHJRP-GOTSBHOMSA-N 1 0 455.647 4.150 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315887256 1065337659 /nfs/dbraw/zinc/33/76/59/1065337659.db2.gz JFUHKPCOVFKRNM-AZGAKELHSA-N 1 0 499.700 4.084 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@H+](C)C(C)C)C1 ZINC001315894084 1065358094 /nfs/dbraw/zinc/35/80/94/1065358094.db2.gz ZHOOLWFVYGQMLY-KRWDZBQOSA-N 1 0 482.442 4.440 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315896041 1065362647 /nfs/dbraw/zinc/36/26/47/1065362647.db2.gz QSYHBKOFEDGVLU-ZWKOTPCHSA-N 1 0 479.467 4.019 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315896038 1065362691 /nfs/dbraw/zinc/36/26/91/1065362691.db2.gz QSYHBKOFEDGVLU-MSOLQXFVSA-N 1 0 479.467 4.019 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001315897274 1065365397 /nfs/dbraw/zinc/36/53/97/1065365397.db2.gz UCXBRLGVWGQUTP-JOCHJYFZSA-N 1 0 465.646 4.112 20 0 JIADRO 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1cccc(C)c1 ZINC001316297307 1066057925 /nfs/dbraw/zinc/05/79/25/1066057925.db2.gz RRTNRDNGCKWSCJ-ZEQRLZLVSA-N 1 0 469.674 4.111 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316303069 1066063282 /nfs/dbraw/zinc/06/32/82/1066063282.db2.gz SIPNFLRVZFIKGN-YHDCXSKOSA-N 1 0 487.611 4.147 20 0 JIADRO CON(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316303195 1066063433 /nfs/dbraw/zinc/06/34/33/1066063433.db2.gz NAQLVAHASGEHDQ-WIYYLYMNSA-N 1 0 468.627 4.289 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316315499 1066071760 /nfs/dbraw/zinc/07/17/60/1066071760.db2.gz NLDJKRVTACGHKL-FUHWJXTLSA-N 1 0 480.426 4.192 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001316317833 1066073860 /nfs/dbraw/zinc/07/38/60/1066073860.db2.gz BQLNQKMLLSDCSC-RTWAWAEBSA-N 1 0 478.682 4.084 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316320806 1066075698 /nfs/dbraw/zinc/07/56/98/1066075698.db2.gz FYTAZFBRAOZVKO-XPWALMASSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316321878 1066077104 /nfs/dbraw/zinc/07/71/04/1066077104.db2.gz NSGKVPOGNUDLOG-JOCHJYFZSA-N 1 0 487.714 4.207 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@H](C)[NH+](C)C)C[C@H]12 ZINC001316322103 1066077533 /nfs/dbraw/zinc/07/75/33/1066077533.db2.gz PGHPTVAHVAFLFD-YAJHFMINSA-N 1 0 450.052 4.035 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316322643 1066078051 /nfs/dbraw/zinc/07/80/51/1066078051.db2.gz QLQLRQYZEYKNTN-KPDCDPCYSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCC[N@H+](C)C(C)C)C[C@H]12 ZINC001316323030 1066079170 /nfs/dbraw/zinc/07/91/70/1066079170.db2.gz YNHVYOIJUAIFMF-YFNKSVMNSA-N 1 0 455.647 4.065 20 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CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316377449 1066142374 /nfs/dbraw/zinc/14/23/74/1066142374.db2.gz OFXFLMZGKHZOTJ-LPHOPBHVSA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316380307 1066148645 /nfs/dbraw/zinc/14/86/45/1066148645.db2.gz YLUJYBJJLMZPMO-OTWHNJEPSA-N 1 0 461.651 4.161 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384321 1066153369 /nfs/dbraw/zinc/15/33/69/1066153369.db2.gz STPFLDRETSLZMC-MOPGFXCFSA-N 1 0 470.712 4.486 20 0 JIADRO CS[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001316394941 1066171131 /nfs/dbraw/zinc/17/11/31/1066171131.db2.gz PKSUDGIJMJEMFU-LWYYNNOASA-N 1 0 492.734 4.111 20 0 JIADRO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316395369 1066171603 /nfs/dbraw/zinc/17/16/03/1066171603.db2.gz GUFAONWPHRDZMM-JOCHJYFZSA-N 1 0 473.735 4.046 20 0 JIADRO CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396561 1066173589 /nfs/dbraw/zinc/17/35/89/1066173589.db2.gz UNMMXFPLMMPAOI-FCHUYYIVSA-N 1 0 473.735 4.230 20 0 JIADRO CS[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)(C)C ZINC001316396352 1066173594 /nfs/dbraw/zinc/17/35/94/1066173594.db2.gz UQLKKZDQKNGEGI-JOCHJYFZSA-N 1 0 475.678 4.087 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC(O)(c3ccccc3Cl)CC2)CC[NH+](C)CC1 ZINC001316399539 1066177187 /nfs/dbraw/zinc/17/71/87/1066177187.db2.gz RZPPTWYGJKMKOS-UHFFFAOYSA-N 1 0 478.106 4.370 20 0 JIADRO CSC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001316400348 1066177654 /nfs/dbraw/zinc/17/76/54/1066177654.db2.gz CRFNTSFSDHJRGE-HXUWFJFHSA-N 1 0 491.677 4.247 20 0 JIADRO CSC1(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CC(C)(C)C)CC[NH+](C)CC1 ZINC001316404538 1066186091 /nfs/dbraw/zinc/18/60/91/1066186091.db2.gz YESMYMJDEKMMOW-UHFFFAOYSA-N 1 0 467.687 4.441 20 0 JIADRO CSC1(Cn2c(-c3ccccc3C)nnc2N2CC[C@@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316404236 1066186195 /nfs/dbraw/zinc/18/61/95/1066186195.db2.gz HUDWTPYHQSFRDX-OAQYLSRUSA-N 1 0 457.688 4.332 20 0 JIADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001316405331 1066187881 /nfs/dbraw/zinc/18/78/81/1066187881.db2.gz KDICDLRFVDKNLS-SFHVURJKSA-N 1 0 483.604 4.265 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC[NH+](C)CC1 ZINC001316409787 1066195952 /nfs/dbraw/zinc/19/59/52/1066195952.db2.gz ICQBUMJNHNIJGQ-WOJBJXKFSA-N 1 0 475.728 4.323 20 0 JIADRO CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316409908 1066196447 /nfs/dbraw/zinc/19/64/47/1066196447.db2.gz LBKHSDIEZOCVQZ-NRFANRHFSA-N 1 0 487.714 4.305 20 0 JIADRO CSC1(Cn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316410370 1066198652 /nfs/dbraw/zinc/19/86/52/1066198652.db2.gz XUBPKVQQMYOSKM-OAQYLSRUSA-N 1 0 471.715 4.285 20 0 JIADRO CSC1(Cn2c(N(C)CC(=O)Nc3cccc(Cl)c3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316411062 1066199930 /nfs/dbraw/zinc/19/99/30/1066199930.db2.gz DZJVNAHBSAJFKY-UHFFFAOYSA-N 1 0 479.094 4.131 20 0 JIADRO CSc1cc(C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316414188 1066207990 /nfs/dbraw/zinc/20/79/90/1066207990.db2.gz IWHUJHQWBQQGIF-UHFFFAOYSA-N 1 0 450.656 4.309 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316420494 1066225010 /nfs/dbraw/zinc/22/50/10/1066225010.db2.gz TUGAGYKRGSATRB-LJQANCHMSA-N 1 0 451.644 4.214 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001324830723 1066229393 /nfs/dbraw/zinc/22/93/93/1066229393.db2.gz JXRLDTDVCMLRRO-FQEVSTJZSA-N 1 0 453.612 4.464 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001316422972 1066232924 /nfs/dbraw/zinc/23/29/24/1066232924.db2.gz KURQSVAKIOBJSF-WMZOPIPTSA-N 1 0 467.481 4.098 20 0 JIADRO COc1ccc(-c2nn(CN3CCC[N@@H+]4CCC[C@H]4C3)c(=S)n2-c2ccc(OC)cc2)cc1 ZINC001324981036 1066233914 /nfs/dbraw/zinc/23/39/14/1066233914.db2.gz ZSWMQMVOYZKXTE-NRFANRHFSA-N 1 0 465.623 4.215 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001316425927 1066244020 /nfs/dbraw/zinc/24/40/20/1066244020.db2.gz FDQHLJSEEISYHE-QFIPXVFZSA-N 1 0 450.656 4.480 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316428142 1066255724 /nfs/dbraw/zinc/25/57/24/1066255724.db2.gz NGNKLKBRVYNISJ-QFZWGZQFSA-N 1 0 456.704 4.496 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001316428576 1066256569 /nfs/dbraw/zinc/25/65/69/1066256569.db2.gz UCSIAMONCXBJHF-SLFFLAALSA-N 1 0 457.692 4.214 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C(C)C)C1 ZINC001316428781 1066257227 /nfs/dbraw/zinc/25/72/27/1066257227.db2.gz AKSCCZRAOFGYJZ-UXHICEINSA-N 1 0 480.723 4.412 20 0 JIADRO Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1N1CC[NH+](CCc3ccncc3)CC1)C2 ZINC001325639368 1066258958 /nfs/dbraw/zinc/25/89/58/1066258958.db2.gz CFBXZYGCYHGGHS-SANMLTNESA-N 1 0 458.631 4.410 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001316429357 1066260784 /nfs/dbraw/zinc/26/07/84/1066260784.db2.gz XUQBNQBYHYFLCP-ZEQRLZLVSA-N 1 0 471.715 4.142 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316431021 1066268133 /nfs/dbraw/zinc/26/81/33/1066268133.db2.gz RNDQOTGGPBHCQI-ZDXQCDESSA-N 1 0 487.714 4.387 20 0 JIADRO CSCc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001316431502 1066270421 /nfs/dbraw/zinc/27/04/21/1066270421.db2.gz BTGVKOWXPJCKNL-UHFFFAOYSA-N 1 0 450.656 4.096 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316432318 1066273294 /nfs/dbraw/zinc/27/32/94/1066273294.db2.gz UYXSYMPTBCGENT-UXHICEINSA-N 1 0 461.651 4.450 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001316432922 1066276668 /nfs/dbraw/zinc/27/66/68/1066276668.db2.gz XZIYUCWNYLSJOT-QFQXNSOFSA-N 1 0 487.714 4.077 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001316433666 1066279111 /nfs/dbraw/zinc/27/91/11/1066279111.db2.gz JXPDFLBWMGXJCA-NVXWUHKLSA-N 1 0 467.481 4.099 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)Nc2cc(I)ccc2Br)CC1 ZINC001326020976 1066279840 /nfs/dbraw/zinc/27/98/40/1066279840.db2.gz IFGHEUUXNZSCQU-UHFFFAOYSA-N 1 0 466.161 4.002 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)[NH+](C)C ZINC001316436538 1066289053 /nfs/dbraw/zinc/28/90/53/1066289053.db2.gz LOWOFEFHDNSAJV-ZFWWWQNUSA-N 1 0 456.429 4.129 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cc2ccccc2F)n1CC1(SC)CC[NH+](C)CC1 ZINC001316439840 1066297137 /nfs/dbraw/zinc/29/71/37/1066297137.db2.gz QRUDIIOYCSWGHV-LJQANCHMSA-N 1 0 463.692 4.167 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3COc4ccccc4O3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492502007 1066300205 /nfs/dbraw/zinc/30/02/05/1066300205.db2.gz GGESQSKSBSLGQM-JOCHJYFZSA-N 1 0 478.641 4.434 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001316442077 1066303420 /nfs/dbraw/zinc/30/34/20/1066303420.db2.gz OCDVAZHUGQTBFO-AZUAARDMSA-N 1 0 450.052 4.183 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316442427 1066304694 /nfs/dbraw/zinc/30/46/94/1066304694.db2.gz LNQSVDKEYLMXHW-NRFANRHFSA-N 1 0 484.714 4.126 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+](C)C ZINC001316443666 1066307963 /nfs/dbraw/zinc/30/79/63/1066307963.db2.gz ZGWKSXRNCPYZND-GOEBONIOSA-N 1 0 458.459 4.446 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+](C)C ZINC001316443668 1066309004 /nfs/dbraw/zinc/30/90/04/1066309004.db2.gz ZGWKSXRNCPYZND-ZBFHGGJFSA-N 1 0 458.459 4.446 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316443923 1066309346 /nfs/dbraw/zinc/30/93/46/1066309346.db2.gz IXDBSHJVADZNHA-IRXDYDNUSA-N 1 0 483.524 4.356 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001492502779 1066310726 /nfs/dbraw/zinc/31/07/26/1066310726.db2.gz IRASFSVDDVBURJ-XMMPIXPASA-N 1 0 466.605 4.343 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001316444869 1066313227 /nfs/dbraw/zinc/31/32/27/1066313227.db2.gz KLIMMIOBQUNKCA-PKTZIBPZSA-N 1 0 493.725 4.437 20 0 JIADRO Cc1cccc(-c2nnc(N(Cc3ccco3)C[C@H]3CCCO3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492504107 1066318210 /nfs/dbraw/zinc/31/82/10/1066318210.db2.gz IVPRDEGGUOGGAS-OAQYLSRUSA-N 1 0 452.603 4.015 20 0 JIADRO CCC(C)(C)NC(=S)C(C(=O)c1cnn(-c2ccccc2)c1C)[n+]1ccc(N(C)C)cc1 ZINC001327843182 1066319284 /nfs/dbraw/zinc/31/92/84/1066319284.db2.gz OCDBROHDRZAVCL-UHFFFAOYSA-O 1 0 450.632 4.003 20 0 JIADRO Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492504782 1066322068 /nfs/dbraw/zinc/32/20/68/1066322068.db2.gz IMZRJZIMPYSADH-WOJBJXKFSA-N 1 0 454.663 4.146 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316448865 1066324619 /nfs/dbraw/zinc/32/46/19/1066324619.db2.gz FYKJRRYZQAHHTM-YYDVJCTNSA-N 1 0 490.743 4.123 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)n1 ZINC001492506714 1066328921 /nfs/dbraw/zinc/32/89/21/1066328921.db2.gz MFWHURQEIQTMQZ-OFNKIYASSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492506971 1066329360 /nfs/dbraw/zinc/32/93/60/1066329360.db2.gz VIXZGTHRTLHNOO-GOSISDBHSA-N 1 0 478.563 4.117 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2)CC1 ZINC001329594935 1066341467 /nfs/dbraw/zinc/34/14/67/1066341467.db2.gz VMBCEUNHEZQIIG-UHFFFAOYSA-N 1 0 474.561 4.156 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492510628 1066341795 /nfs/dbraw/zinc/34/17/95/1066341795.db2.gz XSRNDMASRXIJIE-IAGOWNOFSA-N 1 0 465.429 4.047 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140023 1066347067 /nfs/dbraw/zinc/34/70/67/1066347067.db2.gz IWTNDBJEBDGVFW-RBUKOAKNSA-N 1 0 457.416 4.077 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492511620 1066347164 /nfs/dbraw/zinc/34/71/64/1066347164.db2.gz DQFPQJRHMFLTLQ-NRFANRHFSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492511923 1066348847 /nfs/dbraw/zinc/34/88/47/1066348847.db2.gz ORSXKUHSIDYMQH-FCHUYYIVSA-N 1 0 497.688 4.120 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303709 1066358091 /nfs/dbraw/zinc/35/80/91/1066358091.db2.gz YSGMBMUKZBRFRI-DEOSSOPVSA-N 1 0 491.661 4.008 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc4c(cc(Br)cc4F)[nH]3)C2)ccn1 ZINC001331303101 1066358235 /nfs/dbraw/zinc/35/82/35/1066358235.db2.gz XUPVOFVOZZPFCG-KRWDZBQOSA-N 1 0 475.362 4.210 20 0 JIADRO CCOC[C@@H]1CCCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001475380154 1066361445 /nfs/dbraw/zinc/36/14/45/1066361445.db2.gz YUWWBYYYHBAUGB-KKUQBAQOSA-N 1 0 456.652 4.184 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001316470887 1066377154 /nfs/dbraw/zinc/37/71/54/1066377154.db2.gz PENNRHIMOZOAMN-MOPGFXCFSA-N 1 0 480.723 4.065 20 0 JIADRO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001316472597 1066380424 /nfs/dbraw/zinc/38/04/24/1066380424.db2.gz CTXPZRUTUXLVAP-JKSUJKDBSA-N 1 0 450.450 4.134 20 0 JIADRO CSCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001316474754 1066383507 /nfs/dbraw/zinc/38/35/07/1066383507.db2.gz JZUGLGQXVSUWBZ-UHFFFAOYSA-N 1 0 496.519 4.316 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC001492523093 1066391678 /nfs/dbraw/zinc/39/16/78/1066391678.db2.gz JWKYTRIMRHGYCP-IRLDBZIGSA-N 1 0 466.655 4.083 20 0 JIADRO C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316486357 1066406624 /nfs/dbraw/zinc/40/66/24/1066406624.db2.gz AHWQBLBAVCQFKI-QHAWAJNXSA-N 1 0 490.693 4.086 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316487823 1066412152 /nfs/dbraw/zinc/41/21/52/1066412152.db2.gz UFQZPNMADKUBBM-HXUWFJFHSA-N 1 0 483.661 4.050 20 0 JIADRO Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001492528096 1066428270 /nfs/dbraw/zinc/42/82/70/1066428270.db2.gz DBQLSSYAIFSNKA-NRFANRHFSA-N 1 0 466.605 4.281 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(C)(C)c1ccccc1F ZINC001316491961 1066428132 /nfs/dbraw/zinc/42/81/32/1066428132.db2.gz APNQMOAZBJPODZ-LJQANCHMSA-N 1 0 457.638 4.382 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1c(F)cccc1Cl ZINC001316492643 1066432173 /nfs/dbraw/zinc/43/21/73/1066432173.db2.gz PCMSJKLKSCVWQD-MRXNPFEDSA-N 1 0 450.002 4.106 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1nc(C(C)(C)C)cs1 ZINC001316492684 1066433335 /nfs/dbraw/zinc/43/33/35/1066433335.db2.gz RKSBWGJWCMDBDI-GOSISDBHSA-N 1 0 474.719 4.359 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC001316495950 1066443099 /nfs/dbraw/zinc/44/30/99/1066443099.db2.gz IPHMTJOTNXMRPJ-IYOUNJFTSA-N 1 0 479.448 4.014 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 ZINC001316495979 1066443357 /nfs/dbraw/zinc/44/33/57/1066443357.db2.gz HTMJIBOYWRQXMO-LJQANCHMSA-N 1 0 469.033 4.414 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C ZINC001316496379 1066445017 /nfs/dbraw/zinc/44/50/17/1066445017.db2.gz KTABLJLODWXRHK-FYYLOGMGSA-N 1 0 498.672 4.145 20 0 JIADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001316498550 1066454377 /nfs/dbraw/zinc/45/43/77/1066454377.db2.gz VFFGDFMMEOJAAQ-XPNTWCBSSA-N 1 0 498.672 4.144 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H](C)C1(F)F ZINC001316501954 1066463033 /nfs/dbraw/zinc/46/30/33/1066463033.db2.gz DBEXFPWTLPEVAQ-CALCHBBNSA-N 1 0 451.537 4.208 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCSc1ccccc1 ZINC001316503693 1066470651 /nfs/dbraw/zinc/47/06/51/1066470651.db2.gz CTSVPTHWPVDHSW-FQEVSTJZSA-N 1 0 457.688 4.349 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001316503661 1066470743 /nfs/dbraw/zinc/47/07/43/1066470743.db2.gz BTTUCYNQBWNLGX-OYRHEFFESA-N 1 0 456.679 4.436 20 0 JIADRO Cc1cccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492531673 1066470808 /nfs/dbraw/zinc/47/08/08/1066470808.db2.gz FTKRZDUQMLXLNZ-QFIPXVFZSA-N 1 0 497.688 4.217 20 0 JIADRO FC(F)(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001316507796 1066484414 /nfs/dbraw/zinc/48/44/14/1066484414.db2.gz BQBNAPVWWXFHHD-LJQANCHMSA-N 1 0 482.417 4.363 20 0 JIADRO FC(F)(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001316507795 1066484489 /nfs/dbraw/zinc/48/44/89/1066484489.db2.gz BQBNAPVWWXFHHD-IBGZPJMESA-N 1 0 482.417 4.363 20 0 JIADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001337621224 1066499736 /nfs/dbraw/zinc/49/97/36/1066499736.db2.gz SWADBAMLMFZGSO-DEOSSOPVSA-N 1 0 474.653 4.050 20 0 JIADRO FC(F)(F)OCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001316515126 1066508818 /nfs/dbraw/zinc/50/88/18/1066508818.db2.gz IFRBGDXGWSDZHI-UHFFFAOYSA-N 1 0 480.922 4.242 20 0 JIADRO FC(F)C(F)(F)COCCn1c(-c2cccnc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316517108 1066516668 /nfs/dbraw/zinc/51/66/68/1066516668.db2.gz UWFJUIIRSKEENZ-UHFFFAOYSA-N 1 0 498.569 4.350 20 0 JIADRO FC(F)Oc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC(F)(F)Br)c1 ZINC001316519259 1066522644 /nfs/dbraw/zinc/52/26/44/1066522644.db2.gz CGOUSTXXULIFGS-CQSZACIVSA-N 1 0 492.315 4.209 20 0 JIADRO FC(F)COCCCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316520163 1066524537 /nfs/dbraw/zinc/52/45/37/1066524537.db2.gz UYYJOTSVZXBBEC-MRXNPFEDSA-N 1 0 484.389 4.054 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCCOC(F)(F)F ZINC001316525618 1066539816 /nfs/dbraw/zinc/53/98/16/1066539816.db2.gz ICEQXQQUWGIPLZ-UHFFFAOYSA-N 1 0 497.562 4.361 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCSC(F)(F)F ZINC001316526410 1066542074 /nfs/dbraw/zinc/54/20/74/1066542074.db2.gz JIZORZFLWDGTBU-INIZCTEOSA-N 1 0 473.540 4.314 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2)n1 ZINC001338528542 1066562070 /nfs/dbraw/zinc/56/20/70/1066562070.db2.gz MOVQPYXZQFZNIY-FQEVSTJZSA-N 1 0 453.587 4.169 20 0 JIADRO Cc1cc(CN(C)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc(C)c1OCC(F)(F)F ZINC001338577203 1066564949 /nfs/dbraw/zinc/56/49/49/1066564949.db2.gz HANHGRCQFQNLFP-UHFFFAOYSA-N 1 0 478.559 4.338 20 0 JIADRO NC(=O)C[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001316548263 1066565548 /nfs/dbraw/zinc/56/55/48/1066565548.db2.gz BZOXZMNISUNVRR-LJQANCHMSA-N 1 0 491.105 4.192 20 0 JIADRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC001338635398 1066566284 /nfs/dbraw/zinc/56/62/84/1066566284.db2.gz HNAPIDGNJDLRFM-OAQYLSRUSA-N 1 0 452.352 4.169 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CCSCC(F)(F)F)CC2)c1 ZINC001492534568 1066581297 /nfs/dbraw/zinc/58/12/97/1066581297.db2.gz GTEVVSQIWPTXLS-UHFFFAOYSA-N 1 0 478.588 4.210 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@@](C)(O)CCC(C)C)CC2)c1 ZINC001492535045 1066583090 /nfs/dbraw/zinc/58/30/90/1066583090.db2.gz YLQBFUQNRUOPMY-MHZLTWQESA-N 1 0 462.642 4.158 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(-c4cccn4C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1C ZINC001492535247 1066583579 /nfs/dbraw/zinc/58/35/79/1066583579.db2.gz FYHTZKUXJZVVNM-HSZRJFAPSA-N 1 0 463.674 4.203 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492537628 1066593860 /nfs/dbraw/zinc/59/38/60/1066593860.db2.gz DHNQMMZVPAZHEJ-QZTJIDSGSA-N 1 0 469.552 4.052 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492537603 1066594467 /nfs/dbraw/zinc/59/44/67/1066594467.db2.gz CSPDYWBGDRRFFC-CYFREDJKSA-N 1 0 486.711 4.299 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1 ZINC001342539196 1066597608 /nfs/dbraw/zinc/59/76/08/1066597608.db2.gz SVZGDVSJGDPMHL-JOCHJYFZSA-N 1 0 450.535 4.128 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492538087 1066601287 /nfs/dbraw/zinc/60/12/87/1066601287.db2.gz SFUKKBLKBWWFII-XMMPIXPASA-N 1 0 479.673 4.273 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316584301 1066603773 /nfs/dbraw/zinc/60/37/73/1066603773.db2.gz DLSHFKQYKYYRNU-NRFANRHFSA-N 1 0 497.993 4.458 20 0 JIADRO OCCCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316589343 1066618103 /nfs/dbraw/zinc/61/81/03/1066618103.db2.gz YEJGCAOERXHEJZ-UHFFFAOYSA-N 1 0 482.456 4.106 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492539416 1066625690 /nfs/dbraw/zinc/62/56/90/1066625690.db2.gz CNGXZBORWAKTLN-FDFHNCONSA-N 1 0 485.673 4.057 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492540553 1066636441 /nfs/dbraw/zinc/63/64/41/1066636441.db2.gz YIZIINSFSRVSOC-XZOQPEGZSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)c1 ZINC001492541484 1066649355 /nfs/dbraw/zinc/64/93/55/1066649355.db2.gz FZHGPOZCDQEWTQ-GOTSBHOMSA-N 1 0 455.647 4.435 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001346196073 1066656537 /nfs/dbraw/zinc/65/65/37/1066656537.db2.gz MSFGBVMCEZZQQB-YLJYHZDGSA-N 1 0 456.553 4.036 20 0 JIADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001346274717 1066658905 /nfs/dbraw/zinc/65/89/05/1066658905.db2.gz XWGNHLUHVYMYBI-HOTGVXAUSA-N 1 0 494.027 4.046 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 ZINC001317742024 1066659833 /nfs/dbraw/zinc/65/98/33/1066659833.db2.gz VXYLYKZXLSMLRE-IBGZPJMESA-N 1 0 478.662 4.497 20 0 JIADRO Cc1cc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1N1CC[NH+](C)CC1 ZINC001317751350 1066666672 /nfs/dbraw/zinc/66/66/72/1066666672.db2.gz QTEUNRATCRZACQ-UHFFFAOYSA-N 1 0 484.600 4.224 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001492543710 1066668871 /nfs/dbraw/zinc/66/88/71/1066668871.db2.gz VEAYVWGHTNIDKR-XMMPIXPASA-N 1 0 469.674 4.275 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001348246812 1066730144 /nfs/dbraw/zinc/73/01/44/1066730144.db2.gz RHIMXXDHVRIEGS-ZLNRFVROSA-N 1 0 467.610 4.259 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492545233 1066732517 /nfs/dbraw/zinc/73/25/17/1066732517.db2.gz IVXDQWNRFLJMAD-URXFXBBRSA-N 1 0 455.647 4.149 20 0 JIADRO CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476131 1066748222 /nfs/dbraw/zinc/74/82/22/1066748222.db2.gz LWNKQZOIFDRCBF-GCJKJVERSA-N 1 0 463.603 4.309 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(=O)NCc4cccc(C)c4)cc3)cc2)CC1 ZINC001348581448 1066758561 /nfs/dbraw/zinc/75/85/61/1066758561.db2.gz BOWPKWZKICVGRP-UHFFFAOYSA-N 1 0 456.590 4.319 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001492546085 1066768758 /nfs/dbraw/zinc/76/87/58/1066768758.db2.gz OXUXBKYLHOQEHU-RLWLMLJZSA-N 1 0 455.647 4.027 20 0 JIADRO COc1ccc([C@@H](CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[NH+](C)C)cc1OC ZINC001317899005 1066769270 /nfs/dbraw/zinc/76/92/70/1066769270.db2.gz JZUILGPKYHZKCS-HXUWFJFHSA-N 1 0 452.555 4.037 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001317899218 1066769808 /nfs/dbraw/zinc/76/98/08/1066769808.db2.gz NLXVFOBOWWHNSY-HXUWFJFHSA-N 1 0 469.611 4.164 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001317911290 1066781087 /nfs/dbraw/zinc/78/10/87/1066781087.db2.gz BOVDQKOMIXUXBL-UHFFFAOYSA-N 1 0 470.422 4.351 20 0 JIADRO C[C@@H](OC(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001317975411 1066827166 /nfs/dbraw/zinc/82/71/66/1066827166.db2.gz ULVUFMWDXDRUBN-MRXNPFEDSA-N 1 0 450.913 4.144 20 0 JIADRO COC(=O)c1ccc(-c2csc(NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001349319049 1066830304 /nfs/dbraw/zinc/83/03/04/1066830304.db2.gz VRMWQCKUZIHAJG-AWNIVKPZSA-N 1 0 451.548 4.189 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1nc(Br)c2ccccn21 ZINC001349391397 1066836505 /nfs/dbraw/zinc/83/65/05/1066836505.db2.gz GLWTVFWOOGEYRI-UHFFFAOYSA-N 1 0 455.360 4.041 20 0 JIADRO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001318000442 1066842809 /nfs/dbraw/zinc/84/28/09/1066842809.db2.gz GTHLZWKFTMQVKM-AHWVRZQESA-N 1 0 479.621 4.131 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001318030220 1066860206 /nfs/dbraw/zinc/86/02/06/1066860206.db2.gz FKUCZLYHPNNOLD-UHFFFAOYSA-N 1 0 472.515 4.273 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)C1 ZINC001318047163 1066870130 /nfs/dbraw/zinc/87/01/30/1066870130.db2.gz XGCWSMPDMMLKNU-QFIPXVFZSA-N 1 0 493.677 4.403 20 0 JIADRO Cc1sc(-n2cccc2)c(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1C ZINC001318077790 1066888155 /nfs/dbraw/zinc/88/81/55/1066888155.db2.gz MLVGTMNYOUJUJD-QFIPXVFZSA-N 1 0 463.651 4.225 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC001349910363 1066894998 /nfs/dbraw/zinc/89/49/98/1066894998.db2.gz JURKRBLXFUGEBB-UHFFFAOYSA-N 1 0 453.534 4.429 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)CC2)cc1 ZINC001318090892 1066895138 /nfs/dbraw/zinc/89/51/38/1066895138.db2.gz FCEODZDZXKYSRK-UHFFFAOYSA-N 1 0 457.578 4.060 20 0 JIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318139796 1066919181 /nfs/dbraw/zinc/91/91/81/1066919181.db2.gz DPNXFONBLVJAMF-SFTDATJTSA-N 1 0 496.652 4.320 20 0 JIADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1csc(-c2ccco2)n1 ZINC001318159960 1066930966 /nfs/dbraw/zinc/93/09/66/1066930966.db2.gz DWOKFMBBVCRZPV-UHFFFAOYSA-N 1 0 459.575 4.415 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492547547 1066931099 /nfs/dbraw/zinc/93/10/99/1066931099.db2.gz BMNZTAFPJKPEII-ZCYQVOJMSA-N 1 0 469.674 4.395 20 0 JIADRO O=C(CSCc1cccs1)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001318161949 1066931762 /nfs/dbraw/zinc/93/17/62/1066931762.db2.gz XKSHACVQAUSEGJ-UHFFFAOYSA-N 1 0 452.649 4.380 20 0 JIADRO NS(=O)(=O)c1ccc(CNC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cc1 ZINC001318167119 1066934514 /nfs/dbraw/zinc/93/45/14/1066934514.db2.gz GDSJGPUHJKOZOF-UHFFFAOYSA-O 1 0 462.523 4.132 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001492547750 1066935382 /nfs/dbraw/zinc/93/53/82/1066935382.db2.gz IMFVZSCPBDKTLN-FQEVSTJZSA-N 1 0 481.563 4.055 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318173183 1066938935 /nfs/dbraw/zinc/93/89/35/1066938935.db2.gz LQBGAELCWKBIAO-SSEPRJSISA-N 1 0 463.622 4.336 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC001318173831 1066939550 /nfs/dbraw/zinc/93/95/50/1066939550.db2.gz RWZZGPPWYWRXRP-QGZVFWFLSA-N 1 0 477.577 4.481 20 0 JIADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCCc3c2cccc3S(C)(=O)=O)c1=S ZINC001318184650 1066945345 /nfs/dbraw/zinc/94/53/45/1066945345.db2.gz JQOSGWDLXCRGBF-GOSISDBHSA-N 1 0 465.689 4.041 20 0 JIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1OCC ZINC001318207699 1066958830 /nfs/dbraw/zinc/95/88/30/1066958830.db2.gz UMRZGSNHCSIESZ-UHFFFAOYSA-N 1 0 453.583 4.146 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2Cl)c1 ZINC001350500304 1066965427 /nfs/dbraw/zinc/96/54/27/1066965427.db2.gz DASDYPHRJLUMIG-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Br)c(I)c2)CC1 ZINC001318226920 1066971849 /nfs/dbraw/zinc/97/18/49/1066971849.db2.gz WIQNDBQWDHZSLO-UHFFFAOYSA-N 1 0 466.161 4.002 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC001318272636 1066995693 /nfs/dbraw/zinc/99/56/93/1066995693.db2.gz XRGCCECGGVTFEV-UHFFFAOYSA-N 1 0 458.606 4.155 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC001318279022 1066998879 /nfs/dbraw/zinc/99/88/79/1066998879.db2.gz QHLLXHJCYDYWMB-UHFFFAOYSA-N 1 0 488.579 4.435 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC001350781397 1067000802 /nfs/dbraw/zinc/00/08/02/1067000802.db2.gz ARNXSTLKTOBZOZ-UKTHLTGXSA-N 1 0 451.954 4.142 20 0 JIADRO CN(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318291931 1067005256 /nfs/dbraw/zinc/00/52/56/1067005256.db2.gz COVMINXPTRHDQR-UHFFFAOYSA-N 1 0 496.608 4.224 20 0 JIADRO C[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311221 1067011462 /nfs/dbraw/zinc/01/14/62/1067011462.db2.gz OAXGIIAVLNLKAV-GOSISDBHSA-N 1 0 465.573 4.369 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)c1cccc(OC)c1 ZINC001318338861 1067022666 /nfs/dbraw/zinc/02/26/66/1067022666.db2.gz PJFMTYJUYRRZQN-RPBOFIJWSA-N 1 0 464.610 4.236 20 0 JIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2C(=O)COc3ccccc32)c1 ZINC001318341053 1067023967 /nfs/dbraw/zinc/02/39/67/1067023967.db2.gz YZXQNXNOWKGEQX-UHFFFAOYSA-N 1 0 484.556 4.072 20 0 JIADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC001350956503 1067024446 /nfs/dbraw/zinc/02/44/46/1067024446.db2.gz ZOESFVBIZZCHQT-HXUWFJFHSA-N 1 0 456.384 4.177 20 0 JIADRO C[C@]1(c2cccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccs3)c2)NC(=O)NC1=O ZINC001318347052 1067026550 /nfs/dbraw/zinc/02/65/50/1067026550.db2.gz UWZYTEGFCGAZFC-AREMUKBSSA-N 1 0 471.586 4.004 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1 ZINC001318362014 1067030999 /nfs/dbraw/zinc/03/09/99/1067030999.db2.gz DYELQKLMONLVNI-UHFFFAOYSA-N 1 0 482.021 4.251 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC001318363418 1067031708 /nfs/dbraw/zinc/03/17/08/1067031708.db2.gz PGYWWNXKUJAGLV-UHFFFAOYSA-N 1 0 464.031 4.396 20 0 JIADRO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC001318363158 1067031744 /nfs/dbraw/zinc/03/17/44/1067031744.db2.gz OIABJMWWHJJTQO-UHFFFAOYSA-N 1 0 464.404 4.443 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300689049 1067034363 /nfs/dbraw/zinc/03/43/63/1067034363.db2.gz XPOUMMXIPMJVRM-FGTMMUONSA-N 1 0 459.591 4.269 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)[NH+]2CCCCC2)cc1 ZINC001354678167 1067037395 /nfs/dbraw/zinc/03/73/95/1067037395.db2.gz OBYCBGVTJKHYGI-GOSISDBHSA-N 1 0 450.505 4.204 20 0 JIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354680009 1067038944 /nfs/dbraw/zinc/03/89/44/1067038944.db2.gz CRDLJNUDYMFLCV-GOSISDBHSA-N 1 0 451.546 4.289 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cc3nccnc3cc1F)C(C)(C)[NH2+]C(C)(C)C2 ZINC001351067337 1067039964 /nfs/dbraw/zinc/03/99/64/1067039964.db2.gz GDAMDKRNFJXVTK-UHFFFAOYSA-N 1 0 456.543 4.419 20 0 JIADRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2F)CC1 ZINC001318419520 1067041355 /nfs/dbraw/zinc/04/13/55/1067041355.db2.gz FIGQKYUEFLQNLO-UHFFFAOYSA-N 1 0 469.420 4.262 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c2)CC1 ZINC001318457401 1067044350 /nfs/dbraw/zinc/04/43/50/1067044350.db2.gz HGJFSWNVKONESY-UHFFFAOYSA-N 1 0 450.583 4.187 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001318479728 1067047808 /nfs/dbraw/zinc/04/78/08/1067047808.db2.gz VEFJPRFOLKXSLL-XXBNENTESA-N 1 0 485.650 4.400 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001351117140 1067048311 /nfs/dbraw/zinc/04/83/11/1067048311.db2.gz JFDROYWBKSPURP-FQEVSTJZSA-N 1 0 487.526 4.420 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCCc3coc(-c4ccccc4)n3)CC2)c1C ZINC001318491524 1067048932 /nfs/dbraw/zinc/04/89/32/1067048932.db2.gz ZSSPTOMQQXUDLX-UHFFFAOYSA-N 1 0 477.609 4.211 20 0 JIADRO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318493953 1067048979 /nfs/dbraw/zinc/04/89/79/1067048979.db2.gz HHYLYMXIKSTKBT-UHFFFAOYSA-N 1 0 468.605 4.361 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC001318501280 1067049252 /nfs/dbraw/zinc/04/92/52/1067049252.db2.gz ALRNSQZIQJEURI-UHFFFAOYSA-N 1 0 462.981 4.274 20 0 JIADRO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318502091 1067049388 /nfs/dbraw/zinc/04/93/88/1067049388.db2.gz IIPVLBRQTXBDKQ-UHFFFAOYSA-N 1 0 481.600 4.230 20 0 JIADRO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001354714561 1067057804 /nfs/dbraw/zinc/05/78/04/1067057804.db2.gz RCOJXZXNDHEHII-UHFFFAOYSA-N 1 0 457.500 4.048 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731393 1067066797 /nfs/dbraw/zinc/06/67/97/1067066797.db2.gz QXGRATMLBXAEAV-LAUBAEHRSA-N 1 0 453.384 4.275 20 0 JIADRO Cc1cccc(C)c1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001492486949 1067081884 /nfs/dbraw/zinc/08/18/84/1067081884.db2.gz UPVQLTGATMVVGY-HSZRJFAPSA-N 1 0 453.675 4.275 20 0 JIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001320352644 1067089549 /nfs/dbraw/zinc/08/95/49/1067089549.db2.gz UCOBXEAWLHWCIA-UHFFFAOYSA-N 1 0 463.326 4.117 20 0 JIADRO CCn1c(SCC(=O)NC[C@H]2CCC[N@H+](CC)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001320749233 1067092232 /nfs/dbraw/zinc/09/22/32/1067092232.db2.gz LXVHJYYXONTTQJ-CQSZACIVSA-N 1 0 456.443 4.212 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001354775508 1067092344 /nfs/dbraw/zinc/09/23/44/1067092344.db2.gz GDVNRBHOOKDYRP-QHCPKHFHSA-N 1 0 452.599 4.423 20 0 JIADRO Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC001321214902 1067102532 /nfs/dbraw/zinc/10/25/32/1067102532.db2.gz OHFRZJWGPNQNGV-UHFFFAOYSA-N 1 0 472.427 4.196 20 0 JIADRO COC1CCC(CCn2c(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)CC1 ZINC001300722294 1067118917 /nfs/dbraw/zinc/11/89/17/1067118917.db2.gz WRQIPHGOEDLWQZ-KFGJODCASA-N 1 0 474.738 4.166 20 0 JIADRO C[NH+]1CCN(C[C@H](NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c2ccccc2)CC1 ZINC001321485379 1067144077 /nfs/dbraw/zinc/14/40/77/1067144077.db2.gz HMWMFSBDCFELJP-SANMLTNESA-N 1 0 480.616 4.016 20 0 JIADRO CCN(C(=S)Nc1c(F)cc(Br)cc1Br)C1CC[NH+](C)CC1 ZINC001200799801 1067188996 /nfs/dbraw/zinc/18/89/96/1067188996.db2.gz NOESDPBOQQSWCV-UHFFFAOYSA-N 1 0 453.219 4.464 20 0 JIADRO CC[NH+]1CCC(N(C)C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200800651 1067196437 /nfs/dbraw/zinc/19/64/37/1067196437.db2.gz XGBWWVJEOBQZPW-UHFFFAOYSA-N 1 0 453.219 4.464 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC([NH+]2CCCCC2)C1 ZINC001200800979 1067198756 /nfs/dbraw/zinc/19/87/56/1067198756.db2.gz CFAHGXMLCMGVLK-UHFFFAOYSA-N 1 0 451.203 4.218 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001351780061 1067204024 /nfs/dbraw/zinc/20/40/24/1067204024.db2.gz IYOKRBDREYIHBG-OALUTQOASA-N 1 0 457.590 4.041 20 0 JIADRO C[N@@H+]1CC[C@@]2(CCN(C(=S)Nc3c(F)cc(Br)cc3Br)C2)C1 ZINC001200802145 1067207226 /nfs/dbraw/zinc/20/72/26/1067207226.db2.gz RWZMBFQBRQNYDX-OAHLLOKOSA-N 1 0 451.203 4.075 20 0 JIADRO Cc1sc(=O)n(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1-c1ccccc1 ZINC001351788677 1067207291 /nfs/dbraw/zinc/20/72/91/1067207291.db2.gz JXQMXYUZKJVKIR-UHFFFAOYSA-N 1 0 453.633 4.115 20 0 JIADRO CCCc1nc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nn1-c1ccccc1F ZINC001351790010 1067207843 /nfs/dbraw/zinc/20/78/43/1067207843.db2.gz WGHPZCGRUDLCGZ-UHFFFAOYSA-N 1 0 453.587 4.203 20 0 JIADRO COc1cc(-c2noc(CCC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)n2)cc(Cl)c1OC ZINC001321844792 1067218615 /nfs/dbraw/zinc/21/86/15/1067218615.db2.gz LJKYUOSCPHVNDD-UHFFFAOYSA-N 1 0 499.011 4.383 20 0 JIADRO CCOc1ccc([C@]2(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CC2(Cl)Cl)cc1 ZINC001354865706 1067218946 /nfs/dbraw/zinc/21/89/46/1067218946.db2.gz FEYJIVTWINMSCL-NRFANRHFSA-N 1 0 457.467 4.379 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)CC2)cc1 ZINC001322095709 1067249053 /nfs/dbraw/zinc/24/90/53/1067249053.db2.gz BGMYKDPEUMIWHL-UHFFFAOYSA-N 1 0 478.643 4.229 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492550022 1067253241 /nfs/dbraw/zinc/25/32/41/1067253241.db2.gz VVZKFMFGLTVKSQ-YADHBBJMSA-N 1 0 457.688 4.475 20 0 JIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001352019085 1067269994 /nfs/dbraw/zinc/26/99/94/1067269994.db2.gz MKSIEGFJYRNHFT-BEFAXECRSA-N 1 0 450.366 4.283 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1Cl ZINC001322293346 1067271179 /nfs/dbraw/zinc/27/11/79/1067271179.db2.gz PUQXYUNKDPLKTQ-NFBKMPQASA-N 1 0 457.018 4.327 20 0 JIADRO Cc1cccc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001492550454 1067278000 /nfs/dbraw/zinc/27/80/00/1067278000.db2.gz IYEBTJGMARCDJN-UHFFFAOYSA-N 1 0 487.446 4.344 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNc3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)c2)CC1 ZINC001322422592 1067289658 /nfs/dbraw/zinc/28/96/58/1067289658.db2.gz DRDXNSVRVJMBRY-UHFFFAOYSA-N 1 0 485.661 4.387 20 0 JIADRO COc1cc([C@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OCC(C)C ZINC001322424549 1067290248 /nfs/dbraw/zinc/29/02/48/1067290248.db2.gz WAJVFEWKPZSNJQ-NRFANRHFSA-N 1 0 468.642 4.038 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001300759397 1067294667 /nfs/dbraw/zinc/29/46/67/1067294667.db2.gz IOGXFCCFXQJGGC-GHTZIAJQSA-N 1 0 450.002 4.473 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnc(Cl)c(Br)c1 ZINC001352131888 1067295829 /nfs/dbraw/zinc/29/58/29/1067295829.db2.gz GCIITSIYGVQXMG-UHFFFAOYSA-N 1 0 450.768 4.441 20 0 JIADRO O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001322509004 1067300220 /nfs/dbraw/zinc/30/02/20/1067300220.db2.gz LDFODCHALBGEGC-UHFFFAOYSA-N 1 0 454.423 4.421 20 0 JIADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001322564388 1067302401 /nfs/dbraw/zinc/30/24/01/1067302401.db2.gz BDLIYWXPOSEPRC-IBGZPJMESA-N 1 0 475.680 4.050 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CC2)no1 ZINC000500631346 1067302830 /nfs/dbraw/zinc/30/28/30/1067302830.db2.gz UCKGGLVOCJVWMQ-OALUTQOASA-N 1 0 467.614 4.021 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001300764846 1067305814 /nfs/dbraw/zinc/30/58/14/1067305814.db2.gz WVBUXUBVALKYID-PKOBYXMFSA-N 1 0 450.002 4.473 20 0 JIADRO C[C@@H]1C(=O)Nc2cc(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)ccc2N1C ZINC001354967168 1067309609 /nfs/dbraw/zinc/30/96/09/1067309609.db2.gz XTDILZHIOFMMTL-OAQYLSRUSA-N 1 0 456.590 4.286 20 0 JIADRO CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001352227864 1067313477 /nfs/dbraw/zinc/31/34/77/1067313477.db2.gz QROJUDPZTIZSPO-DEOSSOPVSA-N 1 0 451.611 4.346 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)C1 ZINC001352236082 1067314457 /nfs/dbraw/zinc/31/44/57/1067314457.db2.gz BFIAIXJPCNPYTD-HXUWFJFHSA-N 1 0 452.986 4.411 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)C[C@H](C)O1 ZINC001323180142 1067315708 /nfs/dbraw/zinc/31/57/08/1067315708.db2.gz UJVSCHCZMWSOQT-MZKRTTBSSA-N 1 0 461.610 4.261 20 0 JIADRO C[N@H+](CCCNC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)Cc1ccccc1 ZINC001323295737 1067317298 /nfs/dbraw/zinc/31/72/98/1067317298.db2.gz RWRMVKXDBNKPHQ-UHFFFAOYSA-N 1 0 455.555 4.302 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC001323297477 1067317637 /nfs/dbraw/zinc/31/76/37/1067317637.db2.gz OFENTTZUJRRXTL-SANMLTNESA-N 1 0 473.621 4.235 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001300771704 1067320060 /nfs/dbraw/zinc/32/00/60/1067320060.db2.gz DMUVOODXIXHLIA-JOCHJYFZSA-N 1 0 485.673 4.015 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352288045 1067325358 /nfs/dbraw/zinc/32/53/58/1067325358.db2.gz KGRDMYSUXAHFQI-YADHBBJMSA-N 1 0 455.624 4.296 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001300782441 1067339446 /nfs/dbraw/zinc/33/94/46/1067339446.db2.gz MPIMHUGDZDNSGI-UHFFFAOYSA-N 1 0 474.600 4.418 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001300782630 1067339989 /nfs/dbraw/zinc/33/99/89/1067339989.db2.gz OVTDOACBWRPURU-IBGZPJMESA-N 1 0 480.028 4.242 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300001787 1067341208 /nfs/dbraw/zinc/34/12/08/1067341208.db2.gz XWEPAWKDIUXPLF-LJQANCHMSA-N 1 0 465.646 4.062 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001300784343 1067343647 /nfs/dbraw/zinc/34/36/47/1067343647.db2.gz JJAHHPCAZSBTAE-AONNBLCTSA-N 1 0 475.703 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001300784736 1067344485 /nfs/dbraw/zinc/34/44/85/1067344485.db2.gz DUMHUVLIAXCFLW-FQEVSTJZSA-N 1 0 480.632 4.490 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001300785391 1067346838 /nfs/dbraw/zinc/34/68/38/1067346838.db2.gz MIFXOAOBSYLBIW-UHFFFAOYSA-N 1 0 482.673 4.127 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001300785733 1067347612 /nfs/dbraw/zinc/34/76/12/1067347612.db2.gz MYXMOXVTTLQEQK-UHFFFAOYSA-N 1 0 497.087 4.486 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001300786300 1067348482 /nfs/dbraw/zinc/34/84/82/1067348482.db2.gz LTKQIDJPFBBNHC-UHFFFAOYSA-N 1 0 499.700 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001300786503 1067348992 /nfs/dbraw/zinc/34/89/92/1067348992.db2.gz NJQQMDOGIVYLCG-UHFFFAOYSA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001300787344 1067350614 /nfs/dbraw/zinc/35/06/14/1067350614.db2.gz SVLWZMGKOBLKBD-UHFFFAOYSA-N 1 0 467.614 4.284 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001300787310 1067350796 /nfs/dbraw/zinc/35/07/96/1067350796.db2.gz SKLSXIAAVAGKLZ-QFIPXVFZSA-N 1 0 461.695 4.152 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300004942 1067351089 /nfs/dbraw/zinc/35/10/89/1067351089.db2.gz AKWIRCXIJYKJJF-HDYDNRTBSA-N 1 0 459.610 4.267 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cc1 ZINC001355053404 1067363208 /nfs/dbraw/zinc/36/32/08/1067363208.db2.gz AYXUGBNGHYXWNV-MRXNPFEDSA-N 1 0 451.489 4.183 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001300792905 1067363996 /nfs/dbraw/zinc/36/39/96/1067363996.db2.gz BFOOETHJHUZMDG-QZTJIDSGSA-N 1 0 493.475 4.261 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001300793273 1067365088 /nfs/dbraw/zinc/36/50/88/1067365088.db2.gz FILGYJHYMRMDBR-PXNSSMCTSA-N 1 0 479.467 4.163 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492555213 1067375258 /nfs/dbraw/zinc/37/52/58/1067375258.db2.gz GMAJAFXKGMORQM-FGZHOGPDSA-N 1 0 452.647 4.027 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492581004 1067378823 /nfs/dbraw/zinc/37/88/23/1067378823.db2.gz TYZFPNLELOJZTM-AKFKNWHVSA-N 1 0 496.700 4.401 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001355219737 1067390769 /nfs/dbraw/zinc/39/07/69/1067390769.db2.gz TWBTVCNHJWCINM-MDWZMJQESA-N 1 0 457.615 4.031 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(Br)cnc2C2CC2)c1 ZINC001355235467 1067393302 /nfs/dbraw/zinc/39/33/02/1067393302.db2.gz JGJKUECABUBXIC-UHFFFAOYSA-N 1 0 459.388 4.045 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC001352449963 1067400946 /nfs/dbraw/zinc/40/09/46/1067400946.db2.gz LFIZIAGAKUAOFZ-WOJBJXKFSA-N 1 0 472.427 4.394 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300028717 1067407647 /nfs/dbraw/zinc/40/76/47/1067407647.db2.gz BFGSBFCELPMNJO-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N@H+](C)Cc1ccccc1 ZINC001355310903 1067413551 /nfs/dbraw/zinc/41/35/51/1067413551.db2.gz QSVSNGVGWBEVKB-MRXNPFEDSA-N 1 0 459.363 4.414 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300031769 1067423189 /nfs/dbraw/zinc/42/31/89/1067423189.db2.gz BBJMOUSLYAKCNP-KIVTUJJHSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300032483 1067428009 /nfs/dbraw/zinc/42/80/09/1067428009.db2.gz GKRUDGDUAHUKGE-YZUZCNPQSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001300033919 1067435607 /nfs/dbraw/zinc/43/56/07/1067435607.db2.gz OHFXJAYTMNJKKF-UUOWRZLLSA-N 1 0 495.590 4.215 20 0 JIADRO CC(C)[NH+]1CCC(C(=O)Nc2cc(Br)ccc2I)CC1 ZINC001355428601 1067462877 /nfs/dbraw/zinc/46/28/77/1067462877.db2.gz FVIXKUGYFMFWKR-UHFFFAOYSA-N 1 0 451.146 4.113 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(SC)CC2)cc1OC ZINC001300040600 1067463264 /nfs/dbraw/zinc/46/32/64/1067463264.db2.gz WEYVJIYJICZBDK-UHFFFAOYSA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300041554 1067472533 /nfs/dbraw/zinc/47/25/33/1067472533.db2.gz IVBLSCGUBMNKKM-SFHVURJKSA-N 1 0 463.573 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300041970 1067476398 /nfs/dbraw/zinc/47/63/98/1067476398.db2.gz XESRYSVRZBCNMX-HXUWFJFHSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001300044731 1067490485 /nfs/dbraw/zinc/49/04/85/1067490485.db2.gz UTNMWVXNYHZXNV-JOCHJYFZSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2csc([C@H](C)OC)n2)cc1 ZINC001300044914 1067491124 /nfs/dbraw/zinc/49/11/24/1067491124.db2.gz XUZSJBZUWHCMKM-KRWDZBQOSA-N 1 0 470.643 4.133 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2csc([C@@H](C)OC)n2)cc1 ZINC001300044915 1067491430 /nfs/dbraw/zinc/49/14/30/1067491430.db2.gz XUZSJBZUWHCMKM-QGZVFWFLSA-N 1 0 470.643 4.133 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300045368 1067491862 /nfs/dbraw/zinc/49/18/62/1067491862.db2.gz DBNJSPDUURURCK-HSZRJFAPSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300045436 1067492607 /nfs/dbraw/zinc/49/26/07/1067492607.db2.gz FYAATZPVXXICHM-GOSISDBHSA-N 1 0 481.563 4.112 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300045714 1067495117 /nfs/dbraw/zinc/49/51/17/1067495117.db2.gz OVGIXNGHMCTVDZ-NRFANRHFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@]4(C3)CCCOC4)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300046934 1067498770 /nfs/dbraw/zinc/49/87/70/1067498770.db2.gz JCDSWLAQAHGXTC-HSZRJFAPSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001300048978 1067504531 /nfs/dbraw/zinc/50/45/31/1067504531.db2.gz GIUQVPHLFQUTIW-SFHVURJKSA-N 1 0 467.536 4.227 20 0 JIADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001300050538 1067509802 /nfs/dbraw/zinc/50/98/02/1067509802.db2.gz WVKBPBKNXZKGLP-OAQYLSRUSA-N 1 0 459.656 4.201 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300051397 1067515161 /nfs/dbraw/zinc/51/51/61/1067515161.db2.gz ZQGGPXBUBNKWDZ-QGZVFWFLSA-N 1 0 495.640 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300052112 1067520428 /nfs/dbraw/zinc/52/04/28/1067520428.db2.gz VKAQGEMCFALVFM-SANMLTNESA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300052408 1067522591 /nfs/dbraw/zinc/52/25/91/1067522591.db2.gz XAIIWRPZBZNZMB-YIXXDRMTSA-N 1 0 485.673 4.478 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492582744 1067530669 /nfs/dbraw/zinc/53/06/69/1067530669.db2.gz RSKPPEWSIYKAMU-FQEVSTJZSA-N 1 0 479.591 4.191 20 0 JIADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCc2nncn2CC1)[NH+](C)C ZINC001355670401 1067547668 /nfs/dbraw/zinc/54/76/68/1067547668.db2.gz SVZWVSFCYVTEKV-YLJYHZDGSA-N 1 0 452.430 4.152 20 0 JIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC001200078213 1067548673 /nfs/dbraw/zinc/54/86/73/1067548673.db2.gz WEUJVHAXUXFGCT-IBGZPJMESA-N 1 0 454.290 4.483 20 0 JIADRO CCN(CC)c1nc2sc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)cc2s1 ZINC001355690282 1067552202 /nfs/dbraw/zinc/55/22/02/1067552202.db2.gz GKRDRTKEWLJPCC-UHFFFAOYSA-N 1 0 458.657 4.382 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2occc2C)c(OC)c1 ZINC001300061873 1067567145 /nfs/dbraw/zinc/56/71/45/1067567145.db2.gz QJOWWHJEVJFARV-UHFFFAOYSA-N 1 0 453.587 4.223 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300063491 1067572795 /nfs/dbraw/zinc/57/27/95/1067572795.db2.gz SZFCZZOLQKFGJO-PCCBWWKXSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](SC)C(C)(C)C)cc1 ZINC001300064721 1067576586 /nfs/dbraw/zinc/57/65/86/1067576586.db2.gz FJFIRPHVHQZEIK-OFNKIYASSA-N 1 0 487.714 4.280 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC001355792610 1067581938 /nfs/dbraw/zinc/58/19/38/1067581938.db2.gz KWGIKQFDURZAFL-FQEVSTJZSA-N 1 0 454.489 4.431 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(SC)CCC2)cc1OC ZINC001300067043 1067582201 /nfs/dbraw/zinc/58/22/01/1067582201.db2.gz JBCLJLQSMGCLDA-UHFFFAOYSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1OC ZINC001300067083 1067582513 /nfs/dbraw/zinc/58/25/13/1067582513.db2.gz KMBRGTLZFAAZRT-URXFXBBRSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cc(C(C)(C)C)no2)c(OC)c1 ZINC001300067253 1067582987 /nfs/dbraw/zinc/58/29/87/1067582987.db2.gz MYZTUHIRVIIIFN-UHFFFAOYSA-N 1 0 482.629 4.217 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(C)s2)c(OC)c1 ZINC001300067530 1067583512 /nfs/dbraw/zinc/58/35/12/1067583512.db2.gz PXARDNZTXRTXCH-UHFFFAOYSA-N 1 0 455.628 4.301 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](SC)C(C)(C)C)c(OC)c1 ZINC001300067882 1067584464 /nfs/dbraw/zinc/58/44/64/1067584464.db2.gz BCSQJMWZKBXALP-NRFANRHFSA-N 1 0 461.676 4.270 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[C@@H]2CCCCO2)cc1Br ZINC001300069214 1067588833 /nfs/dbraw/zinc/58/88/33/1067588833.db2.gz ZEQKUOLVLXRHTL-IBGZPJMESA-N 1 0 492.462 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c(OC)c1 ZINC001300078677 1067613029 /nfs/dbraw/zinc/61/30/29/1067613029.db2.gz KHDVOCZBGGXSAC-BCHFMIIMSA-N 1 0 471.646 4.088 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2c(F)cc(OC)cc2F)cc1Cl ZINC001355949929 1067615197 /nfs/dbraw/zinc/61/51/97/1067615197.db2.gz FNZPHSWVURVNFD-UHFFFAOYSA-N 1 0 453.917 4.341 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)cc1Cl ZINC001355950066 1067615510 /nfs/dbraw/zinc/61/55/10/1067615510.db2.gz GYJYRMATKAUOMB-UHFFFAOYSA-N 1 0 459.949 4.355 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300080677 1067617364 /nfs/dbraw/zinc/61/73/64/1067617364.db2.gz XLUASDOLMMBWAE-PMACEKPBSA-N 1 0 455.647 4.468 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cc(F)ccc3Br)cc2F)CC1 ZINC001352677442 1067620238 /nfs/dbraw/zinc/62/02/38/1067620238.db2.gz INEXCOWUSSOJOH-UHFFFAOYSA-N 1 0 452.343 4.439 20 0 JIADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001355978012 1067623646 /nfs/dbraw/zinc/62/36/46/1067623646.db2.gz KRZBITDAODZEEW-IBGZPJMESA-N 1 0 453.366 4.477 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300084815 1067625426 /nfs/dbraw/zinc/62/54/26/1067625426.db2.gz CTAMCMJNGZHPOE-WMZHIEFXSA-N 1 0 485.654 4.436 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300084989 1067625939 /nfs/dbraw/zinc/62/59/39/1067625939.db2.gz ILCWEVYDPQTHIJ-IBGZPJMESA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300087904 1067634675 /nfs/dbraw/zinc/63/46/75/1067634675.db2.gz KCBQRMKRPWLXPL-IAGOWNOFSA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001300088287 1067636340 /nfs/dbraw/zinc/63/63/40/1067636340.db2.gz DZKRWQQCIKETSB-SFHVURJKSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001300088882 1067639262 /nfs/dbraw/zinc/63/92/62/1067639262.db2.gz NCLFAKPPCHRURP-LJQANCHMSA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CC[NH+]2CCCCC2)cc1Br ZINC001300090817 1067647837 /nfs/dbraw/zinc/64/78/37/1067647837.db2.gz XWXWQGRBEOAIDE-INIZCTEOSA-N 1 0 480.476 4.144 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300094051 1067655445 /nfs/dbraw/zinc/65/54/45/1067655445.db2.gz DDAACPQCIZUNBA-RDPSFJRHSA-N 1 0 459.660 4.198 20 0 JIADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356091314 1067656735 /nfs/dbraw/zinc/65/67/35/1067656735.db2.gz MQCHXYXGJGWKKF-NRFANRHFSA-N 1 0 456.428 4.052 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001300095525 1067658595 /nfs/dbraw/zinc/65/85/95/1067658595.db2.gz WHNVPLGCHBFVOZ-ZEQKJWHPSA-N 1 0 471.646 4.009 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300098558 1067666674 /nfs/dbraw/zinc/66/66/74/1067666674.db2.gz LSXCIGLTYKEKNV-LGVFNWMJSA-N 1 0 455.647 4.326 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC001356203750 1067690971 /nfs/dbraw/zinc/69/09/71/1067690971.db2.gz NRWIIJIIZXCXHE-WRALFONMSA-N 1 0 457.659 4.341 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)C3([C@@H]4CCCCO4)CCOCC3)cc2Cl)CC1 ZINC001356209180 1067691678 /nfs/dbraw/zinc/69/16/78/1067691678.db2.gz WVPZPGNTZIDVLN-QFIPXVFZSA-N 1 0 450.023 4.176 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)s3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001300111684 1067712624 /nfs/dbraw/zinc/71/26/24/1067712624.db2.gz NZVBWJXAUORZPV-UHFFFAOYSA-N 1 0 496.725 4.104 20 0 JIADRO COc1nc(C)c(Br)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001356283971 1067716384 /nfs/dbraw/zinc/71/63/84/1067716384.db2.gz VUEGMRYBNJTLCD-UHFFFAOYSA-N 1 0 450.402 4.271 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300112904 1067716702 /nfs/dbraw/zinc/71/67/02/1067716702.db2.gz FZYXAUUMQAKKSB-FCHUYYIVSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300113197 1067718258 /nfs/dbraw/zinc/71/82/58/1067718258.db2.gz CGHZJCKCOKYXDB-ZEQRLZLVSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300113962 1067720219 /nfs/dbraw/zinc/72/02/19/1067720219.db2.gz NXEYJBMVZZTYSQ-WMZHIEFXSA-N 1 0 483.682 4.440 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300114727 1067722680 /nfs/dbraw/zinc/72/26/80/1067722680.db2.gz QTCHOGIZUXXCMG-UHFFFAOYSA-N 1 0 457.638 4.378 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300116091 1067726067 /nfs/dbraw/zinc/72/60/67/1067726067.db2.gz CUYGPYMIYXNBKZ-ZLNRFVROSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300117586 1067728454 /nfs/dbraw/zinc/72/84/54/1067728454.db2.gz MDHTZWJJPAELQX-DHIUTWEWSA-N 1 0 483.701 4.444 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC001356339642 1067729251 /nfs/dbraw/zinc/72/92/51/1067729251.db2.gz NAHRTCFLISOCBC-IZZNHLLZSA-N 1 0 457.574 4.104 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001300118458 1067730978 /nfs/dbraw/zinc/73/09/78/1067730978.db2.gz YSKKODGCLZRCHR-OAQYLSRUSA-N 1 0 465.564 4.191 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001356367630 1067737616 /nfs/dbraw/zinc/73/76/16/1067737616.db2.gz BPBMHAWBQZTBBY-XZOQPEGZSA-N 1 0 456.631 4.334 20 0 JIADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nc1 ZINC001356378584 1067739434 /nfs/dbraw/zinc/73/94/34/1067739434.db2.gz UFWGTOVXOFENOH-UHFFFAOYSA-N 1 0 456.612 4.201 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H]3CSC)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300122879 1067742809 /nfs/dbraw/zinc/74/28/09/1067742809.db2.gz KUUCTXCABLAOIB-QFIPXVFZSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001300124952 1067749333 /nfs/dbraw/zinc/74/93/33/1067749333.db2.gz APGNRTQTGXQUNL-NFQMXDRXSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300125019 1067749383 /nfs/dbraw/zinc/74/93/83/1067749383.db2.gz BTOJOHDGJDJSIW-RCZVLFRGSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCCC(C)(C)C)cc1 ZINC001300126854 1067755902 /nfs/dbraw/zinc/75/59/02/1067755902.db2.gz JBBHWTZWKQRKJL-UHFFFAOYSA-N 1 0 483.701 4.447 20 0 JIADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC001352858711 1067768625 /nfs/dbraw/zinc/76/86/25/1067768625.db2.gz SLGSUBOZTOPSRK-UHFFFAOYSA-N 1 0 459.363 4.286 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132745 1067770988 /nfs/dbraw/zinc/77/09/88/1067770988.db2.gz DRMDYSKUCPDGKE-LADGPHEKSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CCCn2c(Cc3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300137300 1067781058 /nfs/dbraw/zinc/78/10/58/1067781058.db2.gz UUGOUOCKZWQJJM-UHFFFAOYSA-N 1 0 462.642 4.216 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC001352893611 1067788520 /nfs/dbraw/zinc/78/85/20/1067788520.db2.gz NZJBXDFVJPBOAB-UPRLRBBYSA-N 1 0 469.629 4.026 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000849058898 1067788964 /nfs/dbraw/zinc/78/89/64/1067788964.db2.gz ZWUCNIFCXBUGJT-GOSISDBHSA-N 1 0 474.627 4.041 20 0 JIADRO COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)NC(=O)OC(C)(C)C ZINC000849058709 1067789010 /nfs/dbraw/zinc/78/90/10/1067789010.db2.gz OWGHDTBFSLANJO-GOSISDBHSA-N 1 0 456.543 4.059 20 0 JIADRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000849058561 1067789565 /nfs/dbraw/zinc/78/95/65/1067789565.db2.gz FTENJAJKMKESOP-OAQYLSRUSA-N 1 0 490.073 4.236 20 0 JIADRO COc1ccc(CCn2c(C)nnc2N2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC001300141672 1067791211 /nfs/dbraw/zinc/79/12/11/1067791211.db2.gz AHEHDEQFRKPAPZ-UHFFFAOYSA-N 1 0 462.436 4.055 20 0 JIADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000849067893 1067795960 /nfs/dbraw/zinc/79/59/60/1067795960.db2.gz MDWBCOCFPLQOKK-CQSZACIVSA-N 1 0 457.427 4.397 20 0 JIADRO COc1ccc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CC(C)C)CC2)cc1Br ZINC001300143321 1067796239 /nfs/dbraw/zinc/79/62/39/1067796239.db2.gz BZUXHAAVUKVODF-UHFFFAOYSA-N 1 0 499.457 4.132 20 0 JIADRO [NH2+]=C(NCCc1ccc(I)s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849072802 1067796917 /nfs/dbraw/zinc/79/69/17/1067796917.db2.gz IAZWGNDYPJUKNW-UHFFFAOYSA-N 1 0 455.243 4.430 20 0 JIADRO COc1ccc(CCn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2C(C)(C)C)cc1OC(F)F ZINC001300158545 1067814690 /nfs/dbraw/zinc/81/46/90/1067814690.db2.gz RRQYFNIXWGZNAU-UHFFFAOYSA-N 1 0 465.589 4.349 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)cc1OC ZINC001300159289 1067815554 /nfs/dbraw/zinc/81/55/54/1067815554.db2.gz WZLRFIZVIZBNCK-UHFFFAOYSA-N 1 0 485.673 4.338 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492584754 1067821355 /nfs/dbraw/zinc/82/13/55/1067821355.db2.gz RQPODOJUNMPZIP-BJKOFHAPSA-N 1 0 463.674 4.271 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC(C)(C)O ZINC001492585138 1067825116 /nfs/dbraw/zinc/82/51/16/1067825116.db2.gz YQMPPLPQKFLJCU-XZOQPEGZSA-N 1 0 453.675 4.429 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC(C)(C)O ZINC001492585136 1067825211 /nfs/dbraw/zinc/82/52/11/1067825211.db2.gz YQMPPLPQKFLJCU-GOTSBHOMSA-N 1 0 453.675 4.429 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300167049 1067825521 /nfs/dbraw/zinc/82/55/21/1067825521.db2.gz UOUXLSFIYVVWHL-DEOSSOPVSA-N 1 0 478.641 4.423 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300169306 1067827219 /nfs/dbraw/zinc/82/72/19/1067827219.db2.gz DDTHUMIIHAABRM-OAQYLSRUSA-N 1 0 471.646 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(OC3CCOCC3)cc2)CC1 ZINC001357275057 1067829304 /nfs/dbraw/zinc/82/93/04/1067829304.db2.gz MGBYFUGBFCVRLL-LJQANCHMSA-N 1 0 455.574 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001300170900 1067830183 /nfs/dbraw/zinc/83/01/83/1067830183.db2.gz YMRCHFYWSVFKCK-NZQKXSOJSA-N 1 0 453.587 4.369 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001357284619 1067830414 /nfs/dbraw/zinc/83/04/14/1067830414.db2.gz KEKVAVDYSHCBSN-UHFFFAOYSA-N 1 0 458.527 4.090 20 0 JIADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1 ZINC001357285860 1067830721 /nfs/dbraw/zinc/83/07/21/1067830721.db2.gz SUVFMCXITPAWEL-UHFFFAOYSA-N 1 0 453.029 4.243 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300173871 1067833307 /nfs/dbraw/zinc/83/33/07/1067833307.db2.gz ZRQIWJLIAOTNTH-PIKZIKFNSA-N 1 0 492.668 4.428 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC001300176003 1067835113 /nfs/dbraw/zinc/83/51/13/1067835113.db2.gz GJNWFMYINZZZHJ-SFTDATJTSA-N 1 0 480.632 4.416 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176213 1067835643 /nfs/dbraw/zinc/83/56/43/1067835643.db2.gz LUQYDTPQHXVBBS-OAQYLSRUSA-N 1 0 492.668 4.428 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300176369 1067836257 /nfs/dbraw/zinc/83/62/57/1067836257.db2.gz QWIRCAFHXYSNHS-PMACEKPBSA-N 1 0 466.605 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300179157 1067841038 /nfs/dbraw/zinc/84/10/38/1067841038.db2.gz MRRPWGNLOYBRMX-FYYLOGMGSA-N 1 0 473.662 4.191 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001300179678 1067842715 /nfs/dbraw/zinc/84/27/15/1067842715.db2.gz DMNLPRSUPJBSEZ-FGZHOGPDSA-N 1 0 469.674 4.464 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300180292 1067843235 /nfs/dbraw/zinc/84/32/35/1067843235.db2.gz LPINWNNFWNBQFB-HSZRJFAPSA-N 1 0 483.636 4.044 20 0 JIADRO COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)cc1F ZINC001300191226 1067854376 /nfs/dbraw/zinc/85/43/76/1067854376.db2.gz AOXZLSQRRSSJMZ-UHFFFAOYSA-N 1 0 491.409 4.010 20 0 JIADRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001353091547 1067860121 /nfs/dbraw/zinc/86/01/21/1067860121.db2.gz FACFMUCIYRXYQQ-NRFANRHFSA-N 1 0 459.638 4.172 20 0 JIADRO O=C(COc1ccc(F)c(F)c1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001353091511 1067860129 /nfs/dbraw/zinc/86/01/29/1067860129.db2.gz DFMOMTZSFFMIKO-UHFFFAOYSA-N 1 0 451.517 4.300 20 0 JIADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC001473279965 1067861445 /nfs/dbraw/zinc/86/14/45/1067861445.db2.gz USINXPWZBXPNOL-HKUYNNGSSA-N 1 0 452.437 4.349 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1c(C)cc(Br)cc1C)C2 ZINC001200222305 1067864681 /nfs/dbraw/zinc/86/46/81/1067864681.db2.gz RAIOHELWFSCCEB-XMSQKQJNSA-N 1 0 466.489 4.443 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1O ZINC001300196869 1067866346 /nfs/dbraw/zinc/86/63/46/1067866346.db2.gz VOTNKSMUMVINMP-UHFFFAOYSA-N 1 0 485.032 4.314 20 0 JIADRO COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1Cl ZINC001300197160 1067867421 /nfs/dbraw/zinc/86/74/21/1067867421.db2.gz GPRUJWVOZLTYDE-UHFFFAOYSA-N 1 0 455.006 4.361 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001357542803 1067867461 /nfs/dbraw/zinc/86/74/61/1067867461.db2.gz JYNJPIYNAWANQG-FQEVSTJZSA-N 1 0 451.011 4.210 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnn(C)c3Cc3ccccc3)cc2Cl)CC1 ZINC001357551993 1067868840 /nfs/dbraw/zinc/86/88/40/1067868840.db2.gz MRQCYTXBBUAOBH-UHFFFAOYSA-N 1 0 452.002 4.449 20 0 JIADRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=S)Nc3c(C)cc(Br)cc3C)CC2)C1 ZINC001200227176 1067871223 /nfs/dbraw/zinc/87/12/23/1067871223.db2.gz FLKZRYOZCWKYBO-INIZCTEOSA-N 1 0 468.461 4.112 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1)C[C@H]1CCCCO1 ZINC001357599138 1067876064 /nfs/dbraw/zinc/87/60/64/1067876064.db2.gz KFNVDJNXPNGNKD-RPWUZVMVSA-N 1 0 453.583 4.281 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630839 1067879563 /nfs/dbraw/zinc/87/95/63/1067879563.db2.gz KKHGGEUZKUSYBI-XLIONFOSSA-N 1 0 453.384 4.259 20 0 JIADRO COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(OC)c1 ZINC001300208699 1067880391 /nfs/dbraw/zinc/88/03/91/1067880391.db2.gz SQKPVPMHQJEDCD-JOCHJYFZSA-N 1 0 471.646 4.143 20 0 JIADRO Cc1ccc(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1 ZINC001357644122 1067881768 /nfs/dbraw/zinc/88/17/68/1067881768.db2.gz GEFVBCGNRGSPAG-LJQANCHMSA-N 1 0 458.400 4.026 20 0 JIADRO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001300213947 1067884362 /nfs/dbraw/zinc/88/43/62/1067884362.db2.gz YQXWIVGIMMNHQO-UHFFFAOYSA-N 1 0 458.543 4.325 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492560128 1067888018 /nfs/dbraw/zinc/88/80/18/1067888018.db2.gz SBQZVLNWJPAATK-QHCPKHFHSA-N 1 0 482.698 4.165 20 0 JIADRO COc1ccc(Br)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001357724446 1067891708 /nfs/dbraw/zinc/89/17/08/1067891708.db2.gz VEQVVKYFVQOWQI-XZOQPEGZSA-N 1 0 480.406 4.385 20 0 JIADRO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357780035 1067898602 /nfs/dbraw/zinc/89/86/02/1067898602.db2.gz JBZGGCYPNFRNEA-ZBFHGGJFSA-N 1 0 452.311 4.071 20 0 JIADRO C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357779640 1067898725 /nfs/dbraw/zinc/89/87/25/1067898725.db2.gz IBEQGPIOKYYTSA-NKKJXINNSA-N 1 0 451.611 4.322 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001200267704 1067908082 /nfs/dbraw/zinc/90/80/82/1067908082.db2.gz QIIZIOQHNZOPKW-YADHBBJMSA-N 1 0 471.667 4.311 20 0 JIADRO COc1ccc(COCCCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300232535 1067920393 /nfs/dbraw/zinc/92/03/93/1067920393.db2.gz YBSLWMKPZIEMLI-UHFFFAOYSA-N 1 0 492.668 4.190 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001300235572 1067926802 /nfs/dbraw/zinc/92/68/02/1067926802.db2.gz HNZPHJSFSNNSQZ-FQEVSTJZSA-N 1 0 450.027 4.057 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CC4(CCC4)C3)cc2)CC1 ZINC001357905944 1067938004 /nfs/dbraw/zinc/93/80/04/1067938004.db2.gz UNVXEANLZBBETH-UHFFFAOYSA-N 1 0 456.631 4.383 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300238353 1067939779 /nfs/dbraw/zinc/93/97/79/1067939779.db2.gz HESNDDFXSWJQNB-FQEVSTJZSA-N 1 0 475.062 4.272 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(CC2CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300238754 1067942921 /nfs/dbraw/zinc/94/29/21/1067942921.db2.gz VFWUFGMETPMIGC-UHFFFAOYSA-N 1 0 476.065 4.418 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300248681 1067988002 /nfs/dbraw/zinc/98/80/02/1067988002.db2.gz DSAAMSWYXJOCAL-HXUWFJFHSA-N 1 0 464.614 4.127 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492561568 1068002744 /nfs/dbraw/zinc/00/27/44/1068002744.db2.gz JMEYHVOIMFCHIG-FUPPJEDESA-N 1 0 482.673 4.476 20 0 JIADRO CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCC1 ZINC001358049894 1068003098 /nfs/dbraw/zinc/00/30/98/1068003098.db2.gz DBSVDTUZQVABIN-UHFFFAOYSA-N 1 0 458.603 4.277 20 0 JIADRO C[C@H]1[C@H](C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001358051555 1068003940 /nfs/dbraw/zinc/00/39/40/1068003940.db2.gz XNJCLNCTJOQZLM-GHTZIAJQSA-N 1 0 458.603 4.085 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)CC1 ZINC001358076855 1068011741 /nfs/dbraw/zinc/01/17/41/1068011741.db2.gz FVFHSGJDMTVQJS-WOJBJXKFSA-N 1 0 453.606 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC001358078122 1068012383 /nfs/dbraw/zinc/01/23/83/1068012383.db2.gz RMDBUEHROZDHAK-QGZVFWFLSA-N 1 0 455.965 4.298 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001492562573 1068016557 /nfs/dbraw/zinc/01/65/57/1068016557.db2.gz LFJDKSHWUYWMLV-UHFFFAOYSA-N 1 0 451.537 4.143 20 0 JIADRO CN(c1ccc(NC(=O)c2c3ccc(Br)cc3nn2C)cc1)C1CC[NH+](C)CC1 ZINC001358115596 1068022322 /nfs/dbraw/zinc/02/23/22/1068022322.db2.gz HCKSREVORKUWIN-UHFFFAOYSA-N 1 0 456.388 4.119 20 0 JIADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001358170973 1068036061 /nfs/dbraw/zinc/03/60/61/1068036061.db2.gz QFQAXFYHESDRJQ-GBXCKJPGSA-N 1 0 457.640 4.206 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CCCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001300266974 1068038795 /nfs/dbraw/zinc/03/87/95/1068038795.db2.gz MNPPBTWAIWAVRS-UHFFFAOYSA-N 1 0 485.673 4.118 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300270252 1068048690 /nfs/dbraw/zinc/04/86/90/1068048690.db2.gz RZVHJTXNKUQUNJ-FGZHOGPDSA-N 1 0 485.673 4.237 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001358248289 1068051324 /nfs/dbraw/zinc/05/13/24/1068051324.db2.gz UOOPXXHUJWMLMP-HXUWFJFHSA-N 1 0 454.924 4.486 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300271229 1068051414 /nfs/dbraw/zinc/05/14/14/1068051414.db2.gz VHAAVQDMLMDEGE-VSKRKVRLSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300271840 1068052810 /nfs/dbraw/zinc/05/28/10/1068052810.db2.gz MOWZVBRDNCLBIC-JOCHJYFZSA-N 1 0 497.587 4.002 20 0 JIADRO O=C(CCCOc1cccc(Br)c1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001353364269 1068062943 /nfs/dbraw/zinc/06/29/43/1068062943.db2.gz BWZLJMBOTKMMNT-UHFFFAOYSA-N 1 0 455.462 4.476 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)ccc21 ZINC001358391211 1068080594 /nfs/dbraw/zinc/08/05/94/1068080594.db2.gz UXTWUQBVMKTSJA-GOSISDBHSA-N 1 0 454.521 4.253 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300284565 1068081173 /nfs/dbraw/zinc/08/11/73/1068081173.db2.gz QQYNEHRVWOJADL-HFZDXXHNSA-N 1 0 471.646 4.136 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001358439115 1068091447 /nfs/dbraw/zinc/09/14/47/1068091447.db2.gz RACCJXCIGXXNBW-OEQAEZTDSA-N 1 0 457.618 4.160 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(C)(C)SC)cc1 ZINC001300291500 1068097019 /nfs/dbraw/zinc/09/70/19/1068097019.db2.gz OZKDJUALFZGDLR-UHFFFAOYSA-N 1 0 473.687 4.462 20 0 JIADRO C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478749 1068101877 /nfs/dbraw/zinc/10/18/77/1068101877.db2.gz LOMDOBUQXZKNJJ-WIYYLYMNSA-N 1 0 455.986 4.015 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2C[C@H](SC)C(C)(C)C)cc1 ZINC001300294430 1068108918 /nfs/dbraw/zinc/10/89/18/1068108918.db2.gz IEJYLWXYNZZRJC-QFIPXVFZSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](OC)C(C)(C)C)cc1 ZINC001300297129 1068128209 /nfs/dbraw/zinc/12/82/09/1068128209.db2.gz SCWCMDVHLQOQRY-QHCPKHFHSA-N 1 0 487.689 4.485 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300297815 1068131887 /nfs/dbraw/zinc/13/18/87/1068131887.db2.gz PPUMMFNBNHVLCC-FQEVSTJZSA-N 1 0 473.687 4.462 20 0 JIADRO Cc1ccc(NC(=S)NC2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 ZINC001200345810 1068164521 /nfs/dbraw/zinc/16/45/21/1068164521.db2.gz GOFXHTSBWQDRIU-KRWDZBQOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300310951 1068187832 /nfs/dbraw/zinc/18/78/32/1068187832.db2.gz OKVQCOOZSIMOLA-PQNGQFLHSA-N 1 0 485.673 4.410 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300312738 1068200427 /nfs/dbraw/zinc/20/04/27/1068200427.db2.gz QVYZUTGEDOCDSK-UHFFFAOYSA-N 1 0 464.614 4.047 20 0 JIADRO COc1ccccc1S(=O)(=O)CCCN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001473597066 1068262873 /nfs/dbraw/zinc/26/28/73/1068262873.db2.gz MXUQMHRCKGBEDJ-UHFFFAOYSA-N 1 0 456.652 4.237 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2s1 ZINC000612073470 1068270681 /nfs/dbraw/zinc/27/06/81/1068270681.db2.gz ZAUTUSBPFHKXQX-UHFFFAOYSA-N 1 0 451.577 4.467 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(C(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC001300330683 1068271811 /nfs/dbraw/zinc/27/18/11/1068271811.db2.gz NRPJEOHNIYEPJZ-UHFFFAOYSA-N 1 0 469.674 4.469 20 0 JIADRO COCCSCCC[N@@H+]1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822699 1068285899 /nfs/dbraw/zinc/28/58/99/1068285899.db2.gz KMWONEKLMZVGNY-PMACEKPBSA-N 1 0 450.645 4.386 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CCOCC2)[NH+](C)C)c1 ZINC001300333661 1068292468 /nfs/dbraw/zinc/29/24/68/1068292468.db2.gz CHMXOIDRVRTGKU-QFIPXVFZSA-N 1 0 485.032 4.168 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+](C)C)c1 ZINC001300334087 1068297764 /nfs/dbraw/zinc/29/77/64/1068297764.db2.gz FBLLWTGGPVAYIA-DYESRHJHSA-N 1 0 485.032 4.309 20 0 JIADRO CC(C)N1C(=O)C[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001353538473 1068303244 /nfs/dbraw/zinc/30/32/44/1068303244.db2.gz MIHCDTPWVGGIAA-HYBUGGRVSA-N 1 0 459.993 4.415 20 0 JIADRO C[N@H+](CCCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)Cc1ccccc1 ZINC001353538843 1068304392 /nfs/dbraw/zinc/30/43/92/1068304392.db2.gz QKADABCOSKLRAB-ODTUPPAISA-N 1 0 454.014 4.373 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)Nc3nnc(SCc4ccccc4)s3)CCCC2)CC1 ZINC000518627518 1068307930 /nfs/dbraw/zinc/30/79/30/1068307930.db2.gz SKUFUHNAOCQCGY-UHFFFAOYSA-N 1 0 461.657 4.376 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)c1 ZINC001300335718 1068308366 /nfs/dbraw/zinc/30/83/66/1068308366.db2.gz VIARMYIJBBTDCM-HSZRJFAPSA-N 1 0 480.016 4.280 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)[NH+](C)C)c1 ZINC001300338330 1068316236 /nfs/dbraw/zinc/31/62/36/1068316236.db2.gz BHOZNULCJKTLAZ-XMSQKQJNSA-N 1 0 494.606 4.320 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)CCC2CCOCC2)[NH+](C)C)c1 ZINC001300339389 1068319184 /nfs/dbraw/zinc/31/91/84/1068319184.db2.gz HANFBACJFUAJNK-HSZRJFAPSA-N 1 0 457.663 4.431 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000520048124 1068320050 /nfs/dbraw/zinc/32/00/50/1068320050.db2.gz ODHMLWAOAKLSNV-UHFFFAOYSA-N 1 0 456.388 4.290 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300339860 1068320763 /nfs/dbraw/zinc/32/07/63/1068320763.db2.gz JNALBGZGCIKKHU-JOCHJYFZSA-N 1 0 465.646 4.437 20 0 JIADRO CCCc1c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001353557877 1068322654 /nfs/dbraw/zinc/32/26/54/1068322654.db2.gz CWHBZOFJGXWZGS-UHFFFAOYSA-N 1 0 452.002 4.310 20 0 JIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC001200379634 1068323157 /nfs/dbraw/zinc/32/31/57/1068323157.db2.gz XFJUKLWUFNZYIH-HNNXBMFYSA-N 1 0 459.388 4.204 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300340850 1068325434 /nfs/dbraw/zinc/32/54/34/1068325434.db2.gz PVUSASGCMJEXFN-FQEVSTJZSA-N 1 0 451.537 4.465 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCS[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300341111 1068326585 /nfs/dbraw/zinc/32/65/85/1068326585.db2.gz QJFXULHJIORPPE-PUHATCMVSA-N 1 0 473.687 4.061 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)[NH+](C)C)c1 ZINC001300341540 1068328811 /nfs/dbraw/zinc/32/88/11/1068328811.db2.gz SCDSMKKBMUWBJD-FXAWDEMLSA-N 1 0 476.046 4.445 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000503055997 1068330511 /nfs/dbraw/zinc/33/05/11/1068330511.db2.gz YVPUGDCYJACWKI-UHFFFAOYSA-N 1 0 496.481 4.300 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300342322 1068331397 /nfs/dbraw/zinc/33/13/97/1068331397.db2.gz WDUCSWOMUKXQPV-YTFSRNRJSA-N 1 0 471.646 4.083 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300342320 1068331770 /nfs/dbraw/zinc/33/17/70/1068331770.db2.gz WDUCSWOMUKXQPV-RJGXRXQPSA-N 1 0 471.646 4.083 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCN([C@H](C)c3nccs3)CC2)[NH+](C)C)c1 ZINC001300342731 1068333017 /nfs/dbraw/zinc/33/30/17/1068333017.db2.gz XUQPEHKZBIGGDM-OFNKIYASSA-N 1 0 497.713 4.128 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300343141 1068334058 /nfs/dbraw/zinc/33/40/58/1068334058.db2.gz ZYTOGXWOBOADJF-AUSIDOKSSA-N 1 0 498.672 4.208 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300343144 1068334149 /nfs/dbraw/zinc/33/41/49/1068334149.db2.gz ZYTOGXWOBOADJF-XXBNENTESA-N 1 0 498.672 4.208 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001300350153 1068358460 /nfs/dbraw/zinc/35/84/60/1068358460.db2.gz BGDNKHQHFDQTDE-GOSISDBHSA-N 1 0 472.037 4.242 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccco3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001300350157 1068358603 /nfs/dbraw/zinc/35/86/03/1068358603.db2.gz BGYWRALRFFTOAY-UHFFFAOYSA-N 1 0 453.587 4.073 20 0 JIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC001474153856 1068360090 /nfs/dbraw/zinc/36/00/90/1068360090.db2.gz GVSJSDNAXQCJNO-CQSZACIVSA-N 1 0 457.459 4.229 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300350860 1068361389 /nfs/dbraw/zinc/36/13/89/1068361389.db2.gz OLKKVQUJUXGMLQ-OALUTQOASA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001300352529 1068366562 /nfs/dbraw/zinc/36/65/62/1068366562.db2.gz JBNQPNNVXRVPIW-IBGZPJMESA-N 1 0 454.644 4.211 20 0 JIADRO COc1cccc(-c2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001300354791 1068374147 /nfs/dbraw/zinc/37/41/47/1068374147.db2.gz IDTIOGFIIJMCMP-XMMPIXPASA-N 1 0 467.614 4.319 20 0 JIADRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC001353637290 1068389966 /nfs/dbraw/zinc/38/99/66/1068389966.db2.gz SHHVRXRPMZFFJJ-KRWDZBQOSA-N 1 0 453.583 4.366 20 0 JIADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)cc(Cl)c3OC)CC2)cc1OC ZINC001200400291 1068391062 /nfs/dbraw/zinc/39/10/62/1068391062.db2.gz GPUBYIUZZBMFIK-UHFFFAOYSA-N 1 0 453.366 4.414 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001300365040 1068398142 /nfs/dbraw/zinc/39/81/42/1068398142.db2.gz YZEMOSXYBISWGD-FQEVSTJZSA-N 1 0 453.587 4.243 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC[C@@H](OC)C(F)(F)F)c1 ZINC001300369259 1068415644 /nfs/dbraw/zinc/41/56/44/1068415644.db2.gz BDEYPZREJCDXEJ-OAQYLSRUSA-N 1 0 481.563 4.376 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001300374285 1068439555 /nfs/dbraw/zinc/43/95/55/1068439555.db2.gz GMDYQPCOVVONQM-ISKFKSNPSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001300374286 1068439611 /nfs/dbraw/zinc/43/96/11/1068439611.db2.gz GMDYQPCOVVONQM-LADGPHEKSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375643 1068445414 /nfs/dbraw/zinc/44/54/14/1068445414.db2.gz FZYOXWVIAPYEOH-GOTSBHOMSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375644 1068445562 /nfs/dbraw/zinc/44/55/62/1068445562.db2.gz FZYOXWVIAPYEOH-PKTZIBPZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001300380860 1068468977 /nfs/dbraw/zinc/46/89/77/1068468977.db2.gz NLFJIHAIYRVFMH-OFNKIYASSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001300385447 1068482519 /nfs/dbraw/zinc/48/25/19/1068482519.db2.gz PRWXATHBXCLPAH-LJQANCHMSA-N 1 0 494.606 4.149 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)c4ccc(C)s4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300388469 1068496476 /nfs/dbraw/zinc/49/64/76/1068496476.db2.gz IDNLVHKSEKGPJB-UHFFFAOYSA-N 1 0 496.681 4.016 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2F)C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200427574 1068502173 /nfs/dbraw/zinc/50/21/73/1068502173.db2.gz GQHMGRPHVABVII-NRFANRHFSA-N 1 0 478.678 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300390549 1068506339 /nfs/dbraw/zinc/50/63/39/1068506339.db2.gz ZKDPNFXLPJRHEQ-DENIHFKCSA-N 1 0 494.606 4.147 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200428785 1068507351 /nfs/dbraw/zinc/50/73/51/1068507351.db2.gz RNKQVUCLCSJFEG-UHFFFAOYSA-N 1 0 460.688 4.249 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(NC(=S)NCC[NH+]3CCCCC3)cc2)C1 ZINC001200433010 1068526749 /nfs/dbraw/zinc/52/67/49/1068526749.db2.gz ICUFERGIWMEIPX-NRFANRHFSA-N 1 0 462.660 4.237 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(Oc2c(F)cccc2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200433589 1068531712 /nfs/dbraw/zinc/53/17/12/1068531712.db2.gz SSMXJOLMEGLZGM-UHFFFAOYSA-N 1 0 480.650 4.376 20 0 JIADRO Cc1cc(Br)c(NC(=S)NCC[NH+]2CCCCC2)c(Br)c1F ZINC001200435154 1068537292 /nfs/dbraw/zinc/53/72/92/1068537292.db2.gz ZCANUNCNHDXXRX-UHFFFAOYSA-N 1 0 453.219 4.431 20 0 JIADRO COc1cccc(-c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300398371 1068543605 /nfs/dbraw/zinc/54/36/05/1068543605.db2.gz PDFMVWSTSSSUAU-ICSRJNTNSA-N 1 0 459.545 4.450 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([C@H](NC(=S)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001200442575 1068563374 /nfs/dbraw/zinc/56/33/74/1068563374.db2.gz MLMOQJJAZSBLIN-JOCHJYFZSA-N 1 0 460.688 4.325 20 0 JIADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1c(F)cccc1Br ZINC001200450644 1068599007 /nfs/dbraw/zinc/59/90/07/1068599007.db2.gz RFJNUNQCTFQALI-UHFFFAOYSA-N 1 0 458.169 4.489 20 0 JIADRO CCCCNC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200458170 1068627614 /nfs/dbraw/zinc/62/76/14/1068627614.db2.gz GNPFSTUJWLQKGL-JOCHJYFZSA-N 1 0 474.715 4.400 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300421077 1068636711 /nfs/dbraw/zinc/63/67/11/1068636711.db2.gz UEZNCWNUJQAZNT-PMACEKPBSA-N 1 0 483.682 4.463 20 0 JIADRO CCC[C@H]1CN(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC[N@@H+]1CCOC ZINC001200473380 1068684537 /nfs/dbraw/zinc/68/45/37/1068684537.db2.gz GKSYQOMIAPZVKC-NRUKRWIHSA-N 1 0 457.640 4.100 20 0 JIADRO C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436694 1068699846 /nfs/dbraw/zinc/69/98/46/1068699846.db2.gz XDZSTAPXVQSRNS-GMKZXUHWSA-N 1 0 457.659 4.435 20 0 JIADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC001353894224 1068728277 /nfs/dbraw/zinc/72/82/77/1068728277.db2.gz OJTORODAHIZCNZ-UHFFFAOYSA-N 1 0 457.618 4.375 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC001300447008 1068740344 /nfs/dbraw/zinc/74/03/44/1068740344.db2.gz SMBAWISKCJTRGA-OAQYLSRUSA-N 1 0 455.647 4.407 20 0 JIADRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001200499900 1068757435 /nfs/dbraw/zinc/75/74/35/1068757435.db2.gz JYGNLPSVLSFOAM-DEOSSOPVSA-N 1 0 451.611 4.497 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001300452313 1068761413 /nfs/dbraw/zinc/76/14/13/1068761413.db2.gz VAVSTQVSGHRPPS-OAQYLSRUSA-N 1 0 485.673 4.133 20 0 JIADRO Cc1cc(C(F)F)n(CC(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)n1 ZINC001353938821 1068770100 /nfs/dbraw/zinc/77/01/00/1068770100.db2.gz YRDWLJKFZPCEAV-UHFFFAOYSA-N 1 0 453.537 4.398 20 0 JIADRO COc1ccccc1[C@H](Cn1c(C(C)C)nnc1N(C)CCc1nccs1)[NH+]1CCCC1 ZINC001300455752 1068772952 /nfs/dbraw/zinc/77/29/52/1068772952.db2.gz PJFCSCBLQUMPEL-FQEVSTJZSA-N 1 0 454.644 4.383 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001300456373 1068775279 /nfs/dbraw/zinc/77/52/79/1068775279.db2.gz FEKWBZDGPWEHNE-RBBKRZOGSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300470170 1068810958 /nfs/dbraw/zinc/81/09/58/1068810958.db2.gz JPDVQKILPZKXOC-PMACEKPBSA-N 1 0 452.603 4.336 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300471343 1068813004 /nfs/dbraw/zinc/81/30/04/1068813004.db2.gz XNSUCZFGNMXWSD-NRFANRHFSA-N 1 0 455.647 4.471 20 0 JIADRO CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353994790 1068823470 /nfs/dbraw/zinc/82/34/70/1068823470.db2.gz XWMXJWLZTKFHST-OAQYLSRUSA-N 1 0 453.549 4.167 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492567132 1068831672 /nfs/dbraw/zinc/83/16/72/1068831672.db2.gz ZRZOWUMABSHVGX-RTWAWAEBSA-N 1 0 468.646 4.231 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300480661 1068833964 /nfs/dbraw/zinc/83/39/64/1068833964.db2.gz ATPPXIPXSJORQG-NRFANRHFSA-N 1 0 496.700 4.016 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300481019 1068834952 /nfs/dbraw/zinc/83/49/52/1068834952.db2.gz GSTCENXGYCYVGF-IRLDBZIGSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300481762 1068837037 /nfs/dbraw/zinc/83/70/37/1068837037.db2.gz SAUXACUIOCGHIL-NHCUHLMSSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300484721 1068842073 /nfs/dbraw/zinc/84/20/73/1068842073.db2.gz VTKXWHOHQGEMBH-OFNKIYASSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300485759 1068845049 /nfs/dbraw/zinc/84/50/49/1068845049.db2.gz KFGOFKDCOKEXAC-OAQYLSRUSA-N 1 0 469.655 4.307 20 0 JIADRO COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541773 1068857963 /nfs/dbraw/zinc/85/79/63/1068857963.db2.gz GSHDYOCSAZYWKH-GUFZZQPWSA-N 1 0 469.651 4.004 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300494152 1068862033 /nfs/dbraw/zinc/86/20/33/1068862033.db2.gz LGKKXZUCMRKLMV-RBUKOAKNSA-N 1 0 481.563 4.233 20 0 JIADRO COc1cc(NC(=S)N[C@H]2CC[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200548796 1068868912 /nfs/dbraw/zinc/86/89/12/1068868912.db2.gz MVSMAXADQDSVJB-HNNXBMFYSA-N 1 0 499.077 4.117 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300507744 1068882474 /nfs/dbraw/zinc/88/24/74/1068882474.db2.gz RTOYRGZAIFUNAV-UHFFFAOYSA-N 1 0 499.704 4.093 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCOC(F)(F)F ZINC001300511255 1068888672 /nfs/dbraw/zinc/88/86/72/1068888672.db2.gz ASIZCESQQBIJKC-UHFFFAOYSA-N 1 0 469.552 4.438 20 0 JIADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 ZINC000849118386 1068892272 /nfs/dbraw/zinc/89/22/72/1068892272.db2.gz QVZUCCYLPXSKOC-VWLOTQADSA-N 1 0 461.537 4.083 20 0 JIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001354133499 1068920090 /nfs/dbraw/zinc/92/00/90/1068920090.db2.gz FCGPMUWWWHKZPC-FYYLOGMGSA-N 1 0 451.567 4.261 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300524861 1068925051 /nfs/dbraw/zinc/92/50/51/1068925051.db2.gz NLUKPXIJIIHRKK-KNQAVFIVSA-N 1 0 460.582 4.312 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001354146621 1068930784 /nfs/dbraw/zinc/93/07/84/1068930784.db2.gz CWOIKLNXUKVUCC-GOSISDBHSA-N 1 0 455.400 4.320 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300529843 1068938878 /nfs/dbraw/zinc/93/88/78/1068938878.db2.gz LWFSKPSVXXHGEZ-GPXNEJASSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(CC2CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300532880 1068948363 /nfs/dbraw/zinc/94/83/63/1068948363.db2.gz SEZAFJNLINXECU-IBGZPJMESA-N 1 0 457.688 4.134 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300534579 1068951903 /nfs/dbraw/zinc/95/19/03/1068951903.db2.gz GDPQXIQXHZKRPS-VXKWHMMOSA-N 1 0 462.642 4.277 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300540337 1068970860 /nfs/dbraw/zinc/97/08/60/1068970860.db2.gz UOOGKKBEASJQOI-DFBJGRDBSA-N 1 0 452.603 4.012 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCOCCC(C)C ZINC001492569458 1068972539 /nfs/dbraw/zinc/97/25/39/1068972539.db2.gz YAYCROWANPDNQR-UHFFFAOYSA-N 1 0 482.717 4.311 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001492569527 1068973605 /nfs/dbraw/zinc/97/36/05/1068973605.db2.gz ZXUNTWAWTGXNDZ-HXUWFJFHSA-N 1 0 482.673 4.479 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001354207478 1068978467 /nfs/dbraw/zinc/97/84/67/1068978467.db2.gz HHIJGBIUMVUQPI-UHFFFAOYSA-N 1 0 459.590 4.386 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300546040 1068983821 /nfs/dbraw/zinc/98/38/21/1068983821.db2.gz BTOHVSLHJWGOTH-DHIUTWEWSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300546579 1068984974 /nfs/dbraw/zinc/98/49/74/1068984974.db2.gz CPHSKJMPCBBQAU-IPJJNNNSSA-N 1 0 495.590 4.154 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(NC(=S)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001200597262 1068986196 /nfs/dbraw/zinc/98/61/96/1068986196.db2.gz NXHNRIPQSCKUMD-INIZCTEOSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300552992 1069004425 /nfs/dbraw/zinc/00/44/25/1069004425.db2.gz PCNCMCUCLQPZOC-UHFFFAOYSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300557691 1069018079 /nfs/dbraw/zinc/01/80/79/1069018079.db2.gz OWPSDQZYDZCKMA-LADGPHEKSA-N 1 0 469.674 4.249 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001492587167 1069020265 /nfs/dbraw/zinc/02/02/65/1069020265.db2.gz GVGLKXZENOOWKW-NRFANRHFSA-N 1 0 478.607 4.126 20 0 JIADRO Cc1ccccc1[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492572961 1069048234 /nfs/dbraw/zinc/04/82/34/1069048234.db2.gz LXFOOYUOSZXXHG-JTHBVZDNSA-N 1 0 452.647 4.027 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001300565738 1069053589 /nfs/dbraw/zinc/05/35/89/1069053589.db2.gz AEGYIDHFUQPQFJ-QHCPKHFHSA-N 1 0 450.966 4.416 20 0 JIADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849487688 1069054559 /nfs/dbraw/zinc/05/45/59/1069054559.db2.gz MFKGWURRQMVLSE-ROUUACIJSA-N 1 0 480.440 4.028 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491997 1069059487 /nfs/dbraw/zinc/05/94/87/1069059487.db2.gz BKIYPVZVPFIFJV-XNKRGLCLSA-N 1 0 468.671 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849493413 1069060292 /nfs/dbraw/zinc/06/02/92/1069060292.db2.gz WWOVERPFKLIAAE-UXHICEINSA-N 1 0 463.548 4.492 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491773 1069060307 /nfs/dbraw/zinc/06/03/07/1069060307.db2.gz UDRRWBIDMSQAAO-YADHBBJMSA-N 1 0 454.521 4.286 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849493410 1069060372 /nfs/dbraw/zinc/06/03/72/1069060372.db2.gz WWOVERPFKLIAAE-PMACEKPBSA-N 1 0 463.548 4.492 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493051 1069061696 /nfs/dbraw/zinc/06/16/96/1069061696.db2.gz ZINDZMOEHUCFMS-UNMCSNQZSA-N 1 0 470.520 4.371 20 0 JIADRO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849493235 1069061824 /nfs/dbraw/zinc/06/18/24/1069061824.db2.gz ITGWQUKVIWLGCX-MHBGZZOHSA-N 1 0 473.621 4.204 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492931 1069062794 /nfs/dbraw/zinc/06/27/94/1069062794.db2.gz HFWYDLPNIHYDCM-RBUKOAKNSA-N 1 0 463.529 4.160 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300567687 1069063392 /nfs/dbraw/zinc/06/33/92/1069063392.db2.gz JNISCOPTPIKVRY-NOZRDPDXSA-N 1 0 469.674 4.392 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493854 1069063717 /nfs/dbraw/zinc/06/37/17/1069063717.db2.gz MODFMJKODUNMOL-VQTJNVASSA-N 1 0 481.622 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493472 1069063818 /nfs/dbraw/zinc/06/38/18/1069063818.db2.gz KFCAIBRYQCGJBL-RBUKOAKNSA-N 1 0 474.631 4.156 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H]2Cc2cccs2)n1CC[N@H+](C)C(C)C ZINC001300568502 1069067487 /nfs/dbraw/zinc/06/74/87/1069067487.db2.gz VEEQCUHNTKUYBM-NRFANRHFSA-N 1 0 453.656 4.491 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849496367 1069067719 /nfs/dbraw/zinc/06/77/19/1069067719.db2.gz KBDPSVHCXIYGMQ-DHIUTWEWSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849497300 1069068531 /nfs/dbraw/zinc/06/85/31/1069068531.db2.gz OBBUAYZHFMIPJV-UYAOXDASSA-N 1 0 484.442 4.063 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497452 1069069550 /nfs/dbraw/zinc/06/95/50/1069069550.db2.gz OCZPYSZWUVYPDB-NHCUHLMSSA-N 1 0 461.635 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071233 /nfs/dbraw/zinc/07/12/33/1069071233.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 1 0 491.705 4.211 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849501100 1069073890 /nfs/dbraw/zinc/07/38/90/1069073890.db2.gz SKWVUSXLCFVYKK-SXOMAYOGSA-N 1 0 460.622 4.267 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)[NH+]2CCCC2)cc1 ZINC000504150189 1069074116 /nfs/dbraw/zinc/07/41/16/1069074116.db2.gz BJSZQZWPAHKZCY-OAQYLSRUSA-N 1 0 467.595 4.105 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503806 1069082465 /nfs/dbraw/zinc/08/24/65/1069082465.db2.gz LGUNPPYKTWRHNG-UYAOXDASSA-N 1 0 499.974 4.148 20 0 JIADRO CCN(C(=O)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503871 1069083360 /nfs/dbraw/zinc/08/33/60/1069083360.db2.gz MDBKZBNKSKGBHX-KAYWLYCHSA-N 1 0 487.648 4.468 20 0 JIADRO COc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849506273 1069085269 /nfs/dbraw/zinc/08/52/69/1069085269.db2.gz MDCHPSQAHXLNRK-RRPNLBNLSA-N 1 0 460.622 4.472 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCSCC(F)(F)F ZINC001300572782 1069085238 /nfs/dbraw/zinc/08/52/38/1069085238.db2.gz LFKHNWJBCDBVCX-UHFFFAOYSA-N 1 0 483.604 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCSCc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849506075 1069086312 /nfs/dbraw/zinc/08/63/12/1069086312.db2.gz LBCRMGFXSITCRM-JWQCQUIFSA-N 1 0 450.652 4.437 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849508131 1069089009 /nfs/dbraw/zinc/08/90/09/1069089009.db2.gz HCEQUDRALAIPKB-VQTJNVASSA-N 1 0 452.530 4.343 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507597 1069090004 /nfs/dbraw/zinc/09/00/04/1069090004.db2.gz DKFNFFACMVZZBJ-YADHBBJMSA-N 1 0 466.973 4.392 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849510071 1069091857 /nfs/dbraw/zinc/09/18/57/1069091857.db2.gz OHKOTANYXDSNFP-UXHICEINSA-N 1 0 459.566 4.198 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849513302 1069096971 /nfs/dbraw/zinc/09/69/71/1069096971.db2.gz BCUYBCVIQUZPEQ-YADHBBJMSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849514537 1069098939 /nfs/dbraw/zinc/09/89/39/1069098939.db2.gz CCATVOIKBSMVLJ-RTBURBONSA-N 1 0 459.566 4.359 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849514535 1069099085 /nfs/dbraw/zinc/09/90/85/1069099085.db2.gz CCATVOIKBSMVLJ-OALUTQOASA-N 1 0 459.566 4.359 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514864 1069099895 /nfs/dbraw/zinc/09/98/95/1069099895.db2.gz AZNYZBBQQHQLFT-PMACEKPBSA-N 1 0 462.063 4.079 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849515113 1069099955 /nfs/dbraw/zinc/09/99/55/1069099955.db2.gz FFRHSCMDKIALBC-RBUKOAKNSA-N 1 0 475.424 4.424 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(Cl)cccc2Br)c1 ZINC001354313495 1069100339 /nfs/dbraw/zinc/10/03/39/1069100339.db2.gz XLCILCZLWKONFN-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001300576608 1069102301 /nfs/dbraw/zinc/10/23/01/1069102301.db2.gz IPHHGUCAQXDDCA-UHFFFAOYSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300577220 1069102871 /nfs/dbraw/zinc/10/28/71/1069102871.db2.gz RLINAOVOYKTNCO-JOCHJYFZSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849516710 1069104480 /nfs/dbraw/zinc/10/44/80/1069104480.db2.gz ANUOAMVCCFIXME-UXHICEINSA-N 1 0 493.574 4.129 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300577543 1069104844 /nfs/dbraw/zinc/10/48/44/1069104844.db2.gz YBOBUDCEILPKFO-OFNKIYASSA-N 1 0 469.674 4.392 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517965 1069105938 /nfs/dbraw/zinc/10/59/38/1069105938.db2.gz GEDVZKIDNVENAC-BJKOFHAPSA-N 1 0 464.541 4.231 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518632 1069109996 /nfs/dbraw/zinc/10/99/96/1069109996.db2.gz SGTHKYLCTRWBNK-NHCUHLMSSA-N 1 0 474.531 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518614 1069110059 /nfs/dbraw/zinc/11/00/59/1069110059.db2.gz OGPCEXJSIVPGEA-DQEYMECFSA-N 1 0 471.605 4.076 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518623 1069110151 /nfs/dbraw/zinc/11/01/51/1069110151.db2.gz SBVGNCRSBXCBML-WDYNHAJCSA-N 1 0 496.659 4.462 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518639 1069110249 /nfs/dbraw/zinc/11/02/49/1069110249.db2.gz SHIXLMKMWBNOLV-LOSJGSFVSA-N 1 0 484.604 4.264 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521441 1069114134 /nfs/dbraw/zinc/11/41/34/1069114134.db2.gz SOMROHCMPBGTAE-ZFGGDYGUSA-N 1 0 497.437 4.132 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849521965 1069115116 /nfs/dbraw/zinc/11/51/16/1069115116.db2.gz IFPMAWSCANBABH-RPBOFIJWSA-N 1 0 472.593 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522790 1069115840 /nfs/dbraw/zinc/11/58/40/1069115840.db2.gz ORVRCIDDXRJXLE-DQEYMECFSA-N 1 0 472.593 4.099 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521814 1069115978 /nfs/dbraw/zinc/11/59/78/1069115978.db2.gz VHYKHDOOADURSZ-RTWAWAEBSA-N 1 0 464.532 4.325 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522713 1069116777 /nfs/dbraw/zinc/11/67/77/1069116777.db2.gz NOURWTFEMNHDFU-WOJBJXKFSA-N 1 0 459.472 4.300 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524906 1069118323 /nfs/dbraw/zinc/11/83/23/1069118323.db2.gz KWPYEXYZVFEZRA-DHIUTWEWSA-N 1 0 499.537 4.043 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119177 /nfs/dbraw/zinc/11/91/77/1069119177.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 1 0 472.077 4.058 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525628 1069122592 /nfs/dbraw/zinc/12/25/92/1069122592.db2.gz RFSHWVDHYOVOSI-VWNXMTODSA-N 1 0 451.590 4.261 20 0 JIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849526932 1069124379 /nfs/dbraw/zinc/12/43/79/1069124379.db2.gz IOTZLFVVFULWJX-VXKWHMMOSA-N 1 0 477.012 4.454 20 0 JIADRO Cc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527678 1069128228 /nfs/dbraw/zinc/12/82/28/1069128228.db2.gz XKRAHXYLZYDEON-BKULYWANSA-N 1 0 454.977 4.462 20 0 JIADRO Cc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527687 1069128421 /nfs/dbraw/zinc/12/84/21/1069128421.db2.gz XKRAHXYLZYDEON-SFLYRZDNSA-N 1 0 454.977 4.462 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC001300585012 1069129814 /nfs/dbraw/zinc/12/98/14/1069129814.db2.gz MLAROILPQTZSQI-UHFFFAOYSA-N 1 0 455.624 4.014 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)CC23CCOCC3)cn1 ZINC000849542627 1069173353 /nfs/dbraw/zinc/17/33/53/1069173353.db2.gz FUWBCJSGQBBQJO-JWQCQUIFSA-N 1 0 450.627 4.099 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Br)c(NC(=S)NC2CCCCC2)cc1OC ZINC001200651104 1069177147 /nfs/dbraw/zinc/17/71/47/1069177147.db2.gz UWEXSYRZZAUORN-UHFFFAOYSA-N 1 0 485.492 4.148 20 0 JIADRO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300600188 1069186069 /nfs/dbraw/zinc/18/60/69/1069186069.db2.gz VKDMNXZNAJVDIA-IMSXRSKXSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547945 1069186344 /nfs/dbraw/zinc/18/63/44/1069186344.db2.gz LIXCXESAYYMQBS-ZEQRLZLVSA-N 1 0 482.669 4.270 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548936 1069188073 /nfs/dbraw/zinc/18/80/73/1069188073.db2.gz QNIPAPAUXSDIDJ-DHIUTWEWSA-N 1 0 481.641 4.400 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549983 1069191034 /nfs/dbraw/zinc/19/10/34/1069191034.db2.gz XDKRAEVQIVCMAV-SFTDATJTSA-N 1 0 460.504 4.077 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(C)c1 ZINC000849552489 1069191967 /nfs/dbraw/zinc/19/19/67/1069191967.db2.gz IUHLNRWJAAJVNI-VTZPFEBOSA-N 1 0 467.013 4.332 20 0 JIADRO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849553315 1069194890 /nfs/dbraw/zinc/19/48/90/1069194890.db2.gz RELPGMXNOTWPEA-NHCUHLMSSA-N 1 0 499.457 4.344 20 0 JIADRO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849552810 1069196172 /nfs/dbraw/zinc/19/61/72/1069196172.db2.gz GTQJALFMKYCECR-YADHBBJMSA-N 1 0 450.549 4.176 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554164 1069197013 /nfs/dbraw/zinc/19/70/13/1069197013.db2.gz UZLSIKRBZZAAPQ-UXHICEINSA-N 1 0 458.488 4.252 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849558713 1069206619 /nfs/dbraw/zinc/20/66/19/1069206619.db2.gz PPOPEFISKJXCKK-FPOVZHCZSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849560515 1069210254 /nfs/dbraw/zinc/21/02/54/1069210254.db2.gz BEYSFKAEQFQCNL-UFYCRDLUSA-N 1 0 465.425 4.221 20 0 JIADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849560668 1069210473 /nfs/dbraw/zinc/21/04/73/1069210473.db2.gz DKADEKVCYKJMCU-HKBOAZHASA-N 1 0 461.448 4.134 20 0 JIADRO CCC1(CC)CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565122 1069214033 /nfs/dbraw/zinc/21/40/33/1069214033.db2.gz TZZNBZHIIWVFOR-MOPGFXCFSA-N 1 0 459.432 4.323 20 0 JIADRO CCC1(CC)CN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565124 1069214421 /nfs/dbraw/zinc/21/44/21/1069214421.db2.gz TZZNBZHIIWVFOR-RBUKOAKNSA-N 1 0 459.432 4.323 20 0 JIADRO Cc1sc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565664 1069217043 /nfs/dbraw/zinc/21/70/43/1069217043.db2.gz ZJARUQUZZNOLTP-GKCIPKSASA-N 1 0 458.031 4.418 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572379 1069222987 /nfs/dbraw/zinc/22/29/87/1069222987.db2.gz OGARFEFORJMIAK-QZTJIDSGSA-N 1 0 487.364 4.332 20 0 JIADRO CCCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570720 1069223103 /nfs/dbraw/zinc/22/31/03/1069223103.db2.gz ASTWBFHCHBUKMR-VXKWHMMOSA-N 1 0 452.578 4.150 20 0 JIADRO C[N@@H+]1CCN(C(=O)CCCCc2ccc(I)cc2)C2(CCCCC2)C1 ZINC001354440364 1069223268 /nfs/dbraw/zinc/22/32/68/1069223268.db2.gz CGSKKIMMYMJOMH-UHFFFAOYSA-N 1 0 454.396 4.481 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849573150 1069224227 /nfs/dbraw/zinc/22/42/27/1069224227.db2.gz PLGWZYIYKIZAJL-GOTSBHOMSA-N 1 0 489.458 4.067 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849573149 1069224266 /nfs/dbraw/zinc/22/42/66/1069224266.db2.gz PLGWZYIYKIZAJL-DHIUTWEWSA-N 1 0 489.458 4.067 20 0 JIADRO CCC(CC)(CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576358 1069228125 /nfs/dbraw/zinc/22/81/25/1069228125.db2.gz CUMBHVIUBCOOTD-GOTSBHOMSA-N 1 0 470.658 4.125 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849576012 1069228997 /nfs/dbraw/zinc/22/89/97/1069228997.db2.gz BXGLHRQDGNDYOT-FKBYEOEOSA-N 1 0 477.422 4.499 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576125 1069229313 /nfs/dbraw/zinc/22/93/13/1069229313.db2.gz CLPLRJXGTBXYOI-UXHICEINSA-N 1 0 469.948 4.139 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579613 1069231552 /nfs/dbraw/zinc/23/15/52/1069231552.db2.gz XQWOWMHFZCSYFH-ACRUOGEOSA-N 1 0 463.395 4.015 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849581329 1069231905 /nfs/dbraw/zinc/23/19/05/1069231905.db2.gz GOVVRPIJJBAXGX-FCHUYYIVSA-N 1 0 473.459 4.403 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300617074 1069232402 /nfs/dbraw/zinc/23/24/02/1069232402.db2.gz ZKDOBCCPYHBXKF-QFIPXVFZSA-N 1 0 468.690 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582033 1069233176 /nfs/dbraw/zinc/23/31/76/1069233176.db2.gz KDURYRVXCHZBGA-ZIAGYGMSSA-N 1 0 480.407 4.384 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849583822 1069234941 /nfs/dbraw/zinc/23/49/41/1069234941.db2.gz VHUTZIBBTQRZME-GOTSBHOMSA-N 1 0 473.459 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849585208 1069235558 /nfs/dbraw/zinc/23/55/58/1069235558.db2.gz AEFBIYXZMWSXER-IRXDYDNUSA-N 1 0 458.912 4.467 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849585765 1069237361 /nfs/dbraw/zinc/23/73/61/1069237361.db2.gz AZDNBEJRTVERBM-JTHBVZDNSA-N 1 0 460.626 4.411 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849589246 1069240485 /nfs/dbraw/zinc/24/04/85/1069240485.db2.gz WFFSKTFTTWDWDG-SJLPKXTDSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849589036 1069240605 /nfs/dbraw/zinc/24/06/05/1069240605.db2.gz UYWIFGXTVKUPFP-FUDKSRODSA-N 1 0 466.523 4.350 20 0 JIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001354466362 1069240966 /nfs/dbraw/zinc/24/09/66/1069240966.db2.gz QWXSZKQJIKLAJR-ZEQRLZLVSA-N 1 0 451.611 4.103 20 0 JIADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589717 1069241837 /nfs/dbraw/zinc/24/18/37/1069241837.db2.gz SYOWPGPODQWEAA-RZUBCFFCSA-N 1 0 473.459 4.360 20 0 JIADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589715 1069242410 /nfs/dbraw/zinc/24/24/10/1069242410.db2.gz SYOWPGPODQWEAA-KCZVDYSFSA-N 1 0 473.459 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849590994 1069243082 /nfs/dbraw/zinc/24/30/82/1069243082.db2.gz BGOATUOARPKYQE-GJZGRUSLSA-N 1 0 462.417 4.245 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849592202 1069243663 /nfs/dbraw/zinc/24/36/63/1069243663.db2.gz KERUOGCBQGFBGI-GJZGRUSLSA-N 1 0 457.775 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H](c2cnn(C)c2)C1 ZINC000849590548 1069243838 /nfs/dbraw/zinc/24/38/38/1069243838.db2.gz BSLTWFGLWPSUFD-RTBURBONSA-N 1 0 463.598 4.050 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594136 1069246511 /nfs/dbraw/zinc/24/65/11/1069246511.db2.gz SZMGRTSUIYWSOH-ZJSXRUAMSA-N 1 0 451.590 4.261 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC000849595328 1069247045 /nfs/dbraw/zinc/24/70/45/1069247045.db2.gz IUTDSCXFBANAFI-AAIMPIBUSA-N 1 0 477.584 4.033 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300622882 1069249408 /nfs/dbraw/zinc/24/94/08/1069249408.db2.gz UAELSZJGZQAFRH-HXUWFJFHSA-N 1 0 453.587 4.243 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595949 1069250139 /nfs/dbraw/zinc/25/01/39/1069250139.db2.gz MKAZILSXKIORSB-ISJGIBHGSA-N 1 0 467.013 4.183 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595946 1069250267 /nfs/dbraw/zinc/25/02/67/1069250267.db2.gz MKAZILSXKIORSB-CCDWMCETSA-N 1 0 467.013 4.183 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300623609 1069252359 /nfs/dbraw/zinc/25/23/59/1069252359.db2.gz TYTSCQNEUHBRTI-FQEVSTJZSA-N 1 0 478.641 4.293 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598494 1069252879 /nfs/dbraw/zinc/25/28/79/1069252879.db2.gz ZZVGBNACGFJYPY-MOPGFXCFSA-N 1 0 493.877 4.498 20 0 JIADRO Cc1cc(CC(C)(C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849596881 1069253209 /nfs/dbraw/zinc/25/32/09/1069253209.db2.gz QBVQYYIYXYXVHU-RTWAWAEBSA-N 1 0 475.475 4.442 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000849597712 1069253737 /nfs/dbraw/zinc/25/37/37/1069253737.db2.gz VKFFHTSQNRROEZ-HUUCEWRRSA-N 1 0 464.410 4.054 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849597996 1069254074 /nfs/dbraw/zinc/25/40/74/1069254074.db2.gz WOAYAYWXJFNWAT-AJSBUHFISA-N 1 0 473.459 4.088 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cn1 ZINC000849601462 1069257805 /nfs/dbraw/zinc/25/78/05/1069257805.db2.gz KSBQQNFDRDUTLP-DNQXCXABSA-N 1 0 481.641 4.209 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000849604316 1069261368 /nfs/dbraw/zinc/26/13/68/1069261368.db2.gz CNYQJKQLQAMUAI-SFTDATJTSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@H](c2cnn(C)c2)C1 ZINC000849606261 1069262149 /nfs/dbraw/zinc/26/21/49/1069262149.db2.gz NMRGWTAGVLZWQZ-IRXDYDNUSA-N 1 0 489.443 4.154 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@H](c2cnn(C)c2)C1 ZINC000849605920 1069262344 /nfs/dbraw/zinc/26/23/44/1069262344.db2.gz KMBLWAIIQTZIES-HOTGVXAUSA-N 1 0 486.785 4.131 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607989 1069264354 /nfs/dbraw/zinc/26/43/54/1069264354.db2.gz MOVZJLRTQLESSM-RTWAWAEBSA-N 1 0 459.432 4.194 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@@H](c2cnn(C)c2)C1 ZINC000849608330 1069264402 /nfs/dbraw/zinc/26/44/02/1069264402.db2.gz OJPWKBMAXOSUDJ-LSDHHAIUSA-N 1 0 477.432 4.087 20 0 JIADRO CCCCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849607866 1069264822 /nfs/dbraw/zinc/26/48/22/1069264822.db2.gz ZKIYQBQUNMSSHU-LEWJYISDSA-N 1 0 453.612 4.397 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300628059 1069266453 /nfs/dbraw/zinc/26/64/53/1069266453.db2.gz PXBRSHVJAPMWKH-YTFSRNRJSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001300628061 1069266517 /nfs/dbraw/zinc/26/65/17/1069266517.db2.gz PXBRSHVJAPMWKH-ZRBLBEILSA-N 1 0 485.673 4.237 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849611336 1069270039 /nfs/dbraw/zinc/27/00/39/1069270039.db2.gz WOSWVCDAHNLVPX-YADHBBJMSA-N 1 0 473.459 4.136 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cn1 ZINC000849611744 1069273406 /nfs/dbraw/zinc/27/34/06/1069273406.db2.gz ABAXQSWOWHSXAD-DZGCQCFKSA-N 1 0 462.779 4.058 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300631810 1069281039 /nfs/dbraw/zinc/28/10/39/1069281039.db2.gz SKNKLZMMMMPGGW-OALUTQOASA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C)=C(Br)C2)n1CC[NH+]1CCCCC1 ZINC001300637175 1069292431 /nfs/dbraw/zinc/29/24/31/1069292431.db2.gz LPZKZYXCNLVNIF-UHFFFAOYSA-N 1 0 490.446 4.231 20 0 JIADRO Cc1nc(CN2CCOC[C@@]3(CCCN(C(=S)Nc4ccc(F)c(F)c4)C3)C2)cs1 ZINC001200692951 1069304416 /nfs/dbraw/zinc/30/44/16/1069304416.db2.gz QOZQKAGTWZCZPQ-NRFANRHFSA-N 1 0 452.596 4.041 20 0 JIADRO [NH3+]C1CC2(C1)CCN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)CC2 ZINC001164386645 718801825 /nfs/dbraw/zinc/80/18/25/718801825.db2.gz BSHGJVAYIGSLDZ-QFIPXVFZSA-N 1 0 450.389 4.125 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164389745 718824989 /nfs/dbraw/zinc/82/49/89/718824989.db2.gz JMSUUBQWZZWJEW-RTBURBONSA-N 1 0 469.680 4.219 20 0 JIADRO FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CCOCC12C[NH2+]C2 ZINC001164402667 718860845 /nfs/dbraw/zinc/86/08/45/718860845.db2.gz KSKDZEISGVLLSO-UHFFFAOYSA-N 1 0 462.953 4.224 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415359 718886058 /nfs/dbraw/zinc/88/60/58/718886058.db2.gz HFEFIITVUUYAOA-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164617440 719008950 /nfs/dbraw/zinc/00/89/50/719008950.db2.gz ODZOSJLVICYTCV-VGSWGCGISA-N 1 0 482.934 4.117 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164619329 719011239 /nfs/dbraw/zinc/01/12/39/719011239.db2.gz VRJZDECVSAJNFR-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164617864 719011784 /nfs/dbraw/zinc/01/17/84/719011784.db2.gz QGJDYGAQJUPBAV-UTKZUKDTSA-N 1 0 453.961 4.004 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001164615989 719020135 /nfs/dbraw/zinc/02/01/35/719020135.db2.gz KGKSLQIRJUTLAH-KKXDTOCCSA-N 1 0 456.320 4.330 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164619383 719020323 /nfs/dbraw/zinc/02/03/23/719020323.db2.gz VWPVMYBPYSVLJF-AFAVFJNCSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)CC2)CC1 ZINC001164614615 719023324 /nfs/dbraw/zinc/02/33/24/719023324.db2.gz VGGFDDJBNBBUKB-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)n3)CC2)CC1 ZINC001164617362 719031023 /nfs/dbraw/zinc/03/10/23/719031023.db2.gz KOCAGHKNJIPPMV-UHFFFAOYSA-N 1 0 465.594 4.088 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)CC2)CC1 ZINC001164618654 719031830 /nfs/dbraw/zinc/03/18/30/719031830.db2.gz XOHRJZHCLHBCRO-UHFFFAOYSA-N 1 0 475.637 4.340 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC2)CC1 ZINC001164617612 719033892 /nfs/dbraw/zinc/03/38/92/719033892.db2.gz NIBTVZSUURWFEI-UHFFFAOYSA-N 1 0 452.933 4.465 20 0 JIADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2n1C1CCCC1 ZINC001164621097 719078531 /nfs/dbraw/zinc/07/85/31/719078531.db2.gz HAVJNTRHCLAAOZ-SQJMNOBHSA-N 1 0 472.637 4.349 20 0 JIADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2n1C1CCCC1 ZINC001164621096 719078876 /nfs/dbraw/zinc/07/88/76/719078876.db2.gz HAVJNTRHCLAAOZ-PXDATVDWSA-N 1 0 472.637 4.349 20 0 JIADRO O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628976 719087004 /nfs/dbraw/zinc/08/70/04/719087004.db2.gz PHHHQGBGBFBLEC-YTMVLYRLSA-N 1 0 495.671 4.140 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)ccc-3c2=O)cc1 ZINC001164629030 719095426 /nfs/dbraw/zinc/09/54/26/719095426.db2.gz QBAMQMROZKCRQZ-KCWPFWIISA-N 1 0 468.601 4.347 20 0 JIADRO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1OC ZINC001164628021 719106426 /nfs/dbraw/zinc/10/64/26/719106426.db2.gz LVCMJQTWHGGTTE-NZQKXSOJSA-N 1 0 460.578 4.270 20 0 JIADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccccc21 ZINC001164629682 719140051 /nfs/dbraw/zinc/14/00/51/719140051.db2.gz BUVPHARDHBEEJP-VWLOTQADSA-N 1 0 492.664 4.034 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649184 719296751 /nfs/dbraw/zinc/29/67/51/719296751.db2.gz HGFVPYXZJOPVTR-RBJSKKJNSA-N 1 0 473.596 4.223 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655769 719322505 /nfs/dbraw/zinc/32/25/05/719322505.db2.gz XWSNYJWAUQMELY-RPLLCQBOSA-N 1 0 479.600 4.199 20 0 JIADRO CC(C)N(c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@H](C)C3)c1ncnc2c1CC[NH2+]CC2 ZINC001164660677 719345176 /nfs/dbraw/zinc/34/51/76/719345176.db2.gz JTFIFJYILRNGFJ-SFHVURJKSA-N 1 0 491.709 4.437 20 0 JIADRO CCOC[C@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164665888 719363154 /nfs/dbraw/zinc/36/31/54/719363154.db2.gz ZANPUWJFRRTLAQ-XMMPIXPASA-N 1 0 457.622 4.387 20 0 JIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681008 719657574 /nfs/dbraw/zinc/65/75/74/719657574.db2.gz LCCQVMVELLIPSG-SFHVURJKSA-N 1 0 492.014 4.077 20 0 JIADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc12 ZINC001164680352 719666111 /nfs/dbraw/zinc/66/61/11/719666111.db2.gz DAFLCSUOZPGLOS-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)c4c3CCCC4)CC2)c2ccccc21 ZINC001164682102 719666614 /nfs/dbraw/zinc/66/66/14/719666614.db2.gz PCOWOEYVOOBMES-IBGZPJMESA-N 1 0 482.072 4.102 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc4ncccc34)CC2)c2ccccc21 ZINC001164681457 719667064 /nfs/dbraw/zinc/66/70/64/719667064.db2.gz KTEQBFFPZXITGY-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO CCc1c(Cl)nnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1CC ZINC001164686816 719669053 /nfs/dbraw/zinc/66/90/53/719669053.db2.gz XBAMOKRYIOXXQN-IBGZPJMESA-N 1 0 484.088 4.348 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4[nH]c5ccccc5c43)CC2)c2ccccc21 ZINC001164679977 719671013 /nfs/dbraw/zinc/67/10/13/719671013.db2.gz ACCGLSQWUINQGM-FQEVSTJZSA-N 1 0 482.632 4.205 20 0 JIADRO Cc1nnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c2ccccc12 ZINC001164684362 719677739 /nfs/dbraw/zinc/67/77/39/719677739.db2.gz TUODZEWXCBCFKX-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(Cc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680417 719679123 /nfs/dbraw/zinc/67/91/23/719679123.db2.gz DVIMOXRGEICOAE-XMMPIXPASA-N 1 0 483.660 4.161 20 0 JIADRO CC(C)c1c(Cl)ncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685541 719681329 /nfs/dbraw/zinc/68/13/29/719681329.db2.gz LDQPPYFNFDAOKV-LJQANCHMSA-N 1 0 470.061 4.347 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(F)c(-c4ccsc4)n3)CC2)c2ccccc21 ZINC001164686487 719683224 /nfs/dbraw/zinc/68/32/24/719683224.db2.gz NQHAFGQGVBLIIK-HXUWFJFHSA-N 1 0 493.652 4.438 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164687088 719684750 /nfs/dbraw/zinc/68/47/50/719684750.db2.gz PPUBTPWDCMQBHU-NRFANRHFSA-N 1 0 486.664 4.319 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164689349 719740071 /nfs/dbraw/zinc/74/00/71/719740071.db2.gz CCBYCCYNOZZMMH-UHFFFAOYSA-N 1 0 480.616 4.268 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC3)cs1 ZINC001164699183 719817101 /nfs/dbraw/zinc/81/71/01/719817101.db2.gz GUJSXYPWZLJAGF-UHFFFAOYSA-N 1 0 483.469 4.020 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814147 720090555 /nfs/dbraw/zinc/09/05/55/720090555.db2.gz VOXVZECXMDRLFQ-VFNWGFHPSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164710303 720093795 /nfs/dbraw/zinc/09/37/95/720093795.db2.gz IITSIPDEWOZRPE-MRXNPFEDSA-N 1 0 461.397 4.167 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164711163 720096347 /nfs/dbraw/zinc/09/63/47/720096347.db2.gz OUFKYFOMOBWLPN-INIZCTEOSA-N 1 0 472.367 4.231 20 0 JIADRO COCc1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164712078 720098457 /nfs/dbraw/zinc/09/84/57/720098457.db2.gz VCCMZNLYFUUBJT-VWLOTQADSA-N 1 0 473.621 4.193 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1Cl ZINC001164714918 720105748 /nfs/dbraw/zinc/10/57/48/720105748.db2.gz FFOXJKCQVAREIA-SFHVURJKSA-N 1 0 493.435 4.468 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164714193 720115106 /nfs/dbraw/zinc/11/51/06/720115106.db2.gz ALSSEVYPCKODKC-HXUWFJFHSA-N 1 0 456.034 4.301 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164719109 720116357 /nfs/dbraw/zinc/11/63/57/720116357.db2.gz WGEUOYOMKDPVSA-QGZVFWFLSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164718652 720125493 /nfs/dbraw/zinc/12/54/93/720125493.db2.gz UKNUOEOORMEFTC-JOCHJYFZSA-N 1 0 462.594 4.155 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164713531 720130430 /nfs/dbraw/zinc/13/04/30/720130430.db2.gz RKMLPARXRPFPIE-FQEVSTJZSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164711093 720141541 /nfs/dbraw/zinc/14/15/41/720141541.db2.gz FIQKIONMAMFBSI-QHCPKHFHSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164710811 720145000 /nfs/dbraw/zinc/14/50/00/720145000.db2.gz DAGHTHOQRGXWCI-QFIPXVFZSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164714411 720151408 /nfs/dbraw/zinc/15/14/08/720151408.db2.gz XDBVXROORZUURJ-OAQYLSRUSA-N 1 0 464.639 4.119 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164714519 720157426 /nfs/dbraw/zinc/15/74/26/720157426.db2.gz QECFKVUAGIFFRG-FQEVSTJZSA-N 1 0 460.557 4.153 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164714457 720157971 /nfs/dbraw/zinc/15/79/71/720157971.db2.gz PMTQITQLTSICCY-GOSISDBHSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819754 720168343 /nfs/dbraw/zinc/16/83/43/720168343.db2.gz YBFNEFLDAPBACR-CUNXSJBXSA-N 1 0 483.726 4.479 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817530 720169724 /nfs/dbraw/zinc/16/97/24/720169724.db2.gz PSTYKUPICKJPLQ-LVXARBLLSA-N 1 0 469.699 4.089 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816637 720188924 /nfs/dbraw/zinc/18/89/24/720188924.db2.gz LXLJXYVFESXHNS-UFHPHHKVSA-N 1 0 461.654 4.319 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C ZINC001164814050 720242397 /nfs/dbraw/zinc/24/23/97/720242397.db2.gz UFQBGUAJFFCGHY-UHFFFAOYSA-N 1 0 467.017 4.221 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828460 720328169 /nfs/dbraw/zinc/32/81/69/720328169.db2.gz JPZSCBIPSDKPCY-RTBURBONSA-N 1 0 477.436 4.462 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164831983 720330484 /nfs/dbraw/zinc/33/04/84/720330484.db2.gz SPJRDEHKAKMHEV-LEWJYISDSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164825421 720335908 /nfs/dbraw/zinc/33/59/08/720335908.db2.gz DUMGIHVELNMFFN-KAYWLYCHSA-N 1 0 469.633 4.132 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164823245 720336367 /nfs/dbraw/zinc/33/63/67/720336367.db2.gz ABHUQCMMKVPNIF-JKSUJKDBSA-N 1 0 481.802 4.498 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164825009 720339956 /nfs/dbraw/zinc/33/99/56/720339956.db2.gz ILVUXKUBGNSQEB-PKTZIBPZSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)ccn2)CC1 ZINC001164829190 720343752 /nfs/dbraw/zinc/34/37/52/720343752.db2.gz QWCPMNCHXQUOGF-ZEQRLZLVSA-N 1 0 450.652 4.285 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164822721 720348269 /nfs/dbraw/zinc/34/82/69/720348269.db2.gz DUCUPZAKVHFSRN-YADHBBJMSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164822254 720350147 /nfs/dbraw/zinc/35/01/47/720350147.db2.gz CXJXIIKJZKSULR-JKSUJKDBSA-N 1 0 480.909 4.210 20 0 JIADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726701 720350142 /nfs/dbraw/zinc/35/01/42/720350142.db2.gz RCPBHVLHUAOGIW-LOSJGSFVSA-N 1 0 467.573 4.466 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164821512 720353535 /nfs/dbraw/zinc/35/35/35/720353535.db2.gz ANJGNZPNHHIHHT-PMACEKPBSA-N 1 0 490.435 4.487 20 0 JIADRO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735118 720440522 /nfs/dbraw/zinc/44/05/22/720440522.db2.gz WEYLMMYGMZDWAI-FGZHOGPDSA-N 1 0 474.678 4.414 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732918 720440871 /nfs/dbraw/zinc/44/08/71/720440871.db2.gz OUUHVCHTBGTWJO-NHCUHLMSSA-N 1 0 450.656 4.398 20 0 JIADRO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734824 720440970 /nfs/dbraw/zinc/44/09/70/720440970.db2.gz UZDSJTGWVYMDEU-YADHBBJMSA-N 1 0 474.678 4.414 20 0 JIADRO Cc1nc2c(cc(-c3nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)ncc3F)cc2F)n1C(C)C ZINC001164729323 720515429 /nfs/dbraw/zinc/51/54/29/720515429.db2.gz MEZVPQMIFUZQFG-QGZVFWFLSA-N 1 0 480.567 4.055 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839060 720520103 /nfs/dbraw/zinc/52/01/03/720520103.db2.gz SJSHTLIYMKBOMH-DJPFJPOOSA-N 1 0 460.960 4.402 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)C1 ZINC001164734572 720523346 /nfs/dbraw/zinc/52/33/46/720523346.db2.gz QSMDMAFHNGADFS-QGZVFWFLSA-N 1 0 459.623 4.027 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)cnc2Cl)c1 ZINC001164734500 720535625 /nfs/dbraw/zinc/53/56/25/720535625.db2.gz JFJXNNRRONKYKB-MRXNPFEDSA-N 1 0 461.944 4.350 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(CCC[C@@H]5COc5ccccn5)C4)ccc3C2)cc1 ZINC001164736230 720538631 /nfs/dbraw/zinc/53/86/31/720538631.db2.gz WDOYMMJKIWZTCL-VAVYLYDRSA-N 1 0 470.617 4.489 20 0 JIADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164836775 720539897 /nfs/dbraw/zinc/53/98/97/720539897.db2.gz KXADTHAVVKNILJ-ANTGDGSKSA-N 1 0 450.656 4.390 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842951 720561533 /nfs/dbraw/zinc/56/15/33/720561533.db2.gz ZBUWLQWOXVBLPZ-WSTZPKSXSA-N 1 0 460.022 4.265 20 0 JIADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727336 720568003 /nfs/dbraw/zinc/56/80/03/720568003.db2.gz DZPPMRIXZIYCOS-UHFFFAOYSA-N 1 0 467.351 4.337 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164836725 720580523 /nfs/dbraw/zinc/58/05/23/720580523.db2.gz GPIYRUCKXLSWTF-PMVMPFDFSA-N 1 0 451.018 4.295 20 0 JIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736106 720589177 /nfs/dbraw/zinc/58/91/77/720589177.db2.gz CJIWYGHJVNDWPH-UHFFFAOYSA-N 1 0 474.634 4.360 20 0 JIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3cc(OCc4ccccc4)ccc31)CC2 ZINC001164738263 720592442 /nfs/dbraw/zinc/59/24/42/720592442.db2.gz BMHPWAAKFMKYIW-UHFFFAOYSA-N 1 0 454.578 4.064 20 0 JIADRO Clc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164746269 720593771 /nfs/dbraw/zinc/59/37/71/720593771.db2.gz WMNSLFOEXGYOEP-UHFFFAOYSA-N 1 0 459.381 4.431 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838720 720610722 /nfs/dbraw/zinc/61/07/22/720610722.db2.gz KZXHXFRLAOJNNE-FUHIMQAGSA-N 1 0 450.965 4.127 20 0 JIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842851 720633558 /nfs/dbraw/zinc/63/35/58/720633558.db2.gz VWGHEDSXSHZVNR-QHAWAJNXSA-N 1 0 452.006 4.075 20 0 JIADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164836209 720636627 /nfs/dbraw/zinc/63/66/27/720636627.db2.gz FHWDEOIHJVDPLP-FKCDAAJZSA-N 1 0 474.653 4.267 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839273 720638308 /nfs/dbraw/zinc/63/83/08/720638308.db2.gz NBXOPJNMQGNNOI-HRCADAONSA-N 1 0 460.356 4.387 20 0 JIADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737775 720660762 /nfs/dbraw/zinc/66/07/62/720660762.db2.gz GXQJGEZYIIAPNN-QZTJIDSGSA-N 1 0 476.943 4.221 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164838166 720706184 /nfs/dbraw/zinc/70/61/84/720706184.db2.gz GZVBKYNIRAVXIA-INIZCTEOSA-N 1 0 454.974 4.224 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164841770 720722124 /nfs/dbraw/zinc/72/21/24/720722124.db2.gz WUDCFOGQSUTJMN-HSZRJFAPSA-N 1 0 454.578 4.075 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164841771 720723283 /nfs/dbraw/zinc/72/32/83/720723283.db2.gz WUDCFOGQSUTJMN-QHCPKHFHSA-N 1 0 454.578 4.075 20 0 JIADRO c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164843114 720740466 /nfs/dbraw/zinc/74/04/66/720740466.db2.gz JCZGLAXMLBJIEK-UHFFFAOYSA-N 1 0 491.709 4.415 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744599 720826839 /nfs/dbraw/zinc/82/68/39/720826839.db2.gz VMRWFYVIYRRZPG-JQYIIUTOSA-N 1 0 465.605 4.268 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746596 720845334 /nfs/dbraw/zinc/84/53/34/720845334.db2.gz PBQBFQWXWGFCCB-PRVBGKCFSA-N 1 0 479.632 4.192 20 0 JIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739513 720850188 /nfs/dbraw/zinc/85/01/88/720850188.db2.gz ATZGSPJJWFZNTR-YPAWHYETSA-N 1 0 464.017 4.076 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746826 720861679 /nfs/dbraw/zinc/86/16/79/720861679.db2.gz GPSCXHPMSMXWNG-WAOWUJCRSA-N 1 0 470.980 4.007 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164861538 720861913 /nfs/dbraw/zinc/86/19/13/720861913.db2.gz XXSOLPXLHPKDSK-JPYJTQIMSA-N 1 0 470.976 4.263 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC[C@@H]2C1 ZINC001164852607 720866970 /nfs/dbraw/zinc/86/69/70/720866970.db2.gz DQLHWFOJBNDVMA-IEBWSBKVSA-N 1 0 459.015 4.185 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750073 720868107 /nfs/dbraw/zinc/86/81/07/720868107.db2.gz ITGDKARQQCJMPG-ATIYNZHBSA-N 1 0 485.028 4.062 20 0 JIADRO CSc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748583 720870386 /nfs/dbraw/zinc/87/03/86/720870386.db2.gz FYPPRJKXDXYYMI-WMZHIEFXSA-N 1 0 460.047 4.002 20 0 JIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753946 720871756 /nfs/dbraw/zinc/87/17/56/720871756.db2.gz QKQNPSCKXAOPGI-PGRDOPGGSA-N 1 0 498.405 4.478 20 0 JIADRO Cc1sc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164748551 720875614 /nfs/dbraw/zinc/87/56/14/720875614.db2.gz FWRWMZCZNZIHKV-ATIYNZHBSA-N 1 0 463.651 4.458 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164863116 720876352 /nfs/dbraw/zinc/87/63/52/720876352.db2.gz SNTWTLBHYOWVJE-ZWKOTPCHSA-N 1 0 458.653 4.210 20 0 JIADRO Clc1ccnc2c1ccnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747262 720876549 /nfs/dbraw/zinc/87/65/49/720876549.db2.gz AYJCGKZUBTUZKC-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO c1ccc(Oc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754565 720878027 /nfs/dbraw/zinc/87/80/27/720878027.db2.gz SAWBGYDYHFUANM-YWEHKCAJSA-N 1 0 471.605 4.419 20 0 JIADRO Clc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750104 720878646 /nfs/dbraw/zinc/87/86/46/720878646.db2.gz ITJKOGBQNBZLCT-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752960 720881537 /nfs/dbraw/zinc/88/15/37/720881537.db2.gz NRFHZRJEITWFMH-IBVKSMDESA-N 1 0 484.044 4.045 20 0 JIADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752955 720881577 /nfs/dbraw/zinc/88/15/77/720881577.db2.gz NRFHZRJEITWFMH-FNZWTVRRSA-N 1 0 484.044 4.045 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)CC[C@H]2C1 ZINC001164857600 720881739 /nfs/dbraw/zinc/88/17/39/720881739.db2.gz KASKSPXAKCAHJD-RBBKRZOGSA-N 1 0 464.635 4.409 20 0 JIADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755936 720882327 /nfs/dbraw/zinc/88/23/27/720882327.db2.gz NMQMOQPKJIPYHC-CPJSRVTESA-N 1 0 467.017 4.070 20 0 JIADRO CSc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCC2 ZINC001164753324 720887736 /nfs/dbraw/zinc/88/77/36/720887736.db2.gz GLBPSFNLTTZZOY-WXVAWEFUSA-N 1 0 479.694 4.227 20 0 JIADRO COc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164754511 720888514 /nfs/dbraw/zinc/88/85/14/720888514.db2.gz JCRODQWUKPBBAR-GBXCKJPGSA-N 1 0 492.998 4.439 20 0 JIADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755663 720889980 /nfs/dbraw/zinc/88/99/80/720889980.db2.gz MKRXWGDRDLYJOV-FGCOXFRFSA-N 1 0 460.981 4.013 20 0 JIADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752608 720892049 /nfs/dbraw/zinc/89/20/49/720892049.db2.gz FLGMQBNAUGZTAE-WMZHIEFXSA-N 1 0 477.987 4.012 20 0 JIADRO Clc1cccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc12 ZINC001164755387 720893793 /nfs/dbraw/zinc/89/37/93/720893793.db2.gz LUJSOLDSCHZNBE-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)CC1 ZINC001164861754 720894825 /nfs/dbraw/zinc/89/48/25/720894825.db2.gz YNTVVTQWWLFKKH-UHFFFAOYSA-N 1 0 487.982 4.184 20 0 JIADRO COc1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750932 720899792 /nfs/dbraw/zinc/89/97/92/720899792.db2.gz CGTJOKQKGIKQOR-CUBQBAPOSA-N 1 0 458.606 4.394 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750038 720908591 /nfs/dbraw/zinc/90/85/91/720908591.db2.gz IUWFYEWTFAFXHT-XCZPVHLTSA-N 1 0 455.606 4.294 20 0 JIADRO c1ccc(Cc2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164754637 720920707 /nfs/dbraw/zinc/92/07/07/720920707.db2.gz WOJAYRHTYJBURN-GGXMVOPNSA-N 1 0 469.633 4.218 20 0 JIADRO CC(C)Sc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751421 720924148 /nfs/dbraw/zinc/92/41/48/720924148.db2.gz MIIBERKDCWGXQA-RCZVLFRGSA-N 1 0 453.656 4.127 20 0 JIADRO CCc1nc2sccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753121 720927643 /nfs/dbraw/zinc/92/76/43/720927643.db2.gz QFJVUXBOGTVYDV-LVXARBLLSA-N 1 0 463.651 4.404 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164746488 720934853 /nfs/dbraw/zinc/93/48/53/720934853.db2.gz AYQPWWIOJCEZNO-YADARESESA-N 1 0 476.452 4.496 20 0 JIADRO NC(=S)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164748532 720938394 /nfs/dbraw/zinc/93/83/94/720938394.db2.gz GTUVPIMKPIUFPT-FNZWTVRRSA-N 1 0 493.702 4.081 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)[C@@H]2C ZINC001164856170 720943468 /nfs/dbraw/zinc/94/34/68/720943468.db2.gz CBHKWKPJLXCRLX-QGZVFWFLSA-N 1 0 465.005 4.146 20 0 JIADRO CCOC(=O)c1ccc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)n1 ZINC001164863572 720993675 /nfs/dbraw/zinc/99/36/75/720993675.db2.gz WPDVNNJHCNLBOK-CQSZACIVSA-N 1 0 455.937 4.075 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164759409 721017045 /nfs/dbraw/zinc/01/70/45/721017045.db2.gz MGTNGUAGWQULSW-URBBEOKESA-N 1 0 477.653 4.056 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@]5(C[C@H](OCc6ccccn6)CO5)C4)ccc3C2)cc1 ZINC001164763733 721027528 /nfs/dbraw/zinc/02/75/28/721027528.db2.gz KTTWXALMSCJXGI-WNJJXGMVSA-N 1 0 470.617 4.380 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C[C@H]3C2)cn1 ZINC001164774060 721100449 /nfs/dbraw/zinc/10/04/49/721100449.db2.gz YTILLWJTXIMPAM-ZIAGYGMSSA-N 1 0 451.789 4.282 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864748 721109602 /nfs/dbraw/zinc/10/96/02/721109602.db2.gz GPNBRGAOVLANFL-ZEQRLZLVSA-N 1 0 451.574 4.480 20 0 JIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863494 721109741 /nfs/dbraw/zinc/10/97/41/721109741.db2.gz CKPYGFDDPSJNSJ-UXHICEINSA-N 1 0 471.939 4.217 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164770612 721144544 /nfs/dbraw/zinc/14/45/44/721144544.db2.gz RKSWJHPAMVCBBK-CABCVRRESA-N 1 0 467.351 4.173 20 0 JIADRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164877570 721177989 /nfs/dbraw/zinc/17/79/89/721177989.db2.gz OQWMZWHQOKJSCG-DNQXCXABSA-N 1 0 464.013 4.212 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871120 721183880 /nfs/dbraw/zinc/18/38/80/721183880.db2.gz DUSKRAJWDFFPDP-TZIWHRDSSA-N 1 0 451.958 4.105 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871117 721185033 /nfs/dbraw/zinc/18/50/33/721185033.db2.gz DUSKRAJWDFFPDP-CTNGQTDRSA-N 1 0 451.958 4.105 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3C2)cn1 ZINC001164770956 721227444 /nfs/dbraw/zinc/22/74/44/721227444.db2.gz PIZNXGHKXPZWMT-RBUKOAKNSA-N 1 0 458.944 4.034 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C[C@@H]3C2)cn1 ZINC001164760098 721233322 /nfs/dbraw/zinc/23/33/22/721233322.db2.gz CEVUOKKJABVTTD-IRXDYDNUSA-N 1 0 461.372 4.281 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164767891 721241910 /nfs/dbraw/zinc/24/19/10/721241910.db2.gz WWMDTBYFNOJDIT-WOJBJXKFSA-N 1 0 452.990 4.177 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164761393 721244804 /nfs/dbraw/zinc/24/48/04/721244804.db2.gz HYDRFOVKHDQYTK-OALUTQOASA-N 1 0 488.970 4.042 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccccc5F)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164768833 721246932 /nfs/dbraw/zinc/24/69/32/721246932.db2.gz YCUWAHAARMGIOL-IRXDYDNUSA-N 1 0 476.934 4.173 20 0 JIADRO F[C@]1(N2CC3(C2)CC[N@H+](CC2CC2)C3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164773092 721291338 /nfs/dbraw/zinc/29/13/38/721291338.db2.gz NAYLEELMPAAYOQ-DEOSSOPVSA-N 1 0 476.427 4.339 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1 ZINC001164881710 721299346 /nfs/dbraw/zinc/29/93/46/721299346.db2.gz XUNYOASOXFVJIB-QTJGBDASSA-N 1 0 468.667 4.448 20 0 JIADRO CSc1nc2ccccc2c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778205 721353748 /nfs/dbraw/zinc/35/37/48/721353748.db2.gz KYADOUXYUQBMAC-XMMPIXPASA-N 1 0 453.612 4.076 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4sc5c(c43)CCC5)C2)C1 ZINC001164781491 721365859 /nfs/dbraw/zinc/36/58/59/721365859.db2.gz JNJHUAWHBKBWSN-RUZDIDTESA-N 1 0 467.639 4.212 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892851 721398676 /nfs/dbraw/zinc/39/86/76/721398676.db2.gz TZWMXTBLKYQNLM-URXFXBBRSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C3)O2)CC1 ZINC001164895770 721443483 /nfs/dbraw/zinc/44/34/83/721443483.db2.gz PHXLHWQZEFCRNH-XUZZJYLKSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888689 721445750 /nfs/dbraw/zinc/44/57/50/721445750.db2.gz AJROKAURMDLZBS-KXBFYZLASA-N 1 0 482.925 4.064 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164786717 721450695 /nfs/dbraw/zinc/45/06/95/721450695.db2.gz NJQMNHWWVJUKNF-FQEVSTJZSA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164788564 721452081 /nfs/dbraw/zinc/45/20/81/721452081.db2.gz RJSFSPPLGSCPCH-QGZVFWFLSA-N 1 0 491.048 4.131 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885505 721453638 /nfs/dbraw/zinc/45/36/38/721453638.db2.gz FAJDLFSAZZVLOR-YADARESESA-N 1 0 483.047 4.314 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164790305 721457373 /nfs/dbraw/zinc/45/73/73/721457373.db2.gz YAQTVSITQKKXBH-KRWDZBQOSA-N 1 0 451.036 4.079 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164782797 721457886 /nfs/dbraw/zinc/45/78/86/721457886.db2.gz CHAYITNEGZMNHC-IBGZPJMESA-N 1 0 475.033 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164786870 721458811 /nfs/dbraw/zinc/45/88/11/721458811.db2.gz QCRDZBKRBOSSFX-FQEVSTJZSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164790605 721467032 /nfs/dbraw/zinc/46/70/32/721467032.db2.gz SATORXJVHBAXTN-VWLOTQADSA-N 1 0 465.638 4.395 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164790645 721468680 /nfs/dbraw/zinc/46/86/80/721468680.db2.gz TVBZEWJPCTVZMO-XMMPIXPASA-N 1 0 464.654 4.494 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164892236 721470388 /nfs/dbraw/zinc/47/03/88/721470388.db2.gz PNWTXTFTJDRBIP-RDGATRHJSA-N 1 0 460.626 4.463 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164789528 721471231 /nfs/dbraw/zinc/47/12/31/721471231.db2.gz NOFXODLBUXWQCQ-HXUWFJFHSA-N 1 0 456.656 4.086 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164786255 721471239 /nfs/dbraw/zinc/47/12/39/721471239.db2.gz ABPDLPOISCUOQK-NRFANRHFSA-N 1 0 457.590 4.116 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164789474 721471359 /nfs/dbraw/zinc/47/13/59/721471359.db2.gz NDSPRJPNBDUGGD-DEOSSOPVSA-N 1 0 468.617 4.325 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164796941 721501249 /nfs/dbraw/zinc/50/12/49/721501249.db2.gz ZTEFQGQNDDITPS-JOCHJYFZSA-N 1 0 469.939 4.211 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164906135 721584003 /nfs/dbraw/zinc/58/40/03/721584003.db2.gz YYGWPKGGHDBTTP-QHCPKHFHSA-N 1 0 487.576 4.309 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164810801 721589076 /nfs/dbraw/zinc/58/90/76/721589076.db2.gz WEWFUKKYASYGAN-UPRLRBBYSA-N 1 0 481.600 4.472 20 0 JIADRO O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164801243 721605796 /nfs/dbraw/zinc/60/57/96/721605796.db2.gz OTVIYCKCUOFHKH-XMMPIXPASA-N 1 0 453.974 4.085 20 0 JIADRO COCCN(C)c1nc(C2CCN(c3ncccc3C[NH+]3CCCC3)CC2)cc2c1ncn2C(C)C ZINC001165009035 721692949 /nfs/dbraw/zinc/69/29/49/721692949.db2.gz NHZRDNFRSSEWHM-UHFFFAOYSA-N 1 0 491.684 4.470 20 0 JIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907382 721705025 /nfs/dbraw/zinc/70/50/25/721705025.db2.gz RIWLCJTUKWDGAB-VWLOTQADSA-N 1 0 498.578 4.111 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164908565 721708661 /nfs/dbraw/zinc/70/86/61/721708661.db2.gz YAAUAPBTHHNOQU-IBGZPJMESA-N 1 0 450.946 4.181 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907332 721710072 /nfs/dbraw/zinc/71/00/72/721710072.db2.gz QZAOCTHQSUTQDY-FQEVSTJZSA-N 1 0 486.897 4.199 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908527 721717619 /nfs/dbraw/zinc/71/76/19/721717619.db2.gz XHWHVNUWGUSMGD-NRFANRHFSA-N 1 0 461.948 4.193 20 0 JIADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907674 721721357 /nfs/dbraw/zinc/72/13/57/721721357.db2.gz SMFJIGJQAUYYKG-VWLOTQADSA-N 1 0 464.564 4.363 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912615 721726778 /nfs/dbraw/zinc/72/67/78/721726778.db2.gz OWPWQRAKBRJPSD-DEOSSOPVSA-N 1 0 452.505 4.154 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165012280 721749991 /nfs/dbraw/zinc/74/99/91/721749991.db2.gz FEZMWJUIPTXGSI-UHFFFAOYSA-N 1 0 458.006 4.008 20 0 JIADRO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165026682 721808017 /nfs/dbraw/zinc/80/80/17/721808017.db2.gz RZCLBDYLXYBFTJ-NBHGPNQESA-N 1 0 468.001 4.432 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026152 721821349 /nfs/dbraw/zinc/82/13/49/721821349.db2.gz OFWCUYJWTFSIRI-QSFXBCCZSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@H]21 ZINC001165029542 721828479 /nfs/dbraw/zinc/82/84/79/721828479.db2.gz XDDLBCPHJVNABT-KODFZCBSSA-N 1 0 484.648 4.112 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3[nH]cc(Cl)c32)CC1 ZINC001165018312 721837834 /nfs/dbraw/zinc/83/78/34/721837834.db2.gz WWJOHGMLQXAABY-UHFFFAOYSA-N 1 0 450.370 4.383 20 0 JIADRO COc1cc2nc(C)nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2cc1OC ZINC001165022056 721841273 /nfs/dbraw/zinc/84/12/73/721841273.db2.gz OKIFILVMSCLPSS-UHFFFAOYSA-N 1 0 466.582 4.073 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ncn3Cc2ccccc2F)CC1 ZINC001165021216 721841878 /nfs/dbraw/zinc/84/18/78/721841878.db2.gz IGAUCSOMKSNSHO-UHFFFAOYSA-N 1 0 490.583 4.132 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)CC1 ZINC001165021259 721843586 /nfs/dbraw/zinc/84/35/86/721843586.db2.gz JSSMLGZYPGSUDO-HXUWFJFHSA-N 1 0 466.626 4.072 20 0 JIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164934008 721883904 /nfs/dbraw/zinc/88/39/04/721883904.db2.gz OXKMQFDIHZFXQP-LEWJYISDSA-N 1 0 450.961 4.074 20 0 JIADRO C[NH+](C)[C@H]1CCCN(c2ncnc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)C1 ZINC001165036527 721894867 /nfs/dbraw/zinc/89/48/67/721894867.db2.gz SKVCYEMCBPNTDV-INIZCTEOSA-N 1 0 456.587 4.063 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938970 721925466 /nfs/dbraw/zinc/92/54/66/721925466.db2.gz FARGFJWQMIEMSZ-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)CC3)C2)cc1 ZINC001164940734 721928153 /nfs/dbraw/zinc/92/81/53/721928153.db2.gz ZJTDYKXBEUSWKY-UHFFFAOYSA-N 1 0 450.961 4.472 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(NC(=O)c5ccccc5)n4)CC3)C2)cc1 ZINC001164939682 721932385 /nfs/dbraw/zinc/93/23/85/721932385.db2.gz OGNAVPYQIMJWOF-UHFFFAOYSA-N 1 0 471.605 4.217 20 0 JIADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165046635 721974153 /nfs/dbraw/zinc/97/41/53/721974153.db2.gz BSXFKZRAHLRCMF-XUVXKRRUSA-N 1 0 476.616 4.071 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)n1 ZINC001164961251 722051321 /nfs/dbraw/zinc/05/13/21/722051321.db2.gz WUAKSEMLRGQHGC-ROKPMTFOSA-N 1 0 480.682 4.450 20 0 JIADRO Clc1ccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960718 722061514 /nfs/dbraw/zinc/06/15/14/722061514.db2.gz JDCXDKHWJALGEI-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164981533 722143157 /nfs/dbraw/zinc/14/31/57/722143157.db2.gz PGFWIHUMBWGVAC-AVRDEDQJSA-N 1 0 469.948 4.184 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985560 722146324 /nfs/dbraw/zinc/14/63/24/722146324.db2.gz ZUTVREFUQIIBAH-PZJWPPBQSA-N 1 0 453.949 4.058 20 0 JIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164982780 722148260 /nfs/dbraw/zinc/14/82/60/722148260.db2.gz SLDBGFXUQRHAKE-KCWPFWIISA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972718 722154101 /nfs/dbraw/zinc/15/41/01/722154101.db2.gz JCJAIBCWEBXJQJ-UFHPHHKVSA-N 1 0 481.600 4.331 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971186 722155351 /nfs/dbraw/zinc/15/53/51/722155351.db2.gz BCIISJLWIWWSCG-PGRDOPGGSA-N 1 0 469.948 4.184 20 0 JIADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164997259 722205642 /nfs/dbraw/zinc/20/56/42/722205642.db2.gz XQXMGMPKOIQGKR-VWLOTQADSA-N 1 0 482.581 4.056 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000143 722250060 /nfs/dbraw/zinc/25/00/60/722250060.db2.gz DXTCVSGNFPKYJF-BKMJKUGQSA-N 1 0 452.599 4.123 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CCC2 ZINC001164999546 722252080 /nfs/dbraw/zinc/25/20/80/722252080.db2.gz BGLAZLUENIKKHC-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CCC2 ZINC001165001931 722254821 /nfs/dbraw/zinc/25/48/21/722254821.db2.gz JMSGOZVBBYKGLD-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CCC2 ZINC001165004351 722258170 /nfs/dbraw/zinc/25/81/70/722258170.db2.gz QKDXVVHXPZFGBV-UHFFFAOYSA-N 1 0 494.949 4.166 20 0 JIADRO C[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009760 722274057 /nfs/dbraw/zinc/27/40/57/722274057.db2.gz QZBNINKNHUCURZ-JHIRXSEKSA-N 1 0 497.643 4.438 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCC1 ZINC001492593510 1069334267 /nfs/dbraw/zinc/33/42/67/1069334267.db2.gz PROBQMDILCENID-UHFFFAOYSA-N 1 0 466.655 4.089 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC(C)(C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300661390 1069372927 /nfs/dbraw/zinc/37/29/27/1069372927.db2.gz SSGMKBDKTYWQCZ-PMACEKPBSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300662079 1069377034 /nfs/dbraw/zinc/37/70/34/1069377034.db2.gz ZQMWZKSONRUEHV-WOJBJXKFSA-N 1 0 473.687 4.318 20 0 JIADRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1-c1ccccc1 ZINC001354601459 1069383456 /nfs/dbraw/zinc/38/34/56/1069383456.db2.gz OMEWTEQGCBFVMW-UHFFFAOYSA-N 1 0 454.534 4.011 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001300670700 1069403307 /nfs/dbraw/zinc/40/33/07/1069403307.db2.gz VOWMDOUGGKECHL-XLIONFOSSA-N 1 0 499.603 4.221 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ncccc1C ZINC001300676694 1069425617 /nfs/dbraw/zinc/42/56/17/1069425617.db2.gz IFKMEJAZGJVBAW-UHFFFAOYSA-N 1 0 466.655 4.251 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001300676631 1069425657 /nfs/dbraw/zinc/42/56/57/1069425657.db2.gz HPZQMDNYZDNTFW-LEWJYISDSA-N 1 0 473.687 4.051 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359349504 1069426474 /nfs/dbraw/zinc/42/64/74/1069426474.db2.gz YKBKZHAKYUGRMB-ARCJKJJNSA-N 1 0 464.658 4.205 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359349506 1069426833 /nfs/dbraw/zinc/42/68/33/1069426833.db2.gz YKBKZHAKYUGRMB-NYPLXPLJSA-N 1 0 464.658 4.205 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@]3(CCOC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300677011 1069428409 /nfs/dbraw/zinc/42/84/09/1069428409.db2.gz REZORRUPXBXVQI-CPJSRVTESA-N 1 0 473.687 4.172 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359350823 1069431212 /nfs/dbraw/zinc/43/12/12/1069431212.db2.gz PGVRXFBWVQAOGP-GOSISDBHSA-N 1 0 491.080 4.106 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359351293 1069432469 /nfs/dbraw/zinc/43/24/69/1069432469.db2.gz FOGPLFRTZNIWIY-NRFANRHFSA-N 1 0 487.073 4.410 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)c2cccs2)CC1 ZINC001354633131 1069434704 /nfs/dbraw/zinc/43/47/04/1069434704.db2.gz RAJFKCGEMCLDMR-LJQANCHMSA-N 1 0 450.645 4.166 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353932 1069437596 /nfs/dbraw/zinc/43/75/96/1069437596.db2.gz SXCUKWIBGCVQMN-WIOPSUGQSA-N 1 0 480.701 4.224 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353931 1069437713 /nfs/dbraw/zinc/43/77/13/1069437713.db2.gz SXCUKWIBGCVQMN-RDGATRHJSA-N 1 0 480.701 4.224 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359354574 1069439486 /nfs/dbraw/zinc/43/94/86/1069439486.db2.gz RBXOZSYWDYDMTP-REWPJTCUSA-N 1 0 496.700 4.041 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300680584 1069444380 /nfs/dbraw/zinc/44/43/80/1069444380.db2.gz XFNJEULKHZFWNT-NHCUHLMSSA-N 1 0 473.687 4.316 20 0 JIADRO CC(=O)N1CCC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001359372966 1069476012 /nfs/dbraw/zinc/47/60/12/1069476012.db2.gz OKZVNOMINAAROK-XMMPIXPASA-N 1 0 496.700 4.078 20 0 JIADRO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001359377315 1069482338 /nfs/dbraw/zinc/48/23/38/1069482338.db2.gz XHVMGJBHRGTDSJ-REWPJTCUSA-N 1 0 472.703 4.070 20 0 JIADRO CC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359377606 1069482875 /nfs/dbraw/zinc/48/28/75/1069482875.db2.gz HFYFNSOSTXKJEB-UHFFFAOYSA-N 1 0 487.092 4.236 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359378225 1069483512 /nfs/dbraw/zinc/48/35/12/1069483512.db2.gz GRSINSHLNPUNFD-UHFFFAOYSA-N 1 0 498.716 4.466 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001359379723 1069485170 /nfs/dbraw/zinc/48/51/70/1069485170.db2.gz YHRLFKSHWKKLMJ-UHFFFAOYSA-N 1 0 491.080 4.078 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC001359380366 1069485191 /nfs/dbraw/zinc/48/51/91/1069485191.db2.gz KLGAHRUZSPIGAR-STWLZBDKSA-N 1 0 498.691 4.188 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359386529 1069495199 /nfs/dbraw/zinc/49/51/99/1069495199.db2.gz GSSNUOFVLFOAFF-QHCPKHFHSA-N 1 0 496.700 4.303 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001359385947 1069493467 /nfs/dbraw/zinc/49/34/67/1069493467.db2.gz PPAIIOGYECBPTB-MSOLQXFVSA-N 1 0 491.055 4.305 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001359386863 1069495681 /nfs/dbraw/zinc/49/56/81/1069495681.db2.gz PSXONZXOXBZPKT-HSZRJFAPSA-N 1 0 466.674 4.357 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC12CCCCC2 ZINC001359392536 1069497900 /nfs/dbraw/zinc/49/79/00/1069497900.db2.gz VOWNDGWQAPDWQV-HSZRJFAPSA-N 1 0 480.701 4.369 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC12CCCCC2 ZINC001359391979 1069497997 /nfs/dbraw/zinc/49/79/97/1069497997.db2.gz HWDOOEMQIPQOMC-FCHUYYIVSA-N 1 0 472.722 4.359 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[NH+](C(C)C)C(C)C)CC12CCCCC2 ZINC001359394492 1069499041 /nfs/dbraw/zinc/49/90/41/1069499041.db2.gz XBOVAHOPZSKSIB-UHFFFAOYSA-N 1 0 486.730 4.421 20 0 JIADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001359396125 1069500913 /nfs/dbraw/zinc/50/09/13/1069500913.db2.gz RBFYBCFAEFDKSJ-DEOSSOPVSA-N 1 0 496.700 4.043 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001359396495 1069501419 /nfs/dbraw/zinc/50/14/19/1069501419.db2.gz CMYPIAJCDJIUJW-OAQYLSRUSA-N 1 0 484.714 4.200 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359413186 1069533502 /nfs/dbraw/zinc/53/35/02/1069533502.db2.gz SELRQBMUXADBLG-KXTRFFEISA-N 1 0 458.695 4.330 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001359414223 1069537038 /nfs/dbraw/zinc/53/70/38/1069537038.db2.gz CPMFIVYQZBTLDH-UHFFFAOYSA-N 1 0 496.700 4.089 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359416376 1069541747 /nfs/dbraw/zinc/54/17/47/1069541747.db2.gz DINWWYPBEGNNOJ-CVDCTZTESA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001359416494 1069541765 /nfs/dbraw/zinc/54/17/65/1069541765.db2.gz GMHWIIMWAQAIBC-QIJUGHKUSA-N 1 0 491.080 4.153 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001359418727 1069546111 /nfs/dbraw/zinc/54/61/11/1069546111.db2.gz YFAPLZQDGGZVEB-DEOSSOPVSA-N 1 0 466.674 4.224 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCCC2)CC1 ZINC001359425907 1069551079 /nfs/dbraw/zinc/55/10/79/1069551079.db2.gz PCSHCZGBNCEPIC-QFIPXVFZSA-N 1 0 482.673 4.016 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359426739 1069553079 /nfs/dbraw/zinc/55/30/79/1069553079.db2.gz SXUWTPSOEDIIJN-UHFFFAOYSA-N 1 0 468.690 4.466 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359433358 1069560026 /nfs/dbraw/zinc/56/00/26/1069560026.db2.gz HDARGMAPNMLFBI-AVRDEDQJSA-N 1 0 487.073 4.315 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359441197 1069573368 /nfs/dbraw/zinc/57/33/68/1069573368.db2.gz BGOYTGSOJFUORR-FGZHOGPDSA-N 1 0 480.701 4.364 20 0 JIADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359486161 1069665652 /nfs/dbraw/zinc/66/56/52/1069665652.db2.gz VUEGYZJCJMCIFG-SFTDATJTSA-N 1 0 489.730 4.037 20 0 JIADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001359490908 1069699124 /nfs/dbraw/zinc/69/91/24/1069699124.db2.gz DPUDVBIJJOBZFP-VWLOTQADSA-N 1 0 494.728 4.318 20 0 JIADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359491009 1069700512 /nfs/dbraw/zinc/70/05/12/1069700512.db2.gz GWUBWDRHMOHSMD-RUZDIDTESA-N 1 0 492.712 4.094 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001359512569 1069795447 /nfs/dbraw/zinc/79/54/47/1069795447.db2.gz HSYJPZFXUNQCAG-FQEVSTJZSA-N 1 0 457.638 4.241 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCc1cc(F)cc(F)c1 ZINC001359516150 1069802479 /nfs/dbraw/zinc/80/24/79/1069802479.db2.gz RLPKWRMQBNGEKJ-UHFFFAOYSA-N 1 0 489.533 4.188 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359527530 1069817348 /nfs/dbraw/zinc/81/73/48/1069817348.db2.gz PCEFGLHWFNLFMY-UHFFFAOYSA-N 1 0 480.701 4.156 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359529604 1069819938 /nfs/dbraw/zinc/81/99/38/1069819938.db2.gz ADYMYINEFXBVQI-OAQYLSRUSA-N 1 0 496.700 4.276 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001359534942 1069828289 /nfs/dbraw/zinc/82/82/89/1069828289.db2.gz HDENNQARKJUHDY-JOCHJYFZSA-N 1 0 466.674 4.106 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001359534943 1069828176 /nfs/dbraw/zinc/82/81/76/1069828176.db2.gz HDENNQARKJUHDY-QFIPXVFZSA-N 1 0 466.674 4.106 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001359539267 1069836086 /nfs/dbraw/zinc/83/60/86/1069836086.db2.gz AEAWQCXNQXHZRJ-UHFFFAOYSA-N 1 0 458.695 4.160 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(C)(C)c1ccccc1F ZINC001359539571 1069836688 /nfs/dbraw/zinc/83/66/88/1069836688.db2.gz NHDAQRIJAOXLCK-UHFFFAOYSA-N 1 0 457.638 4.285 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1sccc1Br ZINC001359541426 1069838765 /nfs/dbraw/zinc/83/87/65/1069838765.db2.gz ZFVSOORFZOFDOO-OAHLLOKOSA-N 1 0 452.466 4.414 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(C)(C)c1ccccc1F ZINC001359541406 1069838919 /nfs/dbraw/zinc/83/89/19/1069838919.db2.gz YRQITVBADKHYFF-HXUWFJFHSA-N 1 0 457.638 4.142 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(C)CCCS1 ZINC001359541374 1069838931 /nfs/dbraw/zinc/83/89/31/1069838931.db2.gz XWLRRBMEUCVKIL-OAQYLSRUSA-N 1 0 477.641 4.243 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1(C)C ZINC001300794359 1069845328 /nfs/dbraw/zinc/84/53/28/1069845328.db2.gz JSCSUWRVFXUWEA-YLJYHZDGSA-N 1 0 493.494 4.172 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)O)CC1 ZINC001492595564 1069847064 /nfs/dbraw/zinc/84/70/64/1069847064.db2.gz DFUSDJHLWXMCIB-UHFFFAOYSA-N 1 0 490.471 4.171 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ncnn2-c2ccccc2)CC1 ZINC001359547279 1069852031 /nfs/dbraw/zinc/85/20/31/1069852031.db2.gz JBZKHNNBIJXFBA-UHFFFAOYSA-N 1 0 464.662 4.054 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001359546546 1069850854 /nfs/dbraw/zinc/85/08/54/1069850854.db2.gz IZIYFYPNRZFDQG-FQEVSTJZSA-N 1 0 460.667 4.113 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001359546756 1069851167 /nfs/dbraw/zinc/85/11/67/1069851167.db2.gz OYRNCGVMQOVRKV-LJQANCHMSA-N 1 0 481.563 4.287 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001359547349 1069852519 /nfs/dbraw/zinc/85/25/19/1069852519.db2.gz LUSUOJXRYBIUGW-XMMPIXPASA-N 1 0 479.591 4.239 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCC(F)(F)F)CC1 ZINC001359547007 1069851571 /nfs/dbraw/zinc/85/15/71/1069851571.db2.gz XZSIZPBEOURDDG-QGZVFWFLSA-N 1 0 463.614 4.026 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001359546987 1069851614 /nfs/dbraw/zinc/85/16/14/1069851614.db2.gz XIUMFSCOYQPIDY-NRFANRHFSA-N 1 0 473.637 4.339 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCO2)CC1 ZINC001359547027 1069851625 /nfs/dbraw/zinc/85/16/25/1069851625.db2.gz ZBIUWSCVZBRHRW-HXUWFJFHSA-N 1 0 476.463 4.445 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 ZINC001359547493 1069852986 /nfs/dbraw/zinc/85/29/86/1069852986.db2.gz RQJNMFJTPHGXFU-UHFFFAOYSA-N 1 0 470.008 4.362 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 ZINC001359547622 1069853342 /nfs/dbraw/zinc/85/33/42/1069853342.db2.gz WPGNKVUEGQRBCI-UHFFFAOYSA-N 1 0 483.567 4.028 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCSC2)CC1 ZINC001359548487 1069855319 /nfs/dbraw/zinc/85/53/19/1069855319.db2.gz COYSTCDIGIUJFZ-LJQANCHMSA-N 1 0 461.651 4.450 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCn2cc(Br)cn2)CC1 ZINC001359549524 1069857380 /nfs/dbraw/zinc/85/73/80/1069857380.db2.gz RZVZQUDVDDCRHV-UHFFFAOYSA-N 1 0 492.853 4.178 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2CCc2cc(Br)ccc2F)CC1 ZINC001359549714 1069857591 /nfs/dbraw/zinc/85/75/91/1069857591.db2.gz ZEWKZGPSKONXKP-UHFFFAOYSA-N 1 0 487.421 4.405 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001359550222 1069858428 /nfs/dbraw/zinc/85/84/28/1069858428.db2.gz UGPBGNWLBVMVKN-UHFFFAOYSA-N 1 0 472.559 4.446 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001359550250 1069858524 /nfs/dbraw/zinc/85/85/24/1069858524.db2.gz VJKBGIIGGHUGOA-LJQANCHMSA-N 1 0 466.120 4.291 20 0 JIADRO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001359553006 1069862643 /nfs/dbraw/zinc/86/26/43/1069862643.db2.gz KNUZDTFHSIFRDZ-UHFFFAOYSA-N 1 0 488.080 4.105 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)C1 ZINC001359556761 1069873201 /nfs/dbraw/zinc/87/32/01/1069873201.db2.gz WGGXIHWTZWFXGP-MSOLQXFVSA-N 1 0 486.583 4.020 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCCCCC3)C[C@@H]21 ZINC001359562132 1069886989 /nfs/dbraw/zinc/88/69/89/1069886989.db2.gz PLAJGGHDWIQWGF-SFTDATJTSA-N 1 0 474.694 4.287 20 0 JIADRO CC(C)(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001359578775 1069992199 /nfs/dbraw/zinc/99/21/99/1069992199.db2.gz RULJWLHEUHSPFG-HXUWFJFHSA-N 1 0 456.635 4.061 20 0 JIADRO CC(C)(C)OCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359583636 1070011168 /nfs/dbraw/zinc/01/11/68/1070011168.db2.gz YIIBXPYAHSTNMZ-UHFFFAOYSA-N 1 0 480.426 4.194 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359589262 1070025839 /nfs/dbraw/zinc/02/58/39/1070025839.db2.gz ICAPDNICXFLXND-UUWRZZSWSA-N 1 0 493.668 4.149 20 0 JIADRO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC001359594303 1070040982 /nfs/dbraw/zinc/04/09/82/1070040982.db2.gz VSGUORUHNKOMCL-IBGZPJMESA-N 1 0 484.611 4.195 20 0 JIADRO CC(C)(Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001359597796 1070052704 /nfs/dbraw/zinc/05/27/04/1070052704.db2.gz DHJTZHXMLVCUFX-OAQYLSRUSA-N 1 0 472.722 4.436 20 0 JIADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001359597891 1070053064 /nfs/dbraw/zinc/05/30/64/1070053064.db2.gz HNTZEDASMLTAFH-UHFFFAOYSA-N 1 0 450.672 4.190 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359597895 1070053131 /nfs/dbraw/zinc/05/31/31/1070053131.db2.gz HQECAXWJOVAJEN-NRFANRHFSA-N 1 0 482.673 4.418 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)c2ccccn2)CC1 ZINC001359598117 1070054465 /nfs/dbraw/zinc/05/44/65/1070054465.db2.gz OSZAIPKJOGKRJJ-UHFFFAOYSA-N 1 0 466.605 4.290 20 0 JIADRO CC(C)(Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001359598324 1070054849 /nfs/dbraw/zinc/05/48/49/1070054849.db2.gz WUMMWCJFVMMRKX-UHFFFAOYSA-N 1 0 483.554 4.024 20 0 JIADRO CC(C)(O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359599005 1070056234 /nfs/dbraw/zinc/05/62/34/1070056234.db2.gz VUMHHVKXJFAECH-UHFFFAOYSA-N 1 0 464.452 4.179 20 0 JIADRO CC(C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359604654 1070064118 /nfs/dbraw/zinc/06/41/18/1070064118.db2.gz ANRCGEIGPGGFOM-HXUWFJFHSA-N 1 0 476.065 4.374 20 0 JIADRO CC(C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359602917 1070062937 /nfs/dbraw/zinc/06/29/37/1070062937.db2.gz ZLGRRUNWAXDTSO-INIZCTEOSA-N 1 0 452.430 4.335 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001359615458 1070083202 /nfs/dbraw/zinc/08/32/02/1070083202.db2.gz OHUFQNJGOZSNJV-QHCPKHFHSA-N 1 0 470.637 4.072 20 0 JIADRO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359617573 1070088204 /nfs/dbraw/zinc/08/82/04/1070088204.db2.gz NLHQFSZYOHGXJP-OAQYLSRUSA-N 1 0 470.637 4.043 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCCC2)C1 ZINC001359619605 1070090925 /nfs/dbraw/zinc/09/09/25/1070090925.db2.gz APZTUMVDCUZFMC-FQEVSTJZSA-N 1 0 473.065 4.216 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001359623622 1070103609 /nfs/dbraw/zinc/10/36/09/1070103609.db2.gz ZWWPXBZTJPFZFN-URXFXBBRSA-N 1 0 480.701 4.055 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359622882 1070099964 /nfs/dbraw/zinc/09/99/64/1070099964.db2.gz LCQLLDPYJPRVPF-HXUWFJFHSA-N 1 0 490.643 4.007 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359622831 1070100418 /nfs/dbraw/zinc/10/04/18/1070100418.db2.gz KGZUTXNOCPCCGU-HSZRJFAPSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359622972 1070101155 /nfs/dbraw/zinc/10/11/55/1070101155.db2.gz MHYUIVULIORFQF-REWPJTCUSA-N 1 0 466.674 4.101 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359623751 1070104877 /nfs/dbraw/zinc/10/48/77/1070104877.db2.gz DRSBTAFLFMGADO-UHFFFAOYSA-N 1 0 473.065 4.214 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359628055 1070130579 /nfs/dbraw/zinc/13/05/79/1070130579.db2.gz WHHQGGVWKJGYEG-YADHBBJMSA-N 1 0 484.664 4.337 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359628319 1070132525 /nfs/dbraw/zinc/13/25/25/1070132525.db2.gz BBUQYEHDMUKNIK-VWNXMTODSA-N 1 0 472.722 4.264 20 0 JIADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359639211 1070173085 /nfs/dbraw/zinc/17/30/85/1070173085.db2.gz VPWKNUNDJSEAQQ-LEWJYISDSA-N 1 0 487.092 4.462 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492596147 1070179964 /nfs/dbraw/zinc/17/99/64/1070179964.db2.gz ODBVKTWGQGADDG-UHFFFAOYSA-N 1 0 468.646 4.043 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359648715 1070207517 /nfs/dbraw/zinc/20/75/17/1070207517.db2.gz ZXECGWTVTTYJFF-IERDGZPVSA-N 1 0 482.492 4.241 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001359655586 1070227102 /nfs/dbraw/zinc/22/71/02/1070227102.db2.gz YTNPHHRZDNWAEN-NRFANRHFSA-N 1 0 494.728 4.052 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359655747 1070229239 /nfs/dbraw/zinc/22/92/39/1070229239.db2.gz BWBIJGPLRMSNMY-WPFOTENUSA-N 1 0 488.721 4.161 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359656978 1070239899 /nfs/dbraw/zinc/23/98/99/1070239899.db2.gz ZEVQMGARJCEMTN-FQEVSTJZSA-N 1 0 484.664 4.336 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001359658974 1070262517 /nfs/dbraw/zinc/26/25/17/1070262517.db2.gz MZNDLTKYPSTVIC-RDGATRHJSA-N 1 0 483.701 4.462 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001359659082 1070263600 /nfs/dbraw/zinc/26/36/00/1070263600.db2.gz PELCPIGDTKUSQR-VXKWHMMOSA-N 1 0 494.105 4.122 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660783 1070273675 /nfs/dbraw/zinc/27/36/75/1070273675.db2.gz XHQDOIDGXSWPDI-GGAORHGYSA-N 1 0 499.704 4.477 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359663155 1070287555 /nfs/dbraw/zinc/28/75/55/1070287555.db2.gz LNRFXNRSUPUUAM-NHCUHLMSSA-N 1 0 476.710 4.433 20 0 JIADRO CC(C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001359665490 1070296205 /nfs/dbraw/zinc/29/62/05/1070296205.db2.gz ASGKIYJMPOBWML-MXEMCNAFSA-N 1 0 460.667 4.158 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001359669457 1070310219 /nfs/dbraw/zinc/31/02/19/1070310219.db2.gz MHVGEKKPUIPJDY-GOSISDBHSA-N 1 0 454.648 4.039 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CCO2)o1 ZINC001359675348 1070328265 /nfs/dbraw/zinc/32/82/65/1070328265.db2.gz KDIHKBVCVFZKAT-PMACEKPBSA-N 1 0 473.666 4.216 20 0 JIADRO CC(C)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359679088 1070334336 /nfs/dbraw/zinc/33/43/36/1070334336.db2.gz XEKNQHFXEZBMPS-NRFANRHFSA-N 1 0 462.589 4.265 20 0 JIADRO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679661 1070335046 /nfs/dbraw/zinc/33/50/46/1070335046.db2.gz PBPDZUUWGYZCCC-FGZHOGPDSA-N 1 0 474.719 4.093 20 0 JIADRO CC(C)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359679797 1070335687 /nfs/dbraw/zinc/33/56/87/1070335687.db2.gz URRQSROOQOCDQR-UHFFFAOYSA-N 1 0 451.034 4.104 20 0 JIADRO CC(C)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359692767 1070352634 /nfs/dbraw/zinc/35/26/34/1070352634.db2.gz XSBOHFHPCMEMBL-UHFFFAOYSA-N 1 0 466.674 4.081 20 0 JIADRO CC(C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359698011 1070358839 /nfs/dbraw/zinc/35/88/39/1070358839.db2.gz LDWPQMWFNRMHEW-XMMPIXPASA-N 1 0 453.675 4.344 20 0 JIADRO CC(C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359698609 1070359746 /nfs/dbraw/zinc/35/97/46/1070359746.db2.gz FOLXVAGFMRPHFQ-LJQANCHMSA-N 1 0 466.552 4.045 20 0 JIADRO CC(C)c1nnc(N2CCC=C(Br)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001359704081 1070369719 /nfs/dbraw/zinc/36/97/19/1070369719.db2.gz AHGBUGYJPHPHNJ-LJQANCHMSA-N 1 0 473.463 4.101 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001359708721 1070377533 /nfs/dbraw/zinc/37/75/33/1070377533.db2.gz VTJKZMOJOOVGDR-GOSISDBHSA-N 1 0 486.652 4.460 20 0 JIADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359711635 1070379733 /nfs/dbraw/zinc/37/97/33/1070379733.db2.gz NKKDQMKBYTVYFO-QTJGBDASSA-N 1 0 487.714 4.106 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001315474088 1064318146 /nfs/dbraw/zinc/31/81/46/1064318146.db2.gz JVGDISHGFBVVLT-HXUWFJFHSA-N 1 0 464.614 4.114 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315474481 1064320364 /nfs/dbraw/zinc/32/03/64/1064320364.db2.gz IBUNTKXPJBOBED-GGAORHGYSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCCCC2)cc1O ZINC001315476312 1064327407 /nfs/dbraw/zinc/32/74/07/1064327407.db2.gz YHPYDHLHVHRKCE-UHFFFAOYSA-N 1 0 464.614 4.264 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1O ZINC001315479385 1064336390 /nfs/dbraw/zinc/33/63/90/1064336390.db2.gz JCRYEQXDTAJWDC-SFHVURJKSA-N 1 0 484.670 4.105 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001315480308 1064339241 /nfs/dbraw/zinc/33/92/41/1064339241.db2.gz IDYMDGCNCAUGHE-OAQYLSRUSA-N 1 0 483.682 4.385 20 0 JIADRO COc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315482803 1064347334 /nfs/dbraw/zinc/34/73/34/1064347334.db2.gz GBCVHYRCOXWFOB-UHFFFAOYSA-N 1 0 496.681 4.179 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001315483147 1064347885 /nfs/dbraw/zinc/34/78/85/1064347885.db2.gz KXZMTKBUDSCZCK-OFNKIYASSA-N 1 0 498.672 4.479 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315505316 1064418701 /nfs/dbraw/zinc/41/87/01/1064418701.db2.gz RYPJGVKNYOBBBU-JOCHJYFZSA-N 1 0 486.680 4.069 20 0 JIADRO COc1ccc(Cn2c(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508066 1064430981 /nfs/dbraw/zinc/43/09/81/1064430981.db2.gz QCBWKMQEXRDMNN-WBVHZDCISA-N 1 0 451.537 4.324 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001315509460 1064436962 /nfs/dbraw/zinc/43/69/62/1064436962.db2.gz BUZGZRRLHRWEEE-UHFFFAOYSA-N 1 0 469.033 4.437 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCCC2)n1CC[NH+]1CCSCC1 ZINC001315509932 1064439529 /nfs/dbraw/zinc/43/95/29/1064439529.db2.gz HGXZTYJJBPMZTL-UHFFFAOYSA-N 1 0 450.052 4.283 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315510391 1064441833 /nfs/dbraw/zinc/44/18/33/1064441833.db2.gz APURXGFODWCVDV-NRFANRHFSA-N 1 0 489.064 4.182 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001315512325 1064451034 /nfs/dbraw/zinc/45/10/34/1064451034.db2.gz WXILDDCDFGPPGJ-SFHVURJKSA-N 1 0 450.027 4.199 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001315520750 1064483937 /nfs/dbraw/zinc/48/39/37/1064483937.db2.gz SKYXFOHXJIVPKL-UHFFFAOYSA-N 1 0 461.513 4.035 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001315524485 1064497763 /nfs/dbraw/zinc/49/77/63/1064497763.db2.gz VCTYLDPXQPVAKN-NLFFAJNJSA-N 1 0 471.671 4.096 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315528519 1064508174 /nfs/dbraw/zinc/50/81/74/1064508174.db2.gz KGVXIUDEZCSDIL-FGZHOGPDSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001315529783 1064512369 /nfs/dbraw/zinc/51/23/69/1064512369.db2.gz NGCUGUKRBVNVOP-TZYHBYERSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCC[C@@H](SC)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001315530281 1064513255 /nfs/dbraw/zinc/51/32/55/1064513255.db2.gz CQGRIONKCVGCSI-NZQKXSOJSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001315530297 1064513795 /nfs/dbraw/zinc/51/37/95/1064513795.db2.gz CVQUZVYDQRZNBF-QFIPXVFZSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(C)CCCS2)cc1 ZINC001315531189 1064516116 /nfs/dbraw/zinc/51/61/16/1064516116.db2.gz UQXUGEJAYMTCKB-VWLOTQADSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001315540695 1064537095 /nfs/dbraw/zinc/53/70/95/1064537095.db2.gz IHJNHCOIPSFZIZ-UHFFFAOYSA-N 1 0 453.587 4.245 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1CCC(OC)CC1)CC2 ZINC001315545482 1064551268 /nfs/dbraw/zinc/55/12/68/1064551268.db2.gz HUPRUIAESUKARD-UHFFFAOYSA-N 1 0 469.674 4.327 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315545909 1064551746 /nfs/dbraw/zinc/55/17/46/1064551746.db2.gz PZRMIMDRCWEYCF-REWPJTCUSA-N 1 0 483.579 4.243 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)c1 ZINC001315546660 1064554686 /nfs/dbraw/zinc/55/46/86/1064554686.db2.gz WYEMGTMKRZIZLZ-APTRMMRNSA-N 1 0 455.647 4.320 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCSC)CC2)c1 ZINC001315546716 1064554952 /nfs/dbraw/zinc/55/49/52/1064554952.db2.gz XWFARCICKKQSLX-HXUWFJFHSA-N 1 0 466.655 4.293 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)[NH+]2CCCC2)c1 ZINC001315547615 1064557570 /nfs/dbraw/zinc/55/75/70/1064557570.db2.gz SIVXYYWHDTUQIW-REWPJTCUSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C)s2)[NH+](C)C)c1 ZINC001315548081 1064559051 /nfs/dbraw/zinc/55/90/51/1064559051.db2.gz GDGAFIBKIRIAKM-FGZHOGPDSA-N 1 0 455.628 4.447 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCN(CC(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315549460 1064564470 /nfs/dbraw/zinc/56/44/70/1064564470.db2.gz QFOBWEVBCLKQNA-QFIPXVFZSA-N 1 0 494.606 4.007 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001315550242 1064566717 /nfs/dbraw/zinc/56/67/17/1064566717.db2.gz UNPWNEXWKHXKDL-HXUWFJFHSA-N 1 0 494.587 4.478 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)CCCc3ccccn3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315550601 1064567082 /nfs/dbraw/zinc/56/70/82/1064567082.db2.gz XTUREPKAGHBPQL-QHCPKHFHSA-N 1 0 450.631 4.351 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)CCCc3ccccn3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315550600 1064567390 /nfs/dbraw/zinc/56/73/90/1064567390.db2.gz XTUREPKAGHBPQL-HSZRJFAPSA-N 1 0 450.631 4.351 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001315553429 1064570637 /nfs/dbraw/zinc/57/06/37/1064570637.db2.gz CIJXWPNMCLTKLR-FXAWDEMLSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001315553930 1064571423 /nfs/dbraw/zinc/57/14/23/1064571423.db2.gz MTEREMMCYVRCMN-UHFFFAOYSA-N 1 0 481.588 4.480 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315554805 1064573388 /nfs/dbraw/zinc/57/33/88/1064573388.db2.gz BCDGNEPYFKOFGY-WOJBJXKFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315557861 1064578937 /nfs/dbraw/zinc/57/89/37/1064578937.db2.gz MXFKJEWFXFAKET-LEWJYISDSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001315559939 1064585314 /nfs/dbraw/zinc/58/53/14/1064585314.db2.gz GGCPAXIFZMRDIK-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315562923 1064590128 /nfs/dbraw/zinc/59/01/28/1064590128.db2.gz JIFVMLMCNZQHKO-AZUAARDMSA-N 1 0 482.595 4.003 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315566169 1064597700 /nfs/dbraw/zinc/59/77/00/1064597700.db2.gz MTLDEHWGIAYIMI-NEYJZJCJSA-N 1 0 495.590 4.476 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315568140 1064602333 /nfs/dbraw/zinc/60/23/33/1064602333.db2.gz XSYPVEKRLSFNLI-XUZZJYLKSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315569890 1064609663 /nfs/dbraw/zinc/60/96/63/1064609663.db2.gz FKIKPXOSRRSDBP-CGHRXAFASA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)C(C)C)c1 ZINC001315573179 1064623733 /nfs/dbraw/zinc/62/37/33/1064623733.db2.gz XDIVGOQAPXNPIM-NTKDMRAZSA-N 1 0 465.646 4.076 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315575889 1064632096 /nfs/dbraw/zinc/63/20/96/1064632096.db2.gz WEJSTEHWZDWHMW-DEOSSOPVSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001315576737 1064634640 /nfs/dbraw/zinc/63/46/40/1064634640.db2.gz OTGGSKKHLNCFPY-INIZCTEOSA-N 1 0 487.446 4.174 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001315578237 1064639355 /nfs/dbraw/zinc/63/93/55/1064639355.db2.gz UBJZDXKYRRIHSA-DHLKQENFSA-N 1 0 473.687 4.033 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)c1 ZINC001315578303 1064639427 /nfs/dbraw/zinc/63/94/27/1064639427.db2.gz JWNCSFOOHLQBHY-JOCHJYFZSA-N 1 0 498.672 4.133 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccsc3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001315578648 1064640914 /nfs/dbraw/zinc/64/09/14/1064640914.db2.gz NVKUPXMKXAPYLN-UHFFFAOYSA-N 1 0 471.696 4.403 20 0 JIADRO COc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001315578720 1064640980 /nfs/dbraw/zinc/64/09/80/1064640980.db2.gz ZHVYXBDGZWZOLZ-FQEVSTJZSA-N 1 0 496.681 4.035 20 0 JIADRO COc1cccc(Cl)c1Cn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001315582874 1064651995 /nfs/dbraw/zinc/65/19/95/1064651995.db2.gz FNANBWRLFPQCIJ-UHFFFAOYSA-N 1 0 476.065 4.367 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001315583286 1064654220 /nfs/dbraw/zinc/65/42/20/1064654220.db2.gz ZMPTZTDWKHDMTG-GMAHTHKFSA-N 1 0 457.663 4.356 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001315585052 1064661245 /nfs/dbraw/zinc/66/12/45/1064661245.db2.gz FXTJTGGPUYPOPM-QFIPXVFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001315586401 1064666045 /nfs/dbraw/zinc/66/60/45/1064666045.db2.gz ZYSYOKSJNZFBMF-FGZHOGPDSA-N 1 0 498.716 4.090 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315593263 1064686547 /nfs/dbraw/zinc/68/65/47/1064686547.db2.gz ANOGLAGKECFLDU-CTNGQTDRSA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2cccs2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315593772 1064689049 /nfs/dbraw/zinc/68/90/49/1064689049.db2.gz NDEJPDDDFIHEEK-HXUWFJFHSA-N 1 0 469.655 4.051 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)SC ZINC001315597652 1064700724 /nfs/dbraw/zinc/70/07/24/1064700724.db2.gz GKBLIZLJJYJLGV-HSALFYBXSA-N 1 0 473.687 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)SC ZINC001315597653 1064700901 /nfs/dbraw/zinc/70/09/01/1064700901.db2.gz GKBLIZLJJYJLGV-ZCNNSNEGSA-N 1 0 473.687 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001315598576 1064702077 /nfs/dbraw/zinc/70/20/77/1064702077.db2.gz LUYGLFUUMHXPDC-QFIPXVFZSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315599927 1064705472 /nfs/dbraw/zinc/70/54/72/1064705472.db2.gz UJERUXKOXRMYCS-JOCHJYFZSA-N 1 0 496.700 4.157 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315600350 1064707718 /nfs/dbraw/zinc/70/77/18/1064707718.db2.gz XFWFCCZIBXWWRC-UUOWRZLLSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001315600758 1064707762 /nfs/dbraw/zinc/70/77/62/1064707762.db2.gz PMWFQKHXHNLMOS-HYBUGGRVSA-N 1 0 455.647 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OCCC(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001315600469 1064708076 /nfs/dbraw/zinc/70/80/76/1064708076.db2.gz BRGOBHTYVOPFIT-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCSCC(F)(F)F ZINC001315601073 1064708747 /nfs/dbraw/zinc/70/87/47/1064708747.db2.gz STBXPZZSTWAQFF-KRWDZBQOSA-N 1 0 469.577 4.314 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCSCC(F)(F)F ZINC001315601074 1064709283 /nfs/dbraw/zinc/70/92/83/1064709283.db2.gz STBXPZZSTWAQFF-QGZVFWFLSA-N 1 0 469.577 4.314 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001315606419 1064722279 /nfs/dbraw/zinc/72/22/79/1064722279.db2.gz DSRSZGHBWZSRSS-UHFFFAOYSA-N 1 0 494.606 4.006 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315607760 1064725856 /nfs/dbraw/zinc/72/58/56/1064725856.db2.gz DSLJGFPQVLSWHE-UGKGYDQZSA-N 1 0 484.670 4.273 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315607953 1064726275 /nfs/dbraw/zinc/72/62/75/1064726275.db2.gz UEFPLDPNUACNTE-GOSISDBHSA-N 1 0 494.587 4.002 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001315607938 1064726567 /nfs/dbraw/zinc/72/65/67/1064726567.db2.gz SSWPBTQOBICSFN-LEWJYISDSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCC=C(C)C ZINC001315608286 1064727080 /nfs/dbraw/zinc/72/70/80/1064727080.db2.gz WFNPOUALVUMPFM-DHIUTWEWSA-N 1 0 466.674 4.305 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315609167 1064728472 /nfs/dbraw/zinc/72/84/72/1064728472.db2.gz JTKZBRJXGKJIOY-FQEVSTJZSA-N 1 0 469.552 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001315610252 1064729884 /nfs/dbraw/zinc/72/98/84/1064729884.db2.gz VBFQVELEIDECBN-ZJSXRUAMSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001315610249 1064729930 /nfs/dbraw/zinc/72/99/30/1064729930.db2.gz VBFQVELEIDECBN-QPPBQGQZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001315615498 1064741182 /nfs/dbraw/zinc/74/11/82/1064741182.db2.gz HSEZRMSZWOTKAM-ZJSXRUAMSA-N 1 0 455.647 4.472 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315617997 1064748743 /nfs/dbraw/zinc/74/87/43/1064748743.db2.gz TYYVVVUJVIJLGI-OAQYLSRUSA-N 1 0 494.709 4.167 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315620164 1064753792 /nfs/dbraw/zinc/75/37/92/1064753792.db2.gz HDMQYDFZLXFHAJ-FIPFOOKPSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001315623486 1064761346 /nfs/dbraw/zinc/76/13/46/1064761346.db2.gz ZWMMBNNCBCDGEP-ZJSXRUAMSA-N 1 0 469.674 4.107 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCC[NH+](C(C)C)C(C)C ZINC001315623713 1064762668 /nfs/dbraw/zinc/76/26/68/1064762668.db2.gz BDKDVTCLBPGGBZ-HHHXNRCGSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1OCCC1(C)C ZINC001315624530 1064764249 /nfs/dbraw/zinc/76/42/49/1064764249.db2.gz JOQFIMQUONMXAR-QFIPXVFZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315631639 1064783464 /nfs/dbraw/zinc/78/34/64/1064783464.db2.gz MDSDVOWXBHXRAW-QPPBQGQZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315632437 1064785070 /nfs/dbraw/zinc/78/50/70/1064785070.db2.gz CZOQFYOWEQHUMS-ISKFKSNPSA-N 1 0 469.674 4.228 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315632439 1064785175 /nfs/dbraw/zinc/78/51/75/1064785175.db2.gz CZOQFYOWEQHUMS-LADGPHEKSA-N 1 0 469.674 4.228 20 0 JIADRO COc1ccccc1N1CC[C@@H](Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)C1 ZINC001315642219 1064806218 /nfs/dbraw/zinc/80/62/18/1064806218.db2.gz APYHEAHBENTQSQ-OAQYLSRUSA-N 1 0 468.690 4.421 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001315643514 1064809676 /nfs/dbraw/zinc/80/96/76/1064809676.db2.gz QAJPLAPYUQFNSK-UHFFFAOYSA-N 1 0 468.690 4.244 20 0 JIADRO COc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315644296 1064811707 /nfs/dbraw/zinc/81/17/07/1064811707.db2.gz QZLLXKMQQKPFPP-OYRHEFFESA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315652351 1064835110 /nfs/dbraw/zinc/83/51/10/1064835110.db2.gz QWADGQBEGJWYKD-OYRHEFFESA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315652388 1064835487 /nfs/dbraw/zinc/83/54/87/1064835487.db2.gz RGZVDMYMMSAKOF-GHTZIAJQSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315654733 1064842313 /nfs/dbraw/zinc/84/23/13/1064842313.db2.gz IOCOWTWXRHFRAW-RLWLMLJZSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(C)CCCS1 ZINC001315656839 1064847991 /nfs/dbraw/zinc/84/79/91/1064847991.db2.gz PPGRXNXMVFFOHN-XMMPIXPASA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCCCCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315657318 1064849345 /nfs/dbraw/zinc/84/93/45/1064849345.db2.gz LZOVYZFAJBZJJL-SZPZYZBQSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315661241 1064860486 /nfs/dbraw/zinc/86/04/86/1064860486.db2.gz FQBYFHVTYMGLMI-ROUUACIJSA-N 1 0 459.660 4.065 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1([NH+](C)C)CCC1 ZINC001315661624 1064861971 /nfs/dbraw/zinc/86/19/71/1064861971.db2.gz LQMQQKZLZTWCJU-UHFFFAOYSA-N 1 0 490.077 4.087 20 0 JIADRO 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ZINC001315667837 1064888940 /nfs/dbraw/zinc/88/89/40/1064888940.db2.gz OZKDKBJMWNQGAO-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ncccc1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315674227 1064908210 /nfs/dbraw/zinc/90/82/10/1064908210.db2.gz KUVZRBAYEADVEK-UHFFFAOYSA-N 1 0 466.655 4.298 20 0 JIADRO COC1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001315675949 1064911431 /nfs/dbraw/zinc/91/14/31/1064911431.db2.gz CXFKGGSRDQMSIC-RFQWIFLJSA-N 1 0 488.721 4.102 20 0 JIADRO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001315678581 1064918416 /nfs/dbraw/zinc/91/84/16/1064918416.db2.gz QHYRRTAXDCXHPD-UHFFFAOYSA-N 1 0 454.663 4.411 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001315683505 1064931358 /nfs/dbraw/zinc/93/13/58/1064931358.db2.gz KWGPJBQDCLDBRZ-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001315691248 1064947378 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COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001316212406 1065919225 /nfs/dbraw/zinc/91/92/25/1065919225.db2.gz HEPWILHYVLFGBC-GMAHTHKFSA-N 1 0 491.627 4.458 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001316216820 1065928431 /nfs/dbraw/zinc/92/84/31/1065928431.db2.gz GJUGWKAHOKVDJK-UXHICEINSA-N 1 0 477.675 4.154 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001316218046 1065929802 /nfs/dbraw/zinc/92/98/02/1065929802.db2.gz XOAXUTILAHGANT-HXUWFJFHSA-N 1 0 488.677 4.038 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001316218347 1065930723 /nfs/dbraw/zinc/93/07/23/1065930723.db2.gz WZPKDUYTHRXSOK-DUXKGJEZSA-N 1 0 499.553 4.298 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001316235718 1065968417 /nfs/dbraw/zinc/96/84/17/1065968417.db2.gz PPZOWPVZWVJYGH-QFIPXVFZSA-N 1 0 476.065 4.495 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001316236116 1065969487 /nfs/dbraw/zinc/96/94/87/1065969487.db2.gz IFJMLMVOQKLDOB-DNVJHFABSA-N 1 0 491.721 4.093 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001316237578 1065972957 /nfs/dbraw/zinc/97/29/57/1065972957.db2.gz UIZGVQRRXCGWDT-CTNGQTDRSA-N 1 0 475.703 4.103 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001316237738 1065973476 /nfs/dbraw/zinc/97/34/76/1065973476.db2.gz WTDKGWMASVFTTQ-QHCPKHFHSA-N 1 0 476.065 4.352 20 0 JIADRO COCCOC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001316239128 1065975586 /nfs/dbraw/zinc/97/55/86/1065975586.db2.gz SHMXEORFTPEQDY-IDISGSTGSA-N 1 0 485.673 4.096 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316239723 1065976937 /nfs/dbraw/zinc/97/69/37/1065976937.db2.gz QSXCNBSILREWKV-NOZRDPDXSA-N 1 0 499.700 4.226 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316239725 1065977210 /nfs/dbraw/zinc/97/72/10/1065977210.db2.gz QSXCNBSILREWKV-ZCYQVOJMSA-N 1 0 499.700 4.226 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316250003 1065992060 /nfs/dbraw/zinc/99/20/60/1065992060.db2.gz RGIZBEWJJUQNNZ-IMSXRSKXSA-N 1 0 487.664 4.006 20 0 JIADRO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316251256 1065994249 /nfs/dbraw/zinc/99/42/49/1065994249.db2.gz HBXILRKEGYDWTP-SFTDATJTSA-N 1 0 476.065 4.208 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316271713 1066017580 /nfs/dbraw/zinc/01/75/80/1066017580.db2.gz KWXMKGQXUVHNOM-JJYQKYQYSA-N 1 0 491.627 4.427 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC(C)(C)C[NH+](C)C ZINC001316273255 1066020828 /nfs/dbraw/zinc/02/08/28/1066020828.db2.gz OOYYUCLIKNWEKZ-MMOPVJDHSA-N 1 0 465.589 4.066 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316275848 1066027925 /nfs/dbraw/zinc/02/79/25/1066027925.db2.gz XQQVCNRATJBIDL-GOTSBHOMSA-N 1 0 455.647 4.211 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(CC(C)C)C(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001316278729 1066032217 /nfs/dbraw/zinc/03/22/17/1066032217.db2.gz JPHREHAQZQBKES-UPVQGACJSA-N 1 0 470.662 4.185 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316279220 1066033194 /nfs/dbraw/zinc/03/31/94/1066033194.db2.gz DDNDLLGSBVPASA-PMVMPFDFSA-N 1 0 459.679 4.305 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001316283663 1066039374 /nfs/dbraw/zinc/03/93/74/1066039374.db2.gz WQVBJFIVBPVENU-ZQRMPTRQSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)=C(Br)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001316284307 1066040127 /nfs/dbraw/zinc/04/01/27/1066040127.db2.gz DMGGZYTZQXVWJG-ICSRJNTNSA-N 1 0 496.494 4.003 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316285541 1066042486 /nfs/dbraw/zinc/04/24/86/1066042486.db2.gz QSTLBXXZWXSKFK-YYWHXJBOSA-N 1 0 486.488 4.412 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001316286271 1066043332 /nfs/dbraw/zinc/04/33/32/1066043332.db2.gz IPPXPCDQLAATHZ-CUDHKJQZSA-N 1 0 473.584 4.263 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001316286740 1066044139 /nfs/dbraw/zinc/04/41/39/1066044139.db2.gz OKHJGBOUNIUWDR-URXFXBBRSA-N 1 0 491.721 4.441 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001316287529 1066045458 /nfs/dbraw/zinc/04/54/58/1066045458.db2.gz BXWGFDZEHBWOCS-RDPSFJRHSA-N 1 0 491.627 4.352 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001316289392 1066047958 /nfs/dbraw/zinc/04/79/58/1066047958.db2.gz OSYXABNMVOQOLY-FPOVZHCZSA-N 1 0 495.590 4.380 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)COCc1ccccc1 ZINC001316289847 1066048587 /nfs/dbraw/zinc/04/85/87/1066048587.db2.gz XQFIUMOCQXEDTA-VJTSUQJLSA-N 1 0 499.700 4.166 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001316294402 1066056139 /nfs/dbraw/zinc/05/61/39/1066056139.db2.gz PYIDRRAFODZPTO-DQEYMECFSA-N 1 0 499.700 4.144 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001316296063 1066056932 /nfs/dbraw/zinc/05/69/32/1066056932.db2.gz AVLLVMLXCZSQBB-FIXSFTCYSA-N 1 0 485.673 4.028 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001316298686 1066059067 /nfs/dbraw/zinc/05/90/67/1066059067.db2.gz ZSGPJVDTMSXQQX-GRSOWLQASA-N 1 0 491.721 4.298 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001316312505 1066068477 /nfs/dbraw/zinc/06/84/77/1066068477.db2.gz OEDODPRUXWOXSF-LJQANCHMSA-N 1 0 450.425 4.052 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001316315441 1066071714 /nfs/dbraw/zinc/07/17/14/1066071714.db2.gz LCVMACNKRVYYLQ-RTBURBONSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316315629 1066072191 /nfs/dbraw/zinc/07/21/91/1066072191.db2.gz SCEYEMHBLWHEJH-HSZRJFAPSA-N 1 0 487.714 4.423 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001316323070 1066079075 /nfs/dbraw/zinc/07/90/75/1066079075.db2.gz WEBJFARTPNXLLQ-IWQHBPENSA-N 1 0 492.064 4.184 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316325560 1066082326 /nfs/dbraw/zinc/08/23/26/1066082326.db2.gz YQQJQDWVMWMMRC-XLIONFOSSA-N 1 0 487.446 4.171 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1OC ZINC001316330540 1066086675 /nfs/dbraw/zinc/08/66/75/1066086675.db2.gz WUPYLWYANPIOCY-DHNNRRLOSA-N 1 0 492.064 4.044 20 0 JIADRO CSC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001316362078 1066098469 /nfs/dbraw/zinc/09/84/69/1066098469.db2.gz BHTRBRNAQGJZSW-IBGZPJMESA-N 1 0 491.677 4.247 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316378909 1066146048 /nfs/dbraw/zinc/14/60/48/1066146048.db2.gz NUMGDFHWZMBSKD-SFHVURJKSA-N 1 0 459.660 4.026 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316380305 1066148052 /nfs/dbraw/zinc/14/80/52/1066148052.db2.gz YLUJYBJJLMZPMO-CEXWTWQISA-N 1 0 461.651 4.161 20 0 JIADRO CS[C@H](C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001316383095 1066152241 /nfs/dbraw/zinc/15/22/41/1066152241.db2.gz LFULJAQUULBCAO-NFBKMPQASA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316384134 1066153342 /nfs/dbraw/zinc/15/33/42/1066153342.db2.gz VUGWWGYNHUOWPJ-CEXWTWQISA-N 1 0 493.668 4.224 20 0 JIADRO CS[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1)C(C)(C)C ZINC001316390535 1066163534 /nfs/dbraw/zinc/16/35/34/1066163534.db2.gz YWJAMRDTENRLSS-JOCHJYFZSA-N 1 0 485.702 4.422 20 0 JIADRO CS[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001316394947 1066171175 /nfs/dbraw/zinc/17/11/75/1066171175.db2.gz PKSUDGIJMJEMFU-ZGXWSNOMSA-N 1 0 492.734 4.111 20 0 JIADRO CSC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001316400706 1066178243 /nfs/dbraw/zinc/17/82/43/1066178243.db2.gz HAZONXPLDHVJHF-UHFFFAOYSA-N 1 0 464.477 4.381 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC=C(C)CC2)CC[NH+](C)CC1 ZINC001316401873 1066180273 /nfs/dbraw/zinc/18/02/73/1066180273.db2.gz SDTKJZHRPZGGGR-UHFFFAOYSA-N 1 0 479.492 4.030 20 0 JIADRO CSC1(Cn2c(-c3ccccc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001316405046 1066187167 /nfs/dbraw/zinc/18/71/67/1066187167.db2.gz VUTWUHGUKJMUAQ-JOCHJYFZSA-N 1 0 497.631 4.302 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCOCC1 ZINC001316406917 1066189805 /nfs/dbraw/zinc/18/98/05/1066189805.db2.gz ITNLRVCINHKPHB-JOCHJYFZSA-N 1 0 457.688 4.100 20 0 JIADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316407294 1066190627 /nfs/dbraw/zinc/19/06/27/1066190627.db2.gz NAOYFPOWJMTQEL-IBGZPJMESA-N 1 0 493.668 4.226 20 0 JIADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnc(C)s2)CC[NH+](C)CC1 ZINC001316408385 1066192835 /nfs/dbraw/zinc/19/28/35/1066192835.db2.gz XYDKYRNYCDFPTB-UHFFFAOYSA-N 1 0 492.665 4.376 20 0 JIADRO CSC1(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCOCC1 ZINC001316409398 1066194721 /nfs/dbraw/zinc/19/47/21/1066194721.db2.gz HGNDRPZTXSBATR-UHFFFAOYSA-N 1 0 487.714 4.122 20 0 JIADRO CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@@H]2C)CC[NH+](C)CC1 ZINC001316409580 1066195246 /nfs/dbraw/zinc/19/52/46/1066195246.db2.gz KDLXRTHDCBUOAD-FQEVSTJZSA-N 1 0 475.728 4.243 20 0 JIADRO CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316409909 1066196584 /nfs/dbraw/zinc/19/65/84/1066196584.db2.gz LBKHSDIEZOCVQZ-OAQYLSRUSA-N 1 0 487.714 4.305 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001492498701 1066223908 /nfs/dbraw/zinc/22/39/08/1066223908.db2.gz OUCTYNSAVZRBBU-UHFFFAOYSA-N 1 0 492.668 4.307 20 0 JIADRO CSc1ccc(F)cc1Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316420440 1066224846 /nfs/dbraw/zinc/22/48/46/1066224846.db2.gz GRQCJOLCQUCUPA-UHFFFAOYSA-N 1 0 454.619 4.094 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001324875343 1066231686 /nfs/dbraw/zinc/23/16/86/1066231686.db2.gz ZGSQASQNMWRSNC-IBGGVINMSA-N 1 0 491.632 4.193 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cc2cccnc2)n1CC[N@H+](C)C1CCCC1 ZINC001316423875 1066237635 /nfs/dbraw/zinc/23/76/35/1066237635.db2.gz JTTZPMARSVVTQB-UHFFFAOYSA-N 1 0 450.656 4.497 20 0 JIADRO COc1ccc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1-c1ccccc1 ZINC001325227316 1066240362 /nfs/dbraw/zinc/24/03/62/1066240362.db2.gz UXFIPRPYJNRCGM-UHFFFAOYSA-N 1 0 458.558 4.431 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001316426796 1066247912 /nfs/dbraw/zinc/24/79/12/1066247912.db2.gz DWDIIRQWEJAWBB-FGZHOGPDSA-N 1 0 478.106 4.091 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316427560 1066251862 /nfs/dbraw/zinc/25/18/62/1066251862.db2.gz JRDJYXURQWDPBZ-QHCPKHFHSA-N 1 0 468.646 4.257 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001325500269 1066253034 /nfs/dbraw/zinc/25/30/34/1066253034.db2.gz WDNFGUVXTFJZBK-TVZXLZGTSA-N 1 0 462.638 4.269 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316428790 1066257417 /nfs/dbraw/zinc/25/74/17/1066257417.db2.gz RTJOJQXTTRFEHV-NIRIFSCTSA-N 1 0 456.704 4.496 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(C4CC4)n(-c4ccccc4)n3)c(C(F)(F)F)c2)CC1 ZINC001325622737 1066258851 /nfs/dbraw/zinc/25/88/51/1066258851.db2.gz YCWAAEACVPZFEF-UHFFFAOYSA-N 1 0 470.499 4.168 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C ZINC001316432064 1066272065 /nfs/dbraw/zinc/27/20/65/1066272065.db2.gz DKJNUTIEEKDOLR-QGZVFWFLSA-N 1 0 453.603 4.466 20 0 JIADRO CSCc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001316431911 1066272166 /nfs/dbraw/zinc/27/21/66/1066272166.db2.gz ITEHHFIMKBJLPV-UHFFFAOYSA-N 1 0 450.656 4.096 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001316432916 1066277014 /nfs/dbraw/zinc/27/70/14/1066277014.db2.gz XZIYUCWNYLSJOT-HFZDXXHNSA-N 1 0 487.714 4.077 20 0 JIADRO O=C(COC(=O)Cc1coc(-c2ccccc2)n1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326023795 1066280465 /nfs/dbraw/zinc/28/04/65/1066280465.db2.gz MWUWPAXTFLMVJK-QFIPXVFZSA-N 1 0 467.953 4.034 20 0 JIADRO Cc1cc(C(=O)OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc2ccccc12 ZINC001326025102 1066281025 /nfs/dbraw/zinc/28/10/25/1066281025.db2.gz KVCBAQYQUFSJSX-HSZRJFAPSA-N 1 0 451.954 4.307 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001326131007 1066286415 /nfs/dbraw/zinc/28/64/15/1066286415.db2.gz UQMWMHWEVQDKNW-DEOSSOPVSA-N 1 0 494.039 4.174 20 0 JIADRO O=C(COc1ccc(Cl)cc1Br)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001326327634 1066292111 /nfs/dbraw/zinc/29/21/11/1066292111.db2.gz FUNGPPLJIMUKCS-KRWDZBQOSA-N 1 0 451.792 4.162 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001316439723 1066296236 /nfs/dbraw/zinc/29/62/36/1066296236.db2.gz ZTCZTDHIZZADNP-QGZVFWFLSA-N 1 0 468.042 4.180 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CC1 ZINC001326435104 1066297814 /nfs/dbraw/zinc/29/78/14/1066297814.db2.gz XZLOQCOYKRPCLN-UHFFFAOYSA-N 1 0 475.568 4.080 20 0 JIADRO CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326471566 1066298612 /nfs/dbraw/zinc/29/86/12/1066298612.db2.gz XRDMQZUPJCWNAG-UHFFFAOYSA-N 1 0 474.653 4.383 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001316440591 1066299620 /nfs/dbraw/zinc/29/96/20/1066299620.db2.gz XZBZMNFGHTVBLZ-FQEVSTJZSA-N 1 0 463.692 4.167 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001316442993 1066306543 /nfs/dbraw/zinc/30/65/43/1066306543.db2.gz WIZCIDIJECLWNZ-IFMALSPDSA-N 1 0 459.708 4.126 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001316443752 1066308584 /nfs/dbraw/zinc/30/85/84/1066308584.db2.gz SYDMMAHBABRXSP-HXUWFJFHSA-N 1 0 461.651 4.450 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316443984 1066310213 /nfs/dbraw/zinc/31/02/13/1066310213.db2.gz HARWFHMTUMNZKC-WIYYLYMNSA-N 1 0 484.670 4.195 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC001327150259 1066311071 /nfs/dbraw/zinc/31/10/71/1066311071.db2.gz FNDUGCLGMNAFIG-UHFFFAOYSA-N 1 0 494.455 4.196 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001316444571 1066312014 /nfs/dbraw/zinc/31/20/14/1066312014.db2.gz LXOBPKZJPQVCHA-HZPDHXFCSA-N 1 0 469.497 4.345 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1)C(C)C ZINC001327170450 1066312176 /nfs/dbraw/zinc/31/21/76/1066312176.db2.gz HRACOERZZBTTDZ-AATRIKPKSA-N 1 0 454.442 4.480 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316448861 1066324654 /nfs/dbraw/zinc/32/46/54/1066324654.db2.gz FYKJRRYZQAHHTM-YCRNBWNJSA-N 1 0 490.743 4.123 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)n1 ZINC001492506713 1066328889 /nfs/dbraw/zinc/32/88/89/1066328889.db2.gz MFWHURQEIQTMQZ-NZQKXSOJSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492508630 1066334242 /nfs/dbraw/zinc/33/42/42/1066334242.db2.gz WGDOBIDDQNRKBL-DVECYGJZSA-N 1 0 494.606 4.443 20 0 JIADRO CSCCCCn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001316460010 1066353656 /nfs/dbraw/zinc/35/36/56/1066353656.db2.gz AIWOPLGOSOEFLO-UHFFFAOYSA-N 1 0 488.721 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492514217 1066354546 /nfs/dbraw/zinc/35/45/46/1066354546.db2.gz LLROIISKYOBECI-WOJBJXKFSA-N 1 0 480.579 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001492514805 1066357417 /nfs/dbraw/zinc/35/74/17/1066357417.db2.gz VJYWUOWUNLGIGM-LEWJYISDSA-N 1 0 497.688 4.215 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc4c(cc(Br)cc4F)[nH]3)C2)ccn1 ZINC001331303102 1066357960 /nfs/dbraw/zinc/35/79/60/1066357960.db2.gz XUPVOFVOZZPFCG-QGZVFWFLSA-N 1 0 475.362 4.210 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2CCOC(C)(C)C)n1 ZINC001492516180 1066363889 /nfs/dbraw/zinc/36/38/89/1066363889.db2.gz OXMDXYCRZBQLHC-UHFFFAOYSA-N 1 0 466.605 4.315 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492517577 1066373842 /nfs/dbraw/zinc/37/38/42/1066373842.db2.gz XNLKMXKTSJXQKW-UHFFFAOYSA-N 1 0 488.558 4.306 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001316470888 1066377030 /nfs/dbraw/zinc/37/70/30/1066377030.db2.gz PENNRHIMOZOAMN-OALUTQOASA-N 1 0 480.723 4.065 20 0 JIADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316471460 1066378788 /nfs/dbraw/zinc/37/87/88/1066378788.db2.gz BGMVMGDXFSBSIP-UHFFFAOYSA-N 1 0 483.524 4.357 20 0 JIADRO CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001316473907 1066381919 /nfs/dbraw/zinc/38/19/19/1066381919.db2.gz JKUPSZRBOJYQCF-HNNXBMFYSA-N 1 0 467.481 4.099 20 0 JIADRO CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316476447 1066388028 /nfs/dbraw/zinc/38/80/28/1066388028.db2.gz MKHYTJAMVNWVEP-UHFFFAOYSA-N 1 0 477.650 4.326 20 0 JIADRO CSCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316477643 1066389661 /nfs/dbraw/zinc/38/96/61/1066389661.db2.gz PNUQNTOSVGYFTJ-IBGZPJMESA-N 1 0 480.723 4.113 20 0 JIADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316477941 1066390218 /nfs/dbraw/zinc/39/02/18/1066390218.db2.gz FNLYMICQEZGXJG-IBGZPJMESA-N 1 0 470.712 4.488 20 0 JIADRO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)N3CCCC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492522998 1066391483 /nfs/dbraw/zinc/39/14/83/1066391483.db2.gz HRXPNUHHYVVFBT-QHCPKHFHSA-N 1 0 452.647 4.283 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001316479998 1066394095 /nfs/dbraw/zinc/39/40/95/1066394095.db2.gz IQYIZRJQBWZKJL-UZLBHIALSA-N 1 0 450.002 4.067 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)C2)ccn1 ZINC001334604204 1066397050 /nfs/dbraw/zinc/39/70/50/1066397050.db2.gz VWSZOEUFMVBCJE-NRFANRHFSA-N 1 0 453.974 4.259 20 0 JIADRO C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1O ZINC001316485395 1066405776 /nfs/dbraw/zinc/40/57/76/1066405776.db2.gz UIJWJLCCTBPGEC-LEOXJPRUSA-N 1 0 460.066 4.240 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001316488334 1066414689 /nfs/dbraw/zinc/41/46/89/1066414689.db2.gz JDEKGQIJDHXXTE-CHWSQXEVSA-N 1 0 478.382 4.500 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1F ZINC001316488315 1066414725 /nfs/dbraw/zinc/41/47/25/1066414725.db2.gz IBYWYKKNSNWRCO-JLSDUUJJSA-N 1 0 462.367 4.398 20 0 JIADRO C[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316491272 1066426413 /nfs/dbraw/zinc/42/64/13/1066426413.db2.gz LFDIYUDCJLDFTR-UTKZUKDTSA-N 1 0 472.609 4.043 20 0 JIADRO Cc1cccc(CCn2c(-c3ccc(Br)cc3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492528444 1066432563 /nfs/dbraw/zinc/43/25/63/1066432563.db2.gz OJMWNEFTYFGNRE-UHFFFAOYSA-N 1 0 469.431 4.184 20 0 JIADRO Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC001492531176 1066451240 /nfs/dbraw/zinc/45/12/40/1066451240.db2.gz VDJMGNSFMIAWLY-UHFFFAOYSA-N 1 0 494.728 4.236 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471525 /nfs/dbraw/zinc/47/15/25/1066471525.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 1 0 489.108 4.266 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504045 1066472736 /nfs/dbraw/zinc/47/27/36/1066472736.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 1 0 488.746 4.266 20 0 JIADRO Cc1cc(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)ccc1N1CC[NH+](C)CC1 ZINC001337396973 1066478765 /nfs/dbraw/zinc/47/87/65/1066478765.db2.gz UYVIYDNVGNYTJW-QFIPXVFZSA-N 1 0 452.990 4.045 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001316505497 1066479294 /nfs/dbraw/zinc/47/92/94/1066479294.db2.gz YPDBCXBFLIXZHM-CALCHBBNSA-N 1 0 468.568 4.187 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001316508153 1066486190 /nfs/dbraw/zinc/48/61/90/1066486190.db2.gz RPPLGVRZDWOEGU-BGWNEDDSSA-N 1 0 499.700 4.189 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2CC(F)(F)C2)CC1 ZINC001316514281 1066505705 /nfs/dbraw/zinc/50/57/05/1066505705.db2.gz GYKUIQTZUYSWMR-UHFFFAOYSA-N 1 0 479.538 4.147 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 ZINC001316514313 1066506211 /nfs/dbraw/zinc/50/62/11/1066506211.db2.gz HYDQUGZPHDMUTN-UHFFFAOYSA-N 1 0 483.922 4.331 20 0 JIADRO FC(F)(F)OCCCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316515146 1066508921 /nfs/dbraw/zinc/50/89/21/1066508921.db2.gz IODYZZUCCPFJGH-UHFFFAOYSA-N 1 0 466.552 4.359 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC=CCC2)CC1 ZINC001316515836 1066511356 /nfs/dbraw/zinc/51/13/56/1066511356.db2.gz WAUDKXBWOLTECR-SFHVURJKSA-N 1 0 498.981 4.441 20 0 JIADRO FC(F)(F)SCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001316517119 1066516485 /nfs/dbraw/zinc/51/64/85/1066516485.db2.gz JWNPGXGTIUZSQH-QGZVFWFLSA-N 1 0 459.607 4.496 20 0 JIADRO FC(F)(F)SCCn1c(CCCc2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316517622 1066518492 /nfs/dbraw/zinc/51/84/92/1066518492.db2.gz UXMREBOPJGAEHE-UHFFFAOYSA-N 1 0 453.578 4.238 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC001337910936 1066519201 /nfs/dbraw/zinc/51/92/01/1066519201.db2.gz CFRBTHAPKNYGJM-NRFANRHFSA-N 1 0 461.566 4.083 20 0 JIADRO Cc1cc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)ccc1N1CC[NH+](C)CC1 ZINC001338194118 1066536284 /nfs/dbraw/zinc/53/62/84/1066536284.db2.gz NZNGAKVAFNFDGL-UHFFFAOYSA-N 1 0 490.695 4.062 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCC(F)(F)F ZINC001316526525 1066542464 /nfs/dbraw/zinc/54/24/64/1066542464.db2.gz MPRYCOKEDDGVJV-UHFFFAOYSA-N 1 0 455.500 4.403 20 0 JIADRO CC(=O)NCc1ccc(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc3c(c2)CCCC3)s1 ZINC001338393003 1066552017 /nfs/dbraw/zinc/55/20/17/1066552017.db2.gz CMTCBUFOONFDJC-UHFFFAOYSA-O 1 0 456.657 4.151 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC001338542896 1066563317 /nfs/dbraw/zinc/56/33/17/1066563317.db2.gz LCXSFBQJEMZRJT-UHFFFAOYSA-N 1 0 473.602 4.050 20 0 JIADRO COc1cccc([C@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)[NH+]2CCCC2)c1 ZINC001339700093 1066577817 /nfs/dbraw/zinc/57/78/17/1066577817.db2.gz AJMZILMRXFGYQB-OALUTQOASA-N 1 0 450.004 4.330 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001341802498 1066589869 /nfs/dbraw/zinc/58/98/69/1066589869.db2.gz NISIWFKDHQRXPO-FQEVSTJZSA-N 1 0 495.041 4.069 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585749 1066607741 /nfs/dbraw/zinc/60/77/41/1066607741.db2.gz XSZUIOSIYHYOPZ-ICSRJNTNSA-N 1 0 467.992 4.317 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001492538575 1066616485 /nfs/dbraw/zinc/61/64/85/1066616485.db2.gz JTCXQAHBRAXUBP-FQEVSTJZSA-N 1 0 454.644 4.380 20 0 JIADRO OCCCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001316591015 1066620923 /nfs/dbraw/zinc/62/09/23/1066620923.db2.gz TUSFWXYCUYNNGP-UHFFFAOYSA-N 1 0 482.069 4.308 20 0 JIADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001474661370 1066626479 /nfs/dbraw/zinc/62/64/79/1066626479.db2.gz SQZKFMFVMLFYSD-HXUWFJFHSA-N 1 0 450.624 4.015 20 0 JIADRO COc1cc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc(Cl)c1OC ZINC001344462051 1066629852 /nfs/dbraw/zinc/62/98/52/1066629852.db2.gz YRUULBHUULLKNF-UHFFFAOYSA-N 1 0 450.004 4.270 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)o1)CN(Cc1ccccc1)CC2 ZINC001317689453 1066630434 /nfs/dbraw/zinc/63/04/34/1066630434.db2.gz KKIQSSNTIXCOEC-CQSZACIVSA-N 1 0 486.619 4.294 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001346088224 1066653399 /nfs/dbraw/zinc/65/33/99/1066653399.db2.gz SUXCKONHAJAXCK-QGZVFWFLSA-N 1 0 475.383 4.215 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1 ZINC001492543247 1066664869 /nfs/dbraw/zinc/66/48/69/1066664869.db2.gz FIWZUBVXJFCPMA-UHFFFAOYSA-N 1 0 485.032 4.260 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC001347076229 1066673495 /nfs/dbraw/zinc/67/34/95/1066673495.db2.gz RJAGFQNSDORLNN-OHSXHVKISA-N 1 0 464.606 4.067 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001492543860 1066676219 /nfs/dbraw/zinc/67/62/19/1066676219.db2.gz ZVVUIHWYDYBOEE-VWNXMTODSA-N 1 0 469.674 4.395 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001317803473 1066698682 /nfs/dbraw/zinc/69/86/82/1066698682.db2.gz JZKLRXJFQAHBPQ-UHFFFAOYSA-N 1 0 462.015 4.363 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)c(C)c2)CC1 ZINC001347797447 1066701587 /nfs/dbraw/zinc/70/15/87/1066701587.db2.gz MZXJGFOMTAEYLS-RLWLMLJZSA-N 1 0 456.631 4.113 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001317814669 1066704322 /nfs/dbraw/zinc/70/43/22/1066704322.db2.gz DRFIGTJPAODERB-UHFFFAOYSA-N 1 0 495.567 4.341 20 0 JIADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)C1 ZINC001317814518 1066704460 /nfs/dbraw/zinc/70/44/60/1066704460.db2.gz PVVUHUOOYGIQSF-WOJBJXKFSA-N 1 0 455.624 4.201 20 0 JIADRO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001317832914 1066717920 /nfs/dbraw/zinc/71/79/20/1066717920.db2.gz DZYQLQMJYNDISC-UHFFFAOYSA-N 1 0 483.016 4.493 20 0 JIADRO Cc1cc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001317833728 1066718501 /nfs/dbraw/zinc/71/85/01/1066718501.db2.gz NBWLEXIKIPKBIE-XMMPIXPASA-N 1 0 458.610 4.191 20 0 JIADRO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317834872 1066720389 /nfs/dbraw/zinc/72/03/89/1066720389.db2.gz GDDIGFCDOBJVIL-RUZDIDTESA-N 1 0 465.619 4.377 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)nc(Br)c1)c1ccccc1 ZINC001348429881 1066744078 /nfs/dbraw/zinc/74/40/78/1066744078.db2.gz WRHUMSCBDKVKJR-HNNXBMFYSA-N 1 0 455.194 4.420 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(S(=O)(=O)N(C)C(C)C)ccc3C)CC2)cc1 ZINC001317870749 1066744998 /nfs/dbraw/zinc/74/49/98/1066744998.db2.gz CTIBSSGRGJWYLK-UHFFFAOYSA-N 1 0 472.655 4.072 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001317899216 1066769759 /nfs/dbraw/zinc/76/97/59/1066769759.db2.gz NLXVFOBOWWHNSY-FQEVSTJZSA-N 1 0 469.611 4.164 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)[NH+]2CCCCC2)cc1 ZINC001317917258 1066785322 /nfs/dbraw/zinc/78/53/22/1066785322.db2.gz OTEBDSJGVXKJRX-DEOSSOPVSA-N 1 0 474.561 4.005 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC001348918573 1066789986 /nfs/dbraw/zinc/78/99/86/1066789986.db2.gz FGORZOXJDYFDBN-PTUXOGIPSA-N 1 0 456.631 4.193 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)ccc1N1CC[NH+](C)CC1 ZINC001317960310 1066813759 /nfs/dbraw/zinc/81/37/59/1066813759.db2.gz GHDSNFLQVCAELM-GOSISDBHSA-N 1 0 461.393 4.045 20 0 JIADRO CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001317990964 1066836701 /nfs/dbraw/zinc/83/67/01/1066836701.db2.gz SLUKWUGTYRIMHD-UHFFFAOYSA-N 1 0 457.640 4.238 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC2CCCCC2)c1 ZINC001492546975 1066856608 /nfs/dbraw/zinc/85/66/08/1066856608.db2.gz JSDWAJHMIJPIGQ-UHFFFAOYSA-N 1 0 455.647 4.435 20 0 JIADRO CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001349614836 1066860582 /nfs/dbraw/zinc/86/05/82/1066860582.db2.gz IVECIWJDHLKMGU-LOSJGSFVSA-N 1 0 456.590 4.464 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)ccn1 ZINC001349627230 1066861603 /nfs/dbraw/zinc/86/16/03/1066861603.db2.gz QDPMNRWXHWDUDS-UHFFFAOYSA-N 1 0 450.486 4.340 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)Cc1ccccc1 ZINC001318062936 1066880067 /nfs/dbraw/zinc/88/00/67/1066880067.db2.gz NUFLHRKGWQLVDI-QHCPKHFHSA-N 1 0 456.594 4.173 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(Br)s2)cc1 ZINC001349755269 1066881324 /nfs/dbraw/zinc/88/13/24/1066881324.db2.gz QGCIHIYHGOOPIC-AWEZNQCLSA-N 1 0 452.418 4.324 20 0 JIADRO O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318078794 1066888545 /nfs/dbraw/zinc/88/85/45/1066888545.db2.gz VIRFXLFQRZTPSF-OAQYLSRUSA-N 1 0 490.583 4.474 20 0 JIADRO O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318083007 1066890684 /nfs/dbraw/zinc/89/06/84/1066890684.db2.gz WCLLIRNJONSVEW-GOSISDBHSA-N 1 0 487.526 4.136 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084774 1066892501 /nfs/dbraw/zinc/89/25/01/1066892501.db2.gz VJBBAEWZFWBUGR-RAHIQWLESA-N 1 0 479.621 4.036 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001318104454 1066901314 /nfs/dbraw/zinc/90/13/14/1066901314.db2.gz TUMBWSKEWVWCGO-NRFANRHFSA-N 1 0 456.384 4.288 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)c2nccs2)c1 ZINC001492547334 1066919924 /nfs/dbraw/zinc/91/99/24/1066919924.db2.gz VTAUIUVPXUZPMV-HXUWFJFHSA-N 1 0 454.644 4.204 20 0 JIADRO CCSCc1cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC001350123405 1066921113 /nfs/dbraw/zinc/92/11/13/1066921113.db2.gz KGTOZDDPVSYNRJ-UHFFFAOYSA-N 1 0 450.608 4.498 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001318143071 1066922569 /nfs/dbraw/zinc/92/25/69/1066922569.db2.gz KIHBQRVCHAUYDJ-UHFFFAOYSA-N 1 0 487.560 4.106 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318147169 1066924591 /nfs/dbraw/zinc/92/45/91/1066924591.db2.gz JOFCAJVNRZLWFW-QFIPXVFZSA-N 1 0 466.626 4.423 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCC([C@@H]4c5ccccc5NC4=O)CC3)CC2)c1 ZINC001318169053 1066936137 /nfs/dbraw/zinc/93/61/37/1066936137.db2.gz RDKMBCHKTPBKQF-HHHXNRCGSA-N 1 0 489.664 4.055 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001318174326 1066939893 /nfs/dbraw/zinc/93/98/93/1066939893.db2.gz XNBKSPYBBFLWET-QGZVFWFLSA-N 1 0 471.577 4.153 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001318174325 1066939911 /nfs/dbraw/zinc/93/99/11/1066939911.db2.gz XNBKSPYBBFLWET-KRWDZBQOSA-N 1 0 471.577 4.153 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001318176790 1066940655 /nfs/dbraw/zinc/94/06/55/1066940655.db2.gz SWQBQKOYCKRABO-PMACEKPBSA-N 1 0 456.606 4.310 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001350341879 1066945495 /nfs/dbraw/zinc/94/54/95/1066945495.db2.gz XFZJAWAFIYOLAB-MRXNPFEDSA-N 1 0 454.514 4.285 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318203334 1066956034 /nfs/dbraw/zinc/95/60/34/1066956034.db2.gz RHHCZQCRLYIMMS-QFIPXVFZSA-N 1 0 476.543 4.083 20 0 JIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318204104 1066956878 /nfs/dbraw/zinc/95/68/78/1066956878.db2.gz YJVPJQQSZGEYRQ-NZQKXSOJSA-N 1 0 455.002 4.081 20 0 JIADRO COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001318205530 1066957950 /nfs/dbraw/zinc/95/79/50/1066957950.db2.gz JRMXYJOFZKKSCV-GOSISDBHSA-N 1 0 472.383 4.020 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)c3cccnc3SCc3ccc(F)cc3)c2)CC1 ZINC001318225177 1066969594 /nfs/dbraw/zinc/96/95/94/1066969594.db2.gz IEGLWIWTFKYNTG-UHFFFAOYSA-N 1 0 464.610 4.190 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492547834 1066974129 /nfs/dbraw/zinc/97/41/29/1066974129.db2.gz LCAHBJMJMKGXKE-HXUWFJFHSA-N 1 0 469.552 4.052 20 0 JIADRO COc1cc(Br)c(CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1OC ZINC001318240068 1066979133 /nfs/dbraw/zinc/97/91/33/1066979133.db2.gz DBPXVCCYVGHLQJ-UHFFFAOYSA-N 1 0 476.415 4.192 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)cn3)cc2)CC1 ZINC001350699873 1066990130 /nfs/dbraw/zinc/99/01/30/1066990130.db2.gz NHMOZAYBXQKGNE-UHFFFAOYSA-N 1 0 454.372 4.029 20 0 JIADRO Cc1nc(CSc2ccccc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cs1 ZINC001318263335 1066990604 /nfs/dbraw/zinc/99/06/04/1066990604.db2.gz XBVJOVGKCGHBKP-UHFFFAOYSA-N 1 0 452.649 4.426 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 ZINC001318293234 1067005196 /nfs/dbraw/zinc/00/51/96/1067005196.db2.gz HOIIIHMXERKNCZ-UHFFFAOYSA-N 1 0 494.643 4.350 20 0 JIADRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305110 1067009139 /nfs/dbraw/zinc/00/91/39/1067009139.db2.gz BFJPSSAJAFKDHF-XXBNENTESA-N 1 0 477.432 4.451 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC001350860361 1067011824 /nfs/dbraw/zinc/01/18/24/1067011824.db2.gz VAEUSHCWUOJPFV-IZZNHLLZSA-N 1 0 477.630 4.100 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC001318317189 1067014133 /nfs/dbraw/zinc/01/41/33/1067014133.db2.gz DGRQMHHDLCAIIU-UHFFFAOYSA-N 1 0 471.630 4.342 20 0 JIADRO FC(F)(F)c1ccccc1C[NH+]1CCC(NC(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC001200743313 1067028691 /nfs/dbraw/zinc/02/86/91/1067028691.db2.gz SPDNNAGXTRYYJG-UHFFFAOYSA-N 1 0 451.514 4.063 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300687961 1067031162 /nfs/dbraw/zinc/03/11/62/1067031162.db2.gz RXDLTGBNVCXVLN-HOJAQTOUSA-N 1 0 487.695 4.151 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)c2cccs2)CC1 ZINC001351009342 1067031507 /nfs/dbraw/zinc/03/15/07/1067031507.db2.gz XWSVUCAFZFSBLN-MRXNPFEDSA-N 1 0 451.518 4.252 20 0 JIADRO Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1N1CCCC1=O ZINC001318379608 1067034801 /nfs/dbraw/zinc/03/48/01/1067034801.db2.gz BKDJXXKTWNOCIX-UHFFFAOYSA-N 1 0 470.017 4.109 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)[NH+]2CCCCC2)cc1 ZINC001351032830 1067035360 /nfs/dbraw/zinc/03/53/60/1067035360.db2.gz HQYQGYKIYFFVNN-NRFANRHFSA-N 1 0 454.571 4.394 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1 ZINC001318386044 1067035989 /nfs/dbraw/zinc/03/59/89/1067035989.db2.gz DPOFEIPSUCCWKN-LLVKDONJSA-N 1 0 450.292 4.055 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cnc(Br)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC001354677335 1067037885 /nfs/dbraw/zinc/03/78/85/1067037885.db2.gz JPUOONOSTDOSPN-GOSISDBHSA-N 1 0 452.780 4.463 20 0 JIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001200751682 1067041840 /nfs/dbraw/zinc/04/18/40/1067041840.db2.gz RMNQYALZJWLEJT-UHFFFAOYSA-N 1 0 458.653 4.058 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001492548782 1067044284 /nfs/dbraw/zinc/04/42/84/1067044284.db2.gz KXDIMYUTHPXUJX-GGAORHGYSA-N 1 0 457.688 4.475 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)c2)CC1 ZINC001318457437 1067044635 /nfs/dbraw/zinc/04/46/35/1067044635.db2.gz IGMMUFMTNOCBCH-UHFFFAOYSA-N 1 0 471.577 4.081 20 0 JIADRO CN1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](c2ccccc2)C1 ZINC001351191125 1067057881 /nfs/dbraw/zinc/05/78/81/1067057881.db2.gz NBDVCHWKHYTFLU-GOSISDBHSA-N 1 0 452.190 4.269 20 0 JIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001319301929 1067072035 /nfs/dbraw/zinc/07/20/35/1067072035.db2.gz HCDYSPGPBHVLOO-DEOSSOPVSA-N 1 0 495.023 4.195 20 0 JIADRO COC1CCC(CCn2c(COc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001300724017 1067124009 /nfs/dbraw/zinc/12/40/09/1067124009.db2.gz ZZUHLQSXHTUSHR-UHFFFAOYSA-N 1 0 473.637 4.370 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001321474391 1067138733 /nfs/dbraw/zinc/13/87/33/1067138733.db2.gz MATJPTOJKZPWEF-VWLOTQADSA-N 1 0 491.636 4.318 20 0 JIADRO COc1ccc(COCc2cccc(NC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)c2)cc1 ZINC001321513026 1067152442 /nfs/dbraw/zinc/15/24/42/1067152442.db2.gz LGQHAQDANIDGFE-UHFFFAOYSA-N 1 0 488.632 4.481 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cn(-c3ccc(Br)cc3)nn2)CC1 ZINC001321611694 1067175139 /nfs/dbraw/zinc/17/51/39/1067175139.db2.gz BFSYPQVOMSFCCJ-UHFFFAOYSA-N 1 0 489.805 4.077 20 0 JIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c1 ZINC001321650577 1067188732 /nfs/dbraw/zinc/18/87/32/1067188732.db2.gz NQQBFMCWBWNZNO-HXUWFJFHSA-N 1 0 462.594 4.295 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001200804025 1067216120 /nfs/dbraw/zinc/21/61/20/1067216120.db2.gz IACBOUQLTHDBOC-CYBMUJFWSA-N 1 0 495.256 4.138 20 0 JIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC001321835229 1067216810 /nfs/dbraw/zinc/21/68/10/1067216810.db2.gz ZPUCMBIHMFSECR-QFIPXVFZSA-N 1 0 455.599 4.471 20 0 JIADRO COc1ccc(Br)cc1C1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC001351844212 1067221606 /nfs/dbraw/zinc/22/16/06/1067221606.db2.gz SMFUYCLVTQISAG-UHFFFAOYSA-N 1 0 458.400 4.188 20 0 JIADRO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492549605 1067245524 /nfs/dbraw/zinc/24/55/24/1067245524.db2.gz HQVDTIKMRPYXDW-BGYRXZFFSA-N 1 0 451.619 4.399 20 0 JIADRO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001492549764 1067249129 /nfs/dbraw/zinc/24/91/29/1067249129.db2.gz METOJBNMUQVBAG-UHFFFAOYSA-N 1 0 451.619 4.401 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492549903 1067250287 /nfs/dbraw/zinc/25/02/87/1067250287.db2.gz RUQIJVSIMGRNFA-CEMLEFRQSA-N 1 0 495.590 4.157 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152548 1067258231 /nfs/dbraw/zinc/25/82/31/1067258231.db2.gz ADANBIQQGXGXAZ-SCTDOJESSA-N 1 0 461.606 4.185 20 0 JIADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001322240550 1067266512 /nfs/dbraw/zinc/26/65/12/1067266512.db2.gz DSRJAOMSNAHCKV-UHFFFAOYSA-N 1 0 463.548 4.083 20 0 JIADRO C[C@]12CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]1C2(Br)Br ZINC001300753202 1067278128 /nfs/dbraw/zinc/27/81/28/1067278128.db2.gz VMEGPWIEWZFUKL-LMMKCTJWSA-N 1 0 470.249 4.253 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001354919678 1067280726 /nfs/dbraw/zinc/28/07/26/1067280726.db2.gz AJHSZHFCAMWGTF-MRXNPFEDSA-N 1 0 454.514 4.285 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300756615 1067284335 /nfs/dbraw/zinc/28/43/35/1067284335.db2.gz YAZFCBRDUPMKDP-SIKLNZKXSA-N 1 0 459.610 4.294 20 0 JIADRO CN(C)c1nc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cs1 ZINC001354932272 1067287683 /nfs/dbraw/zinc/28/76/83/1067287683.db2.gz NDZHSHGYTLYOIV-FCHUYYIVSA-N 1 0 455.027 4.395 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC001322424427 1067290194 /nfs/dbraw/zinc/29/01/94/1067290194.db2.gz SUYSWLRZYKEDLV-UHFFFAOYSA-N 1 0 489.620 4.019 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300759134 1067294368 /nfs/dbraw/zinc/29/43/68/1067294368.db2.gz GJPCXYZGIOIGTD-SFHVURJKSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001300761041 1067299591 /nfs/dbraw/zinc/29/95/91/1067299591.db2.gz PMQSXWNFVBHJIU-NRFANRHFSA-N 1 0 467.614 4.320 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)CC2)no1 ZINC000500631345 1067302915 /nfs/dbraw/zinc/30/29/15/1067302915.db2.gz UCKGGLVOCJVWMQ-KDURUIRLSA-N 1 0 467.614 4.021 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC001322591070 1067304654 /nfs/dbraw/zinc/30/46/54/1067304654.db2.gz URIXKYHASDCENY-UHFFFAOYSA-N 1 0 462.685 4.232 20 0 JIADRO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001354966020 1067308905 /nfs/dbraw/zinc/30/89/05/1067308905.db2.gz QXPAOBYSZABLMP-QHCPKHFHSA-N 1 0 453.652 4.143 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)CC2)cc1 ZINC001322874668 1067310398 /nfs/dbraw/zinc/31/03/98/1067310398.db2.gz QNOIFKNMIZYVPA-JOCHJYFZSA-N 1 0 484.666 4.155 20 0 JIADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC001323086101 1067314348 /nfs/dbraw/zinc/31/43/48/1067314348.db2.gz XJIWZKISPIBGKH-VPUSJEBWSA-N 1 0 473.621 4.454 20 0 JIADRO CN1CC[N@H+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@@H](c2ccccc2)C1 ZINC001323217156 1067316279 /nfs/dbraw/zinc/31/62/79/1067316279.db2.gz JFBIKBNSMNWKSC-XMMPIXPASA-N 1 0 461.610 4.096 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CCCC[NH+]2CCC(C)CC2)cc1OC ZINC001300000275 1067335444 /nfs/dbraw/zinc/33/54/44/1067335444.db2.gz AHHGAWSWNKNITK-UHFFFAOYSA-N 1 0 469.552 4.473 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300000523 1067336985 /nfs/dbraw/zinc/33/69/85/1067336985.db2.gz HBYJZMXEAJDLBC-UZTOHYMASA-N 1 0 495.672 4.151 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC001300001348 1067339287 /nfs/dbraw/zinc/33/92/87/1067339287.db2.gz WQBNRYQNWSGWDP-DEOSSOPVSA-N 1 0 495.672 4.151 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CCC[NH+]2CCC(C)CC2)n1 ZINC001492497844 1067339616 /nfs/dbraw/zinc/33/96/16/1067339616.db2.gz KIWVPLULPIVWNL-UHFFFAOYSA-N 1 0 489.668 4.462 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CCOc2ccc(Cl)cc2)n1 ZINC001492497900 1067339781 /nfs/dbraw/zinc/33/97/81/1067339781.db2.gz LUSJPAVYLVZMAR-UHFFFAOYSA-N 1 0 499.059 4.176 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001300782783 1067339893 /nfs/dbraw/zinc/33/98/93/1067339893.db2.gz PQPSMCVTWAUCTG-UHFFFAOYSA-N 1 0 498.716 4.093 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492497959 1067340264 /nfs/dbraw/zinc/34/02/64/1067340264.db2.gz NOMOGXHLOSHCHF-QPPBQGQZSA-N 1 0 462.642 4.245 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@H](C)C[NH+]2CCCCC2)n1 ZINC001492498135 1067340669 /nfs/dbraw/zinc/34/06/69/1067340669.db2.gz SLQJXNBKXIKXBI-HXUWFJFHSA-N 1 0 489.668 4.462 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001300785008 1067345233 /nfs/dbraw/zinc/34/52/33/1067345233.db2.gz IAUJGMMHYPTPGW-UHFFFAOYSA-N 1 0 483.701 4.461 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001300785355 1067346679 /nfs/dbraw/zinc/34/66/79/1067346679.db2.gz POPKWULOJAZIBM-DNVJHFABSA-N 1 0 461.695 4.467 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001300785818 1067347817 /nfs/dbraw/zinc/34/78/17/1067347817.db2.gz ODAMPDYCYSHJLX-MJGOQNOKSA-N 1 0 473.584 4.188 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cn4ccccc4n3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001300785774 1067347828 /nfs/dbraw/zinc/34/78/28/1067347828.db2.gz NNKZRFOYHFNGIB-UHFFFAOYSA-N 1 0 481.689 4.277 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001300785932 1067348116 /nfs/dbraw/zinc/34/81/16/1067348116.db2.gz SLQUAAITGPTOGO-RTBURBONSA-N 1 0 491.677 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001300786124 1067348652 /nfs/dbraw/zinc/34/86/52/1067348652.db2.gz KPIUSFQIRMIAED-UHFFFAOYSA-N 1 0 487.714 4.387 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001300787349 1067350579 /nfs/dbraw/zinc/35/05/79/1067350579.db2.gz SVRPUVFZHCRITG-UHFFFAOYSA-N 1 0 465.564 4.174 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001300787309 1067350821 /nfs/dbraw/zinc/35/08/21/1067350821.db2.gz SKLSXIAAVAGKLZ-JOCHJYFZSA-N 1 0 461.695 4.152 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccccc2C)CC1 ZINC001300787517 1067351538 /nfs/dbraw/zinc/35/15/38/1067351538.db2.gz WZJAXXVLLPQZGN-QHCPKHFHSA-N 1 0 455.647 4.354 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001300788124 1067353557 /nfs/dbraw/zinc/35/35/57/1067353557.db2.gz ZYCYIQUFQUXDIL-OAQYLSRUSA-N 1 0 471.715 4.285 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300007088 1067356561 /nfs/dbraw/zinc/35/65/61/1067356561.db2.gz XJQOMICCAHYRPH-GOSISDBHSA-N 1 0 470.643 4.320 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492554440 1067368890 /nfs/dbraw/zinc/36/88/90/1067368890.db2.gz WNFYENBNDICRHL-OAQYLSRUSA-N 1 0 452.647 4.142 20 0 JIADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccccc4Cl)cc(c32)C1=O ZINC001200861789 1067369176 /nfs/dbraw/zinc/36/91/76/1067369176.db2.gz TWQXYQNAYISOOE-UHFFFAOYSA-N 1 0 452.967 4.460 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300015182 1067372482 /nfs/dbraw/zinc/37/24/82/1067372482.db2.gz MKOJCEGQYARDIP-NHCUHLMSSA-N 1 0 495.672 4.052 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300024935 1067394714 /nfs/dbraw/zinc/39/47/14/1067394714.db2.gz QEBLAIOKZQJPLU-QHCPKHFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300025933 1067397388 /nfs/dbraw/zinc/39/73/88/1067397388.db2.gz WWBPTWUJHYJNNG-QBKLZVOZSA-N 1 0 471.646 4.086 20 0 JIADRO CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001355374800 1067437816 /nfs/dbraw/zinc/43/78/16/1067437816.db2.gz HWOXSGYMIMXZJD-LOSJGSFVSA-N 1 0 461.993 4.313 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300036927 1067446740 /nfs/dbraw/zinc/44/67/40/1067446740.db2.gz VIDGWVHGXICNSR-HOTGVXAUSA-N 1 0 462.436 4.435 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001300037211 1067447634 /nfs/dbraw/zinc/44/76/34/1067447634.db2.gz YNPLLJZIDJALJU-RBUKOAKNSA-N 1 0 471.646 4.086 20 0 JIADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000501080270 1067448580 /nfs/dbraw/zinc/44/85/80/1067448580.db2.gz SXTFLYIJWRCJFY-SFHVURJKSA-N 1 0 455.653 4.344 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300038030 1067450170 /nfs/dbraw/zinc/45/01/70/1067450170.db2.gz JOOZNGUUZFHVQA-XZOQPEGZSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2C[C@@H](C)OC)cc1 ZINC001300040227 1067461442 /nfs/dbraw/zinc/46/14/42/1067461442.db2.gz IVHXJNMUXCRJIS-NHCUHLMSSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300040769 1067464416 /nfs/dbraw/zinc/46/44/16/1067464416.db2.gz BUEGRXIWUMQHCG-SFTDATJTSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300041492 1067470878 /nfs/dbraw/zinc/47/08/78/1067470878.db2.gz RUFAWZAJWPHAMY-LJQANCHMSA-N 1 0 480.440 4.210 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2Cc2cnccc2OC)cc1Br ZINC001300041740 1067474427 /nfs/dbraw/zinc/47/44/27/1067474427.db2.gz MDPMYJCWJZKCKI-UHFFFAOYSA-N 1 0 494.340 4.404 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300050865 1067510975 /nfs/dbraw/zinc/51/09/75/1067510975.db2.gz VPAYJFFZUFQADU-VSKRKVRLSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001300051114 1067513098 /nfs/dbraw/zinc/51/30/98/1067513098.db2.gz XXJQDFGFFWUPHN-MJGOQNOKSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300051121 1067513122 /nfs/dbraw/zinc/51/31/22/1067513122.db2.gz BZYIVAFROHCZGS-YPCDYVTLSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300051222 1067513904 /nfs/dbraw/zinc/51/39/04/1067513904.db2.gz DSSNTBZLMCUHEU-FQRUVTKNSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300051580 1067516816 /nfs/dbraw/zinc/51/68/16/1067516816.db2.gz KNSVLMPWCPCYFG-OZXSUGGESA-N 1 0 455.647 4.470 20 0 JIADRO COCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC001355592939 1067520340 /nfs/dbraw/zinc/52/03/40/1067520340.db2.gz GLCOLRKOSMJDGF-UHFFFAOYSA-N 1 0 451.489 4.125 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492582261 1067523182 /nfs/dbraw/zinc/52/31/82/1067523182.db2.gz BMCOOTHQDHRGTL-HSZRJFAPSA-N 1 0 480.701 4.039 20 0 JIADRO COc1ccc(CCNC(=S)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cc1OC ZINC001200073922 1067531972 /nfs/dbraw/zinc/53/19/72/1067531972.db2.gz YQRUSWGNBWHLLS-BVSLBCMMSA-N 1 0 473.708 4.415 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492582936 1067535614 /nfs/dbraw/zinc/53/56/14/1067535614.db2.gz YJNDGMALQQLBDD-JOCHJYFZSA-N 1 0 480.701 4.040 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300057427 1067545747 /nfs/dbraw/zinc/54/57/47/1067545747.db2.gz UMVSOPSSSNUILO-IRLDBZIGSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300060251 1067557893 /nfs/dbraw/zinc/55/78/93/1067557893.db2.gz NLBGXELUDCJYCK-MZKRTTBSSA-N 1 0 455.647 4.466 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492584260 1067558830 /nfs/dbraw/zinc/55/88/30/1067558830.db2.gz HBBQZDGYLAWMMI-LADGPHEKSA-N 1 0 496.700 4.497 20 0 JIADRO COc1ccc(CCNC(=S)Nc2cccc(F)c2OCC2CC[NH+](C)CC2)cc1OC ZINC001200081850 1067566177 /nfs/dbraw/zinc/56/61/77/1067566177.db2.gz PGXZPOHRRGWDQF-UHFFFAOYSA-N 1 0 461.603 4.093 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492584000 1067567925 /nfs/dbraw/zinc/56/79/25/1067567925.db2.gz AVRZLQPTYIOTGR-NFBKMPQASA-N 1 0 497.631 4.162 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)c(OC)c1 ZINC001300062189 1067568976 /nfs/dbraw/zinc/56/89/76/1067568976.db2.gz AWXSBQYSWOALNZ-RTWAWAEBSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCCOCC3)n2CCCCC[NH+]2CCCC2)cc1Br ZINC001300063414 1067573112 /nfs/dbraw/zinc/57/31/12/1067573112.db2.gz RNEOMBMYEWSPKT-UHFFFAOYSA-N 1 0 492.462 4.209 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCSCC(C)C)c(OC)c1 ZINC001300067747 1067583951 /nfs/dbraw/zinc/58/39/51/1067583951.db2.gz TYLGQWDQVNHONO-UHFFFAOYSA-N 1 0 461.676 4.272 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCOC(C)C)cc1OC ZINC001300067748 1067584222 /nfs/dbraw/zinc/58/42/22/1067584222.db2.gz TZJFJRRRTYBBRB-UHFFFAOYSA-N 1 0 459.635 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300075454 1067600816 /nfs/dbraw/zinc/60/08/16/1067600816.db2.gz MDUAYHBKCXGHLK-IBGZPJMESA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001300075508 1067601176 /nfs/dbraw/zinc/60/11/76/1067601176.db2.gz NGXSMFAUVVRNLO-MHZLTWQESA-N 1 0 469.674 4.453 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076418 1067603407 /nfs/dbraw/zinc/60/34/07/1067603407.db2.gz OSPJMASFWIEOKW-FYYLOGMGSA-N 1 0 498.672 4.178 20 0 JIADRO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1NS(C)(=O)=O ZINC001200097657 1067605736 /nfs/dbraw/zinc/60/57/36/1067605736.db2.gz DYUDKPAMRQMDII-UKILVPOCSA-N 1 0 478.618 4.156 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)c(OC)c1 ZINC001300077919 1067609496 /nfs/dbraw/zinc/60/94/96/1067609496.db2.gz CQTXWIRXLQCMPE-MHZLTWQESA-N 1 0 485.673 4.478 20 0 JIADRO O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)Nc1ccc(F)c(F)c1F ZINC001352662157 1067610974 /nfs/dbraw/zinc/61/09/74/1067610974.db2.gz VVHWCTPRHKFTER-IAGOWNOFSA-N 1 0 473.520 4.136 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300082753 1067621013 /nfs/dbraw/zinc/62/10/13/1067621013.db2.gz FRJJWSJZMVPCDT-DHIUTWEWSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300087611 1067633387 /nfs/dbraw/zinc/63/33/87/1067633387.db2.gz IDWQRIGZUYUFJB-WOJBJXKFSA-N 1 0 473.687 4.415 20 0 JIADRO CCc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001356030622 1067640100 /nfs/dbraw/zinc/64/01/00/1067640100.db2.gz UYQUUDFFWDUBGY-QGZVFWFLSA-N 1 0 458.393 4.483 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300089963 1067643940 /nfs/dbraw/zinc/64/39/40/1067643940.db2.gz UXPSGBKKPSQDAU-OAQYLSRUSA-N 1 0 486.661 4.176 20 0 JIADRO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001200109922 1067646585 /nfs/dbraw/zinc/64/65/85/1067646585.db2.gz UJJCRRJQFDCOMP-NMMYMHLASA-N 1 0 485.053 4.253 20 0 JIADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001356057657 1067646893 /nfs/dbraw/zinc/64/68/93/1067646893.db2.gz VNXYKXIXZOPEBZ-QGZVFWFLSA-N 1 0 455.400 4.235 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300094165 1067655877 /nfs/dbraw/zinc/65/58/77/1067655877.db2.gz GLQIMEBTZMYIPY-UNMCSNQZSA-N 1 0 498.672 4.040 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300095787 1067659661 /nfs/dbraw/zinc/65/96/61/1067659661.db2.gz YOOLDMMRTJWVDF-FOIQADDNSA-N 1 0 473.419 4.336 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)ccn1 ZINC001356137654 1067669167 /nfs/dbraw/zinc/66/91/67/1067669167.db2.gz RYWAMXRAVUAVFE-JOCHJYFZSA-N 1 0 454.368 4.304 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001300100239 1067675127 /nfs/dbraw/zinc/67/51/27/1067675127.db2.gz SWAROUFHDOIYDS-OAQYLSRUSA-N 1 0 494.684 4.196 20 0 JIADRO COC(=O)[C@]1(NC(=O)CCn2ccc3cc(Cl)ccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC001300101566 1067676945 /nfs/dbraw/zinc/67/69/45/1067676945.db2.gz URFPGVDFNOJJIR-VWLOTQADSA-N 1 0 453.970 4.009 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001300103796 1067685093 /nfs/dbraw/zinc/68/50/93/1067685093.db2.gz DQEKNFJMPKSDOD-OAQYLSRUSA-N 1 0 460.626 4.234 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300104952 1067688572 /nfs/dbraw/zinc/68/85/72/1067688572.db2.gz LEFDMELPVHSXTP-AWRGLXIESA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300107782 1067701388 /nfs/dbraw/zinc/70/13/88/1067701388.db2.gz JSOCNKQYKXDIDU-XMMPIXPASA-N 1 0 496.744 4.359 20 0 JIADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)c1 ZINC001200126919 1067704548 /nfs/dbraw/zinc/70/45/48/1067704548.db2.gz KWNVGKOHHZWNMB-INIZCTEOSA-N 1 0 457.983 4.032 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001300108589 1067705314 /nfs/dbraw/zinc/70/53/14/1067705314.db2.gz VBDKWFSEWUEINN-FGZHOGPDSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(-c2ncc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)s2)cc1OC ZINC001352789305 1067725083 /nfs/dbraw/zinc/72/50/83/1067725083.db2.gz KFUSXYUMXRXAJH-UHFFFAOYSA-N 1 0 452.580 4.140 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC001356353288 1067733771 /nfs/dbraw/zinc/73/37/71/1067733771.db2.gz RVQNEJXDLRKEFW-AWEZNQCLSA-N 1 0 456.509 4.466 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@]4(C3)CCCOC4)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300119521 1067733973 /nfs/dbraw/zinc/73/39/73/1067733973.db2.gz HEMMZBABVUKZCV-HOFKKMOUSA-N 1 0 469.674 4.055 20 0 JIADRO Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CCC2=O)c1 ZINC001356378850 1067740230 /nfs/dbraw/zinc/74/02/30/1067740230.db2.gz YWKDTOMZRSOBQW-UHFFFAOYSA-N 1 0 450.608 4.016 20 0 JIADRO O=C(OCc1ccccc1)c1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c[nH]1 ZINC001200142402 1067742685 /nfs/dbraw/zinc/74/26/85/1067742685.db2.gz XDXKHQMVQRBEAO-UHFFFAOYSA-N 1 0 457.324 4.195 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOC(C)C)cc1 ZINC001300123021 1067742725 /nfs/dbraw/zinc/74/27/25/1067742725.db2.gz NEOQOXNBSHAZKN-UHFFFAOYSA-N 1 0 457.663 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC2(OC)CCC(C)CC2)cc1 ZINC001300125442 1067750621 /nfs/dbraw/zinc/75/06/21/1067750621.db2.gz DITZICYRPPAESL-UHFFFAOYSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300125479 1067750668 /nfs/dbraw/zinc/75/06/68/1067750668.db2.gz GGGICLVCIYORKG-NRFANRHFSA-N 1 0 495.590 4.104 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cc1 ZINC001352841930 1067760313 /nfs/dbraw/zinc/76/03/13/1067760313.db2.gz IRINEKRAAUMPCX-UHFFFAOYSA-N 1 0 451.958 4.121 20 0 JIADRO C[C@H]1C[C@H](CCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC001356501351 1067765010 /nfs/dbraw/zinc/76/50/10/1067765010.db2.gz JHJYNCMTNQPTGA-HKUYNNGSSA-N 1 0 458.628 4.198 20 0 JIADRO O=C(c1cccc(Cn2ccnn2)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001352864639 1067772925 /nfs/dbraw/zinc/77/29/25/1067772925.db2.gz VXXQIBBOYHUGAL-UHFFFAOYSA-N 1 0 458.393 4.371 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Cc2c[nH]c3cccc(OC)c23)ccc1Cl ZINC001356554382 1067777105 /nfs/dbraw/zinc/77/71/05/1067777105.db2.gz JFJQFYRVUZWWOQ-UHFFFAOYSA-N 1 0 456.974 4.083 20 0 JIADRO O=C(C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001352880745 1067780158 /nfs/dbraw/zinc/78/01/58/1067780158.db2.gz MNWCJFDZFFOTFC-UHFFFAOYSA-N 1 0 455.805 4.471 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(Br)c(F)cc2F)c1 ZINC001356611048 1067789815 /nfs/dbraw/zinc/78/98/15/1067789815.db2.gz BOTCAAKCCOWVDD-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(Br)ccc1C ZINC001356623891 1067794446 /nfs/dbraw/zinc/79/44/46/1067794446.db2.gz UBMWBXGVFPLJKT-GOSISDBHSA-N 1 0 454.372 4.357 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2ccc(I)s2)c1 ZINC000849073209 1067796643 /nfs/dbraw/zinc/79/66/43/1067796643.db2.gz VAWIBDCEHLIKDX-UHFFFAOYSA-N 1 0 459.353 4.329 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492584454 1067797814 /nfs/dbraw/zinc/79/78/14/1067797814.db2.gz LDKSDIZTYLLNBN-DHIUTWEWSA-N 1 0 496.700 4.403 20 0 JIADRO COc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1F ZINC001300144555 1067798594 /nfs/dbraw/zinc/79/85/94/1067798594.db2.gz ZCFSAYQGXZSADB-UHFFFAOYSA-N 1 0 452.578 4.041 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1 ZINC001357148889 1067810901 /nfs/dbraw/zinc/81/09/01/1067810901.db2.gz UFSHCCIHURIEPA-UHFFFAOYSA-N 1 0 450.514 4.446 20 0 JIADRO COc1cc([C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc(OC)c1OC ZINC001357173452 1067814023 /nfs/dbraw/zinc/81/40/23/1067814023.db2.gz CXGUTJURWRPAJF-VEXUSMLFSA-N 1 0 475.589 4.200 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001300158118 1067814447 /nfs/dbraw/zinc/81/44/47/1067814447.db2.gz RWGHCJUYHURCOE-UHFFFAOYSA-N 1 0 482.673 4.122 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)cc1F ZINC001300159231 1067815434 /nfs/dbraw/zinc/81/54/34/1067815434.db2.gz UWUXOXFXEZYRFI-UHFFFAOYSA-N 1 0 459.610 4.005 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1F ZINC001300161996 1067816916 /nfs/dbraw/zinc/81/69/16/1067816916.db2.gz FBCCSWPJHXIWFM-OAQYLSRUSA-N 1 0 468.602 4.432 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC001300162375 1067817490 /nfs/dbraw/zinc/81/74/90/1067817490.db2.gz LEHVFTSQGPVDNY-WOJBJXKFSA-N 1 0 466.605 4.492 20 0 JIADRO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357205503 1067818263 /nfs/dbraw/zinc/81/82/63/1067818263.db2.gz MFSWCMXHMXKFNL-XMMPIXPASA-N 1 0 457.578 4.165 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CC[NH+]2CCCCC2)cc1OC(F)F ZINC001300163812 1067820625 /nfs/dbraw/zinc/82/06/25/1067820625.db2.gz CBYBMYCPIKQYLK-UHFFFAOYSA-N 1 0 474.556 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300164178 1067821279 /nfs/dbraw/zinc/82/12/79/1067821279.db2.gz JLLZBUOXHIRXRP-HXUWFJFHSA-N 1 0 466.611 4.291 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492585378 1067827461 /nfs/dbraw/zinc/82/74/61/1067827461.db2.gz FJRTUQMKCBPTFT-XMMPIXPASA-N 1 0 493.675 4.404 20 0 JIADRO CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C[NH+]4CCSCC4)cc3C)CC2=O)cc1 ZINC001357284181 1067830425 /nfs/dbraw/zinc/83/04/25/1067830425.db2.gz HPJCNQCJIBUIRA-QFIPXVFZSA-N 1 0 451.636 4.488 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300172050 1067831201 /nfs/dbraw/zinc/83/12/01/1067831201.db2.gz DMWGSOXNWHHYOE-PMACEKPBSA-N 1 0 473.662 4.018 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300176212 1067835730 /nfs/dbraw/zinc/83/57/30/1067835730.db2.gz LUQYDTPQHXVBBS-NRFANRHFSA-N 1 0 492.668 4.428 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300176262 1067835936 /nfs/dbraw/zinc/83/59/36/1067835936.db2.gz NDEOEFUXNCOPHG-IDISGSTGSA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300176372 1067836228 /nfs/dbraw/zinc/83/62/28/1067836228.db2.gz QWIRCAFHXYSNHS-WOJBJXKFSA-N 1 0 466.605 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCC2)c(OC)c1 ZINC001300177789 1067838681 /nfs/dbraw/zinc/83/86/81/1067838681.db2.gz VIJOHEIWTPWBSO-UHFFFAOYSA-N 1 0 469.655 4.458 20 0 JIADRO COc1ccc(CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C2CC2)cc1 ZINC001300181421 1067844126 /nfs/dbraw/zinc/84/41/26/1067844126.db2.gz DVHGPNJCDZXCTA-UHFFFAOYSA-N 1 0 455.647 4.155 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300182776 1067845084 /nfs/dbraw/zinc/84/50/84/1067845084.db2.gz XNSFVUSDAGUHDJ-DCFHFQCYSA-N 1 0 487.689 4.102 20 0 JIADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001473277440 1067852759 /nfs/dbraw/zinc/85/27/59/1067852759.db2.gz JJQZNKZRVWQCKD-FUHWJXTLSA-N 1 0 455.418 4.430 20 0 JIADRO C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)Oc1ccc(Br)cc1 ZINC001200221855 1067863577 /nfs/dbraw/zinc/86/35/77/1067863577.db2.gz DYQUBLYTTWGXTI-INIZCTEOSA-N 1 0 450.377 4.369 20 0 JIADRO CCOC(=O)COc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357541066 1067866857 /nfs/dbraw/zinc/86/68/57/1067866857.db2.gz JHRHTXALVJLHPP-JOCHJYFZSA-N 1 0 450.457 4.022 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC001200229427 1067873463 /nfs/dbraw/zinc/87/34/63/1067873463.db2.gz KFOADOYXNFIFIQ-UHFFFAOYSA-N 1 0 461.473 4.300 20 0 JIADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357579129 1067873919 /nfs/dbraw/zinc/87/39/19/1067873919.db2.gz RTYITFLHCAZIIN-AWEZNQCLSA-N 1 0 455.908 4.209 20 0 JIADRO C[C@H](CNC(=O)c1cc(Br)cc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC001357799656 1067902371 /nfs/dbraw/zinc/90/23/71/1067902371.db2.gz VYNBUXHYCKIIQU-CYBMUJFWSA-N 1 0 452.190 4.388 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300235573 1067926678 /nfs/dbraw/zinc/92/66/78/1067926678.db2.gz HNZPHJSFSNNSQZ-HXUWFJFHSA-N 1 0 450.027 4.057 20 0 JIADRO Cc1c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cccc1C(=O)N1CCSCC1 ZINC001357883282 1067929771 /nfs/dbraw/zinc/92/97/71/1067929771.db2.gz PRVXNRVGZIJSSO-UHFFFAOYSA-N 1 0 451.636 4.425 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300237137 1067931776 /nfs/dbraw/zinc/93/17/76/1067931776.db2.gz GEMHHILHIQRMFE-RBUKOAKNSA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300237838 1067934938 /nfs/dbraw/zinc/93/49/38/1067934938.db2.gz QDYFPUYLKINNKL-SFHVURJKSA-N 1 0 455.006 4.431 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3CCC[C@@H](C(F)(F)F)O3)cc2)C[C@H]1C ZINC001357904538 1067936907 /nfs/dbraw/zinc/93/69/07/1067936907.db2.gz JAEWNUHJGIEFKY-UBBRYJJRSA-N 1 0 456.549 4.202 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cscc3Br)cc2)C[C@H]1C ZINC001357905496 1067937728 /nfs/dbraw/zinc/93/77/28/1067937728.db2.gz KBHCOOJEZXHNKD-IYBDPMFKSA-N 1 0 451.430 4.450 20 0 JIADRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001200280447 1067945163 /nfs/dbraw/zinc/94/51/63/1067945163.db2.gz AFJTVVTUNYYEJP-KRWDZBQOSA-N 1 0 454.739 4.339 20 0 JIADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960234 1067960295 /nfs/dbraw/zinc/96/02/95/1067960295.db2.gz SWGOSYUKMJGJIQ-IRLDBZIGSA-N 1 0 455.549 4.221 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001200286693 1067962642 /nfs/dbraw/zinc/96/26/42/1067962642.db2.gz IJEXKYGJLZOVAU-OAQYLSRUSA-N 1 0 452.661 4.037 20 0 JIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cc(Br)ccc1-n1cccn1 ZINC001200287348 1067966040 /nfs/dbraw/zinc/96/60/40/1067966040.db2.gz SRUFGMHXPXTVLL-IBGZPJMESA-N 1 0 454.372 4.421 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001300247523 1067979487 /nfs/dbraw/zinc/97/94/87/1067979487.db2.gz MKQYUJMDRMENEA-UHFFFAOYSA-N 1 0 486.680 4.211 20 0 JIADRO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003607 1067981705 /nfs/dbraw/zinc/98/17/05/1067981705.db2.gz FZDJLHJYKHAWSE-WCQSIDKYSA-N 1 0 458.046 4.459 20 0 JIADRO C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358026516 1067991581 /nfs/dbraw/zinc/99/15/81/1067991581.db2.gz CNQGKQZZTWJKEH-CYBMUJFWSA-N 1 0 454.771 4.484 20 0 JIADRO C[NH+](C)CCOc1cc(CNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)ccn1 ZINC001358039207 1068000519 /nfs/dbraw/zinc/00/05/19/1068000519.db2.gz LHUDAMHCJYFTTI-UHFFFAOYSA-N 1 0 451.379 4.382 20 0 JIADRO Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039232 1068000668 /nfs/dbraw/zinc/00/06/68/1068000668.db2.gz LKEIIJNWIUKOJD-KOSHJBKYSA-N 1 0 455.965 4.028 20 0 JIADRO COc1ccc(OC)c(CN(CCO)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300252599 1068005186 /nfs/dbraw/zinc/00/51/86/1068005186.db2.gz BKQXNMDSNAKNCI-HXUWFJFHSA-N 1 0 487.689 4.102 20 0 JIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001353312421 1068020603 /nfs/dbraw/zinc/02/06/03/1068020603.db2.gz BSVDSMLYBJUNQJ-GOSISDBHSA-N 1 0 452.521 4.173 20 0 JIADRO CCNC(=O)COc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001353312840 1068020695 /nfs/dbraw/zinc/02/06/95/1068020695.db2.gz VOKVBIVRFYYMMQ-DHIUTWEWSA-N 1 0 463.603 4.117 20 0 JIADRO CN(c1ccc(NC(=O)[C@]2(C)CC2(Br)Br)cc1)C1CC[NH+](C)CC1 ZINC001358115590 1068022157 /nfs/dbraw/zinc/02/21/57/1068022157.db2.gz GWCMOQOUSRGXIS-KRWDZBQOSA-N 1 0 459.226 4.052 20 0 JIADRO CN(c1ccc(NC(=O)[C@@]2(C)CC2(Br)Br)cc1)C1CC[NH+](C)CC1 ZINC001358115591 1068022356 /nfs/dbraw/zinc/02/23/56/1068022356.db2.gz GWCMOQOUSRGXIS-QGZVFWFLSA-N 1 0 459.226 4.052 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCC(C)CC1)C[C@@H]2O ZINC001300262368 1068027618 /nfs/dbraw/zinc/02/76/18/1068027618.db2.gz XLMOVUOSURMPIB-CTNGQTDRSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccoc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263645 1068030442 /nfs/dbraw/zinc/03/04/42/1068030442.db2.gz KRPHDOIMXOBKFD-QFIPXVFZSA-N 1 0 453.587 4.216 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001492562997 1068034331 /nfs/dbraw/zinc/03/43/31/1068034331.db2.gz QCTZXPXETMRCRO-UHFFFAOYSA-N 1 0 470.662 4.477 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300265351 1068035183 /nfs/dbraw/zinc/03/51/83/1068035183.db2.gz SOXJATZMJPTKGA-XUNZJTMSSA-N 1 0 485.673 4.237 20 0 JIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001358188114 1068040111 /nfs/dbraw/zinc/04/01/11/1068040111.db2.gz OUOKJFVJKNFFPE-OFNKIYASSA-N 1 0 458.444 4.123 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCCS(C)(=O)=O ZINC001492563557 1068041008 /nfs/dbraw/zinc/04/10/08/1068041008.db2.gz FXMJRKSFQIMWBX-QFIPXVFZSA-N 1 0 487.714 4.169 20 0 JIADRO Cc1ccc2nc(-c3ccco3)cc(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC001358197431 1068042433 /nfs/dbraw/zinc/04/24/33/1068042433.db2.gz YHJYYLYYSCZAHY-UHFFFAOYSA-N 1 0 456.546 4.025 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492563706 1068043789 /nfs/dbraw/zinc/04/37/89/1068043789.db2.gz KCQXDNDOALLHNJ-SZPZYZBQSA-N 1 0 480.701 4.494 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc21 ZINC001358209899 1068044409 /nfs/dbraw/zinc/04/44/09/1068044409.db2.gz BXNJTYRYANBPTH-UHFFFAOYSA-N 1 0 452.898 4.249 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300270411 1068048982 /nfs/dbraw/zinc/04/89/82/1068048982.db2.gz FAVHTAVPAYAIBO-GOSISDBHSA-N 1 0 479.547 4.296 20 0 JIADRO COCCc1ccc(Oc2ccc(NC(=O)N3CCC(C)([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001200313016 1068049859 /nfs/dbraw/zinc/04/98/59/1068049859.db2.gz GNAFIOMNPNDVRZ-UHFFFAOYSA-N 1 0 453.583 4.386 20 0 JIADRO C[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc(I)cc1 ZINC001358253552 1068052271 /nfs/dbraw/zinc/05/22/71/1068052271.db2.gz TZSDZBUKHGVCSQ-INIZCTEOSA-N 1 0 450.364 4.422 20 0 JIADRO COCCc1ccc(Oc2ccc(NC(=O)N(C)CC[NH+]3CC4(C3)CCOCC4)cc2)cc1 ZINC001200314423 1068053203 /nfs/dbraw/zinc/05/32/03/1068053203.db2.gz MMDQBWVPBIBJQS-UHFFFAOYSA-N 1 0 453.583 4.244 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)ccc1OC ZINC001358314969 1068065303 /nfs/dbraw/zinc/06/53/03/1068065303.db2.gz UHTNXORUIMUSDL-UHFFFAOYSA-N 1 0 454.493 4.220 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492564507 1068066542 /nfs/dbraw/zinc/06/65/42/1068066542.db2.gz JXHKFJXXJLKFDR-RUZDIDTESA-N 1 0 457.688 4.475 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001492564750 1068070010 /nfs/dbraw/zinc/07/00/10/1068070010.db2.gz REHANTQLCNIHTD-UHFFFAOYSA-N 1 0 452.647 4.013 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280889 1068072361 /nfs/dbraw/zinc/07/23/61/1068072361.db2.gz ILZGIRSDOZIPGG-FQEVSTJZSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300284566 1068081241 /nfs/dbraw/zinc/08/12/41/1068081241.db2.gz QQYNEHRVWOJADL-LVXARBLLSA-N 1 0 471.646 4.136 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)ccc1NC(=O)c1cccs1 ZINC001358397655 1068081694 /nfs/dbraw/zinc/08/16/94/1068081694.db2.gz CDOLOSALKKXGLS-UHFFFAOYSA-N 1 0 450.564 4.451 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001300286470 1068086098 /nfs/dbraw/zinc/08/60/98/1068086098.db2.gz WPZDNNHHCCQUOL-IBGZPJMESA-N 1 0 481.563 4.376 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001200334008 1068103267 /nfs/dbraw/zinc/10/32/67/1068103267.db2.gz XFTWKKULHCXPGE-UHFFFAOYSA-N 1 0 460.640 4.421 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2CC(F)(F)C2)cc1 ZINC001300296312 1068121136 /nfs/dbraw/zinc/12/11/36/1068121136.db2.gz IXONCJJYQJZEHB-UHFFFAOYSA-N 1 0 477.600 4.469 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300296984 1068127473 /nfs/dbraw/zinc/12/74/73/1068127473.db2.gz RHAXKGLKUUJIOQ-BKMJKUGQSA-N 1 0 499.700 4.485 20 0 JIADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200364652 1068253550 /nfs/dbraw/zinc/25/35/50/1068253550.db2.gz OIIUGZHPGJOEAB-AWEZNQCLSA-N 1 0 450.370 4.494 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300333515 1068291038 /nfs/dbraw/zinc/29/10/38/1068291038.db2.gz BLVNULGERJMYCX-NRFANRHFSA-N 1 0 472.515 4.350 20 0 JIADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300334627 1068301866 /nfs/dbraw/zinc/30/18/66/1068301866.db2.gz HTWZVOCCBUZTIL-HARLFGEKSA-N 1 0 486.661 4.028 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)s2)cc1 ZINC000518166022 1068303436 /nfs/dbraw/zinc/30/34/36/1068303436.db2.gz SOECFTKZSSNWBU-RTBURBONSA-N 1 0 465.623 4.368 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)s2)cc1 ZINC000518166021 1068303602 /nfs/dbraw/zinc/30/36/02/1068303602.db2.gz SOECFTKZSSNWBU-OALUTQOASA-N 1 0 465.623 4.368 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001300334963 1068304675 /nfs/dbraw/zinc/30/46/75/1068304675.db2.gz LGGWUSMMIYMHOD-OAQYLSRUSA-N 1 0 468.690 4.415 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)c1C ZINC000518470180 1068308130 /nfs/dbraw/zinc/30/81/30/1068308130.db2.gz BQMBVHSJNPLYJQ-UHFFFAOYSA-N 1 0 462.598 4.080 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[C@H](OCC(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335823 1068309040 /nfs/dbraw/zinc/30/90/40/1068309040.db2.gz WSJAPWWFTRBIJA-ZEQRLZLVSA-N 1 0 455.647 4.499 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)s2)cc1 ZINC000518682123 1068309593 /nfs/dbraw/zinc/30/95/93/1068309593.db2.gz RPPOSIDFKSIBDE-QGZVFWFLSA-N 1 0 468.602 4.211 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)sc3Br)cc2)CC1 ZINC001353551674 1068315191 /nfs/dbraw/zinc/31/51/91/1068315191.db2.gz OGSINLXRRIJAHJ-UHFFFAOYSA-N 1 0 459.207 4.277 20 0 JIADRO CN(CCc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC001353551909 1068315549 /nfs/dbraw/zinc/31/55/49/1068315549.db2.gz SRQASOWDZNMNIZ-UHFFFAOYSA-N 1 0 452.599 4.100 20 0 JIADRO COc1ccc(CNc2nnc(S[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000519900202 1068317506 /nfs/dbraw/zinc/31/75/06/1068317506.db2.gz DSKBOPBDRXAQRP-XLIONFOSSA-N 1 0 483.663 4.030 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300340060 1068321114 /nfs/dbraw/zinc/32/11/14/1068321114.db2.gz KIXMCCLTZASTFH-HXUWFJFHSA-N 1 0 451.537 4.487 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300340583 1068323501 /nfs/dbraw/zinc/32/35/01/1068323501.db2.gz MWJLBMUXZDHLSM-CUBQBAPOSA-N 1 0 492.668 4.217 20 0 JIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Br)ccc1OC(F)F ZINC001353560775 1068323748 /nfs/dbraw/zinc/32/37/48/1068323748.db2.gz SPHUEVJYKXMNMB-UHFFFAOYSA-N 1 0 453.327 4.487 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300340848 1068325053 /nfs/dbraw/zinc/32/50/53/1068325053.db2.gz PVMMBFCDJGLBNT-RDPSFJRHSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC3(C2)CCOCC3)[NH+](C)C)c1 ZINC001300340805 1068325570 /nfs/dbraw/zinc/32/55/70/1068325570.db2.gz OZYAOBTYOIDYAB-QFIPXVFZSA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Nc3cccnn3)CC2)[NH+](C)C)c1 ZINC001300341851 1068329514 /nfs/dbraw/zinc/32/95/14/1068329514.db2.gz TWKPCXQZGBWHGM-HSZRJFAPSA-N 1 0 492.672 4.049 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300342288 1068330892 /nfs/dbraw/zinc/33/08/92/1068330892.db2.gz VTAYUIZVKIMWIR-XMMPIXPASA-N 1 0 496.700 4.116 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2nccs2)[NH+](C)C)c1 ZINC001300343140 1068334522 /nfs/dbraw/zinc/33/45/22/1068334522.db2.gz ZYRLAYSKKHHCRV-HXUWFJFHSA-N 1 0 468.652 4.335 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300343745 1068336669 /nfs/dbraw/zinc/33/66/69/1068336669.db2.gz PCCNDANMWFUMRB-JOCHJYFZSA-N 1 0 479.673 4.308 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)n1 ZINC000522380436 1068339812 /nfs/dbraw/zinc/33/98/12/1068339812.db2.gz WBCUDLCWNAQOOI-XWGVYQGASA-N 1 0 459.594 4.010 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001353593447 1068358510 /nfs/dbraw/zinc/35/85/10/1068358510.db2.gz PPIKYVPPIWIPGM-UHFFFAOYSA-N 1 0 455.002 4.331 20 0 JIADRO COc1cccc2c1CCC[C@@H]([NH2+]C1CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC1)C2 ZINC001474154264 1068362605 /nfs/dbraw/zinc/36/26/05/1068362605.db2.gz UTUGALGOYZGPED-WMZHIEFXSA-N 1 0 456.652 4.161 20 0 JIADRO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001474154553 1068364666 /nfs/dbraw/zinc/36/46/66/1068364666.db2.gz HSMJAQAFINQLRV-ZOECDYFQSA-N 1 0 456.652 4.455 20 0 JIADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2)c1C(F)(F)F ZINC001353615109 1068375864 /nfs/dbraw/zinc/37/58/64/1068375864.db2.gz UOTWLVSILXKOIX-UHFFFAOYSA-N 1 0 452.477 4.127 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300366068 1068400807 /nfs/dbraw/zinc/40/08/07/1068400807.db2.gz FLAIDWQTYHPFMU-JOCHJYFZSA-N 1 0 465.646 4.048 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001300370066 1068419308 /nfs/dbraw/zinc/41/93/08/1068419308.db2.gz STTLONZSZCEPAI-NZQKXSOJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCOC(C)(C)C)c1 ZINC001300370231 1068420026 /nfs/dbraw/zinc/42/00/26/1068420026.db2.gz WMBSOBWQAFOCOR-OYRHEFFESA-N 1 0 485.673 4.094 20 0 JIADRO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1=O ZINC001353679295 1068433319 /nfs/dbraw/zinc/43/33/19/1068433319.db2.gz UPIDRELZANZFIM-FQEVSTJZSA-N 1 0 455.986 4.004 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001300374105 1068438066 /nfs/dbraw/zinc/43/80/66/1068438066.db2.gz CXQIBXWIOCXLMM-NRFANRHFSA-N 1 0 498.672 4.322 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001300374287 1068439771 /nfs/dbraw/zinc/43/97/71/1068439771.db2.gz GMDYQPCOVVONQM-UPVQGACJSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001300382839 1068472888 /nfs/dbraw/zinc/47/28/88/1068472888.db2.gz YZJQKCPKLKOEFH-NRFANRHFSA-N 1 0 481.563 4.376 20 0 JIADRO COc1ccc(CN(Cc2ccc(OC)cc2OC)C(=S)NCC[NH+]2CCCCC2)c(OC)c1 ZINC001200422407 1068480526 /nfs/dbraw/zinc/48/05/26/1068480526.db2.gz XTPFOZRGXNMLBO-UHFFFAOYSA-N 1 0 487.666 4.084 20 0 JIADRO Cn1cnc2c1cc(C1CCN(C(=S)NCC[NH+]3CCCCC3)CC1)nc2-c1ccccc1 ZINC001200423989 1068489363 /nfs/dbraw/zinc/48/93/63/1068489363.db2.gz UPZWTIWCJZNHBS-UHFFFAOYSA-N 1 0 462.667 4.175 20 0 JIADRO FC(F)(F)c1ccc(I)c(NC(=S)NCC[NH+]2CCCCC2)c1 ZINC001200430646 1068516032 /nfs/dbraw/zinc/51/60/32/1068516032.db2.gz CISIHATUYGIOPL-UHFFFAOYSA-N 1 0 457.303 4.082 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300393734 1068519807 /nfs/dbraw/zinc/51/98/07/1068519807.db2.gz CNZQDKWBAIZILY-IFMALSPDSA-N 1 0 497.644 4.014 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)c(C)c2)CC1 ZINC001353753857 1068552010 /nfs/dbraw/zinc/55/20/10/1068552010.db2.gz RPYGQDRMSOZJEY-UHFFFAOYSA-N 1 0 450.562 4.232 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+](C)C3CCCCC3)CCO2)c1 ZINC001300407136 1068577893 /nfs/dbraw/zinc/57/78/93/1068577893.db2.gz NKDLRNIEKKHGPE-XMMPIXPASA-N 1 0 455.647 4.328 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC001353790371 1068587775 /nfs/dbraw/zinc/58/77/75/1068587775.db2.gz ULELERMNLJTDRR-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CCO2)c1 ZINC001300410885 1068590437 /nfs/dbraw/zinc/59/04/37/1068590437.db2.gz VPZYYHZZVXNTFV-RBBKRZOGSA-N 1 0 453.587 4.058 20 0 JIADRO COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001353829082 1068635348 /nfs/dbraw/zinc/63/53/48/1068635348.db2.gz NBMCCXTWVBINME-QHCPKHFHSA-N 1 0 453.583 4.366 20 0 JIADRO CCCN(CC[NH+](C)C)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC001353878229 1068706237 /nfs/dbraw/zinc/70/62/37/1068706237.db2.gz YPMHLTPKZGADRO-UHFFFAOYSA-N 1 0 451.567 4.341 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001300438998 1068708027 /nfs/dbraw/zinc/70/80/27/1068708027.db2.gz HQAGVWBFBJKYHK-UHFFFAOYSA-N 1 0 483.636 4.256 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001300439254 1068708487 /nfs/dbraw/zinc/70/84/87/1068708487.db2.gz KYIYNWOZPOJRMV-OAQYLSRUSA-N 1 0 472.653 4.170 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001300439241 1068708682 /nfs/dbraw/zinc/70/86/82/1068708682.db2.gz KQUZANVUAHALCJ-UHFFFAOYSA-N 1 0 458.626 4.140 20 0 JIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC001200486534 1068718624 /nfs/dbraw/zinc/71/86/24/1068718624.db2.gz LFFHHKDALCLWDM-UHFFFAOYSA-N 1 0 451.592 4.434 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001300442173 1068720521 /nfs/dbraw/zinc/72/05/21/1068720521.db2.gz BNKFJGBHDFLIFE-QFIPXVFZSA-N 1 0 468.690 4.324 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)c1 ZINC001353886278 1068722627 /nfs/dbraw/zinc/72/26/27/1068722627.db2.gz XHCVBKRARSJBQN-UHFFFAOYSA-N 1 0 450.505 4.088 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001300448350 1068745608 /nfs/dbraw/zinc/74/56/08/1068745608.db2.gz AURHDZPSKDYPIR-UHFFFAOYSA-N 1 0 485.673 4.418 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(CC(C)C)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001300459574 1068790009 /nfs/dbraw/zinc/79/00/09/1068790009.db2.gz QVXYYJBWVRPWQT-OAQYLSRUSA-N 1 0 454.644 4.415 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492565751 1068799075 /nfs/dbraw/zinc/79/90/75/1068799075.db2.gz IOBBSAFMBJOTET-ISKFKSNPSA-N 1 0 466.674 4.115 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300462984 1068800878 /nfs/dbraw/zinc/80/08/78/1068800878.db2.gz BFAXSFPCRZIYSO-JTHBVZDNSA-N 1 0 468.690 4.242 20 0 JIADRO CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001353961521 1068802805 /nfs/dbraw/zinc/80/28/05/1068802805.db2.gz RDGPDYARNJAHMQ-LEWJYISDSA-N 1 0 454.442 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300467123 1068806910 /nfs/dbraw/zinc/80/69/10/1068806910.db2.gz XDHBSWSRQLZUJN-HXUWFJFHSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300470168 1068811064 /nfs/dbraw/zinc/81/10/64/1068811064.db2.gz JPDVQKILPZKXOC-BGYRXZFFSA-N 1 0 452.603 4.336 20 0 JIADRO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001200525214 1068820778 /nfs/dbraw/zinc/82/07/78/1068820778.db2.gz VGIYQOUJMMKWBB-MRXNPFEDSA-N 1 0 450.461 4.079 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300478482 1068829940 /nfs/dbraw/zinc/82/99/40/1068829940.db2.gz JBHSDTATEYCFJZ-GOHWNWGWSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001300480305 1068832950 /nfs/dbraw/zinc/83/29/50/1068832950.db2.gz XWGCFXRGFGVSHY-AVRDEDQJSA-N 1 0 455.628 4.322 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001492567495 1068834893 /nfs/dbraw/zinc/83/48/93/1068834893.db2.gz HHZGYCQOZXFWTE-HXUWFJFHSA-N 1 0 470.662 4.335 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300481955 1068837023 /nfs/dbraw/zinc/83/70/23/1068837023.db2.gz STMGNXCKHHVVTJ-ACRUOGEOSA-N 1 0 455.647 4.324 20 0 JIADRO COc1cc(NC(=S)N2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(OC)cc1Cl ZINC001200534561 1068843512 /nfs/dbraw/zinc/84/35/12/1068843512.db2.gz FFBOHHNUWDCMFV-SFHVURJKSA-N 1 0 491.057 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300486051 1068845980 /nfs/dbraw/zinc/84/59/80/1068845980.db2.gz OWKGQCFSVLINJO-QHCPKHFHSA-N 1 0 496.700 4.016 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300494651 1068862765 /nfs/dbraw/zinc/86/27/65/1068862765.db2.gz SHMOOPDVJOLJAF-WOJBJXKFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1(OC)CCC(C)CC1 ZINC001300506038 1068878131 /nfs/dbraw/zinc/87/81/31/1068878131.db2.gz NZDHPCJXBGLBNL-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001300506929 1068880381 /nfs/dbraw/zinc/88/03/81/1068880381.db2.gz GCYZMKHZBIMIBR-FQEVSTJZSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300518903 1068905229 /nfs/dbraw/zinc/90/52/29/1068905229.db2.gz SZSZWELGOCQFEU-HBMCJLEFSA-N 1 0 455.647 4.325 20 0 JIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC001354116815 1068907281 /nfs/dbraw/zinc/90/72/81/1068907281.db2.gz IZJVEKNQIGBVQH-IIBYNOLFSA-N 1 0 458.400 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300520143 1068909962 /nfs/dbraw/zinc/90/99/62/1068909962.db2.gz XXOWKFIGGAZIPV-HKUYNNGSSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001354133501 1068919896 /nfs/dbraw/zinc/91/98/96/1068919896.db2.gz FCGPMUWWWHKZPC-GMAHTHKFSA-N 1 0 451.567 4.261 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+](C)C ZINC001300525746 1068926960 /nfs/dbraw/zinc/92/69/60/1068926960.db2.gz UOYVFWUCYDWDRT-HZPDHXFCSA-N 1 0 475.435 4.062 20 0 JIADRO Cc1ccccc1COc1cccc(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001354141708 1068928977 /nfs/dbraw/zinc/92/89/77/1068928977.db2.gz RECSYPDRJABJJY-DEOSSOPVSA-N 1 0 457.618 4.443 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300536486 1068956450 /nfs/dbraw/zinc/95/64/50/1068956450.db2.gz PHRWSDOEZPVCHT-MOPGFXCFSA-N 1 0 468.671 4.399 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001492568981 1068964085 /nfs/dbraw/zinc/96/40/85/1068964085.db2.gz HYQIYUYIYCXHNV-UHFFFAOYSA-N 1 0 482.570 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300539428 1068965878 /nfs/dbraw/zinc/96/58/78/1068965878.db2.gz FQSXFECWTZSVOQ-IBGZPJMESA-N 1 0 468.671 4.481 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)on2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300539705 1068967678 /nfs/dbraw/zinc/96/76/78/1068967678.db2.gz LEHPZFZXIKOCSH-BGYRXZFFSA-N 1 0 466.630 4.178 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300540334 1068970086 /nfs/dbraw/zinc/97/00/86/1068970086.db2.gz UOOGKKBEASJQOI-CLOONOSVSA-N 1 0 452.603 4.012 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492569466 1068972996 /nfs/dbraw/zinc/97/29/96/1068972996.db2.gz YFZYULGAENYQAH-UPVQGACJSA-N 1 0 466.674 4.067 20 0 JIADRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)cn1 ZINC001474625556 1068975637 /nfs/dbraw/zinc/97/56/37/1068975637.db2.gz NGVBJYPRDFLNGL-PBHICJAKSA-N 1 0 456.306 4.307 20 0 JIADRO Cc1ccc(I)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001354210793 1068981174 /nfs/dbraw/zinc/98/11/74/1068981174.db2.gz UPVLRMIFENUZCX-RDTXWAMCSA-N 1 0 454.377 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300546034 1068983743 /nfs/dbraw/zinc/98/37/43/1068983743.db2.gz BKHSDCOUNDCOJF-QFIPXVFZSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300557693 1069018822 /nfs/dbraw/zinc/01/88/22/1069018822.db2.gz OWPSDQZYDZCKMA-VWNXMTODSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccc([C@H]2[C@H](C(=O)N(C)C3CC[NH+](C)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849388071 1069028624 /nfs/dbraw/zinc/02/86/24/1069028624.db2.gz ZKFGDAIWYKCVRC-KCWPFWIISA-N 1 0 479.621 4.049 20 0 JIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001354263671 1069034328 /nfs/dbraw/zinc/03/43/28/1069034328.db2.gz ZTHPEDGQXJQYSV-UHFFFAOYSA-N 1 0 459.512 4.290 20 0 JIADRO O=C(Nc1ccccc1)c1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1Cl ZINC001200612441 1069035920 /nfs/dbraw/zinc/03/59/20/1069035920.db2.gz AOHREDVBEYHVAL-UHFFFAOYSA-N 1 0 456.974 4.168 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492589384 1069037800 /nfs/dbraw/zinc/03/78/00/1069037800.db2.gz RNLPCPRIXVWBKZ-DNQXCXABSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001492573056 1069051108 /nfs/dbraw/zinc/05/11/08/1069051108.db2.gz NRYKCDHONISRJZ-QNWVGRARSA-N 1 0 466.674 4.087 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849486191 1069052005 /nfs/dbraw/zinc/05/20/05/1069052005.db2.gz JSSAYCFGKSNMIN-KAYWLYCHSA-N 1 0 482.632 4.403 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300566394 1069057193 /nfs/dbraw/zinc/05/71/93/1069057193.db2.gz ACECXGLNTDDKNF-KCZVDYSFSA-N 1 0 487.714 4.097 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1F ZINC000849490519 1069058549 /nfs/dbraw/zinc/05/85/49/1069058549.db2.gz OCEAWTSVOQJBGE-MSOLQXFVSA-N 1 0 457.575 4.144 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)C[C@H](C)O1 ZINC000504136320 1069058653 /nfs/dbraw/zinc/05/86/53/1069058653.db2.gz NXUFUXPBNHHYSU-CALCHBBNSA-N 1 0 469.586 4.199 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491770 1069060384 /nfs/dbraw/zinc/06/03/84/1069060384.db2.gz UDRRWBIDMSQAAO-FGZHOGPDSA-N 1 0 454.521 4.286 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c1 ZINC000849493067 1069061804 /nfs/dbraw/zinc/06/18/04/1069061804.db2.gz ZROWSDHUBVINIS-UYAOXDASSA-N 1 0 469.611 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)[C@H](c2cnn(C)c2)C1 ZINC000849492602 1069062766 /nfs/dbraw/zinc/06/27/66/1069062766.db2.gz SFFFXANDUANYRT-SSPYTLHUSA-N 1 0 492.664 4.420 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493852 1069063807 /nfs/dbraw/zinc/06/38/07/1069063807.db2.gz MODFMJKODUNMOL-PMACEKPBSA-N 1 0 481.622 4.173 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492573699 1069065194 /nfs/dbraw/zinc/06/51/94/1069065194.db2.gz AOOACWZWKAPFKA-ZRZAMGCNSA-N 1 0 494.728 4.143 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849494739 1069066984 /nfs/dbraw/zinc/06/69/84/1069066984.db2.gz YLHSMDPIAXGKIM-RBUKOAKNSA-N 1 0 459.566 4.198 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498868 1069070435 /nfs/dbraw/zinc/07/04/35/1069070435.db2.gz BJJMYYZKHCJINN-HJOGWXRNSA-N 1 0 498.096 4.086 20 0 JIADRO Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498532 1069070446 /nfs/dbraw/zinc/07/04/46/1069070446.db2.gz AULXXNYQLCAHKN-ZEQRLZLVSA-N 1 0 456.594 4.496 20 0 JIADRO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849498582 1069070534 /nfs/dbraw/zinc/07/05/34/1069070534.db2.gz SDPLWJSSJGCWSE-VWNXMTODSA-N 1 0 459.594 4.433 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849499631 1069071414 /nfs/dbraw/zinc/07/14/14/1069071414.db2.gz NEFQQCPJRKMSRM-VXKWHMMOSA-N 1 0 463.582 4.377 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849500419 1069072129 /nfs/dbraw/zinc/07/21/29/1069072129.db2.gz PNOJXMLCZYNHSW-GKBBYZSKSA-N 1 0 473.621 4.364 20 0 JIADRO CC(C)c1ccc(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500786 1069072220 /nfs/dbraw/zinc/07/22/20/1069072220.db2.gz JDEVOQZBFOPFQG-FTJBHMTQSA-N 1 0 452.643 4.427 20 0 JIADRO CC(C)c1ccc(OC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500787 1069072957 /nfs/dbraw/zinc/07/29/57/1069072957.db2.gz JDEVOQZBFOPFQG-IZZNHLLZSA-N 1 0 452.643 4.427 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849501499 1069073965 /nfs/dbraw/zinc/07/39/65/1069073965.db2.gz MVLDUYFSJVQFMD-RTWAWAEBSA-N 1 0 470.017 4.435 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502432 1069074690 /nfs/dbraw/zinc/07/46/90/1069074690.db2.gz CAYFEEXJBPAEQY-RTBURBONSA-N 1 0 488.455 4.212 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503158 1069076688 /nfs/dbraw/zinc/07/66/88/1069076688.db2.gz GYPQZFVSEAJYPU-SFTDATJTSA-N 1 0 455.603 4.368 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cn1 ZINC000849503457 1069079723 /nfs/dbraw/zinc/07/97/23/1069079723.db2.gz YAAKRTSLGZJCCM-DLBZAZTESA-N 1 0 481.519 4.460 20 0 JIADRO Cc1cc(Cc2cnc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507021 1069087888 /nfs/dbraw/zinc/08/78/88/1069087888.db2.gz YTOFTEAKYLOFPA-MOPGFXCFSA-N 1 0 488.455 4.212 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cn1 ZINC000849507361 1069088021 /nfs/dbraw/zinc/08/80/21/1069088021.db2.gz ZBSBMJVSZGQNEF-YESZJQIVSA-N 1 0 453.439 4.380 20 0 JIADRO Cc1cc(Cc2cnc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507024 1069088047 /nfs/dbraw/zinc/08/80/47/1069088047.db2.gz YTOFTEAKYLOFPA-RTBURBONSA-N 1 0 488.455 4.212 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1F ZINC000849508268 1069088983 /nfs/dbraw/zinc/08/89/83/1069088983.db2.gz HWBJWOQGUOZZGK-PMACEKPBSA-N 1 0 452.530 4.343 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849508274 1069088999 /nfs/dbraw/zinc/08/89/99/1069088999.db2.gz HWBJWOQGUOZZGK-WOJBJXKFSA-N 1 0 452.530 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849506755 1069089007 /nfs/dbraw/zinc/08/90/07/1069089007.db2.gz NNYYICCNPVPXNL-YADHBBJMSA-N 1 0 473.459 4.235 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300573636 1069089431 /nfs/dbraw/zinc/08/94/31/1069089431.db2.gz JOUPYTAZBKIBCK-DENIHFKCSA-N 1 0 495.590 4.013 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300573611 1069089549 /nfs/dbraw/zinc/08/95/49/1069089549.db2.gz IXOYZFPTAJPKDE-URXFXBBRSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507578 1069089889 /nfs/dbraw/zinc/08/98/89/1069089889.db2.gz QETHVLXZJYVIHC-VOQZNFBZSA-N 1 0 461.448 4.134 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508657 1069090672 /nfs/dbraw/zinc/09/06/72/1069090672.db2.gz AKVBLCZTOHQWEC-ZEQRLZLVSA-N 1 0 492.023 4.227 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509627 1069092206 /nfs/dbraw/zinc/09/22/06/1069092206.db2.gz MCUPZYNDFOIPJP-FCHUYYIVSA-N 1 0 474.584 4.479 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001300574377 1069093798 /nfs/dbraw/zinc/09/37/98/1069093798.db2.gz WOOIJAZNKKJOBR-ZEQRLZLVSA-N 1 0 480.701 4.229 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510564 1069095222 /nfs/dbraw/zinc/09/52/22/1069095222.db2.gz RWTQRHJGLPUERD-SFTDATJTSA-N 1 0 459.432 4.192 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514569 1069099631 /nfs/dbraw/zinc/09/96/31/1069099631.db2.gz IEFYNEZUUFHYRO-LEWJYISDSA-N 1 0 485.430 4.129 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514896 1069099760 /nfs/dbraw/zinc/09/97/60/1069099760.db2.gz JPFFKGMSTGSDLK-NHCUHLMSSA-N 1 0 461.448 4.091 20 0 JIADRO Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C[C@H]4c4cnn(C)c4)cc3s2)s1 ZINC000849516427 1069100933 /nfs/dbraw/zinc/10/09/33/1069100933.db2.gz PNLQJILTUBTNBS-MSOLQXFVSA-N 1 0 494.646 4.326 20 0 JIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849515732 1069102554 /nfs/dbraw/zinc/10/25/54/1069102554.db2.gz MRGYAFFPUIGBPJ-SFTDATJTSA-N 1 0 450.612 4.122 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517056 1069103382 /nfs/dbraw/zinc/10/33/82/1069103382.db2.gz MPXZRLFQNMFTIW-ZNZIZOMTSA-N 1 0 490.648 4.351 20 0 JIADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516671 1069104120 /nfs/dbraw/zinc/10/41/20/1069104120.db2.gz LTRNWKUKTISSNM-NJTBCWBZSA-N 1 0 460.622 4.090 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516633 1069104261 /nfs/dbraw/zinc/10/42/61/1069104261.db2.gz LDYQWBLUMMTAQC-CLJLJLNGSA-N 1 0 457.622 4.435 20 0 JIADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516669 1069104392 /nfs/dbraw/zinc/10/43/92/1069104392.db2.gz LTRNWKUKTISSNM-GCCWUPBUSA-N 1 0 460.622 4.090 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300577653 1069104814 /nfs/dbraw/zinc/10/48/14/1069104814.db2.gz AYUQXJAUCNMKPZ-IXFSTUDKSA-N 1 0 479.641 4.042 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849522375 1069114093 /nfs/dbraw/zinc/11/40/93/1069114093.db2.gz KUIPOBDMMFKVFQ-REUBFRLUSA-N 1 0 472.633 4.465 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849525382 1069117401 /nfs/dbraw/zinc/11/74/01/1069117401.db2.gz PMXGCGZCROFZTD-RPWUZVMVSA-N 1 0 452.599 4.358 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849525380 1069117450 /nfs/dbraw/zinc/11/74/50/1069117450.db2.gz PMXGCGZCROFZTD-BJKOFHAPSA-N 1 0 452.599 4.358 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526290 1069121060 /nfs/dbraw/zinc/12/10/60/1069121060.db2.gz RLEBDDKKLDCVQC-BJKOFHAPSA-N 1 0 478.568 4.335 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526069 1069123044 /nfs/dbraw/zinc/12/30/44/1069123044.db2.gz UEUHWZXAOZYVHM-FPOVZHCZSA-N 1 0 490.583 4.218 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849535543 1069155730 /nfs/dbraw/zinc/15/57/30/1069155730.db2.gz UNHSIRJJSMVWIB-FCHUYYIVSA-N 1 0 475.622 4.182 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539354 1069162546 /nfs/dbraw/zinc/16/25/46/1069162546.db2.gz SOVGUGJBHYNMQR-CQOQZXRMSA-N 1 0 452.002 4.142 20 0 JIADRO COc1ccccc1CCn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001300593017 1069162723 /nfs/dbraw/zinc/16/27/23/1069162723.db2.gz LVQDJKPQKYHPCP-XUZZJYLKSA-N 1 0 479.673 4.080 20 0 JIADRO COc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001300594230 1069166209 /nfs/dbraw/zinc/16/62/09/1069166209.db2.gz XCMWKZOSLWKZAC-UHFFFAOYSA-N 1 0 483.701 4.447 20 0 JIADRO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001300599295 1069183478 /nfs/dbraw/zinc/18/34/78/1069183478.db2.gz HCGOHKFROHJSIO-QHCPKHFHSA-N 1 0 467.658 4.323 20 0 JIADRO CCCCOCCN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548252 1069185745 /nfs/dbraw/zinc/18/57/45/1069185745.db2.gz LNLTWOKEZDEANM-VXKWHMMOSA-N 1 0 477.447 4.068 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547944 1069185955 /nfs/dbraw/zinc/18/59/55/1069185955.db2.gz LIXCXESAYYMQBS-RPWUZVMVSA-N 1 0 482.669 4.270 20 0 JIADRO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549009 1069187093 /nfs/dbraw/zinc/18/70/93/1069187093.db2.gz QAHINWMLFKSXJB-TZYHBYERSA-N 1 0 475.475 4.382 20 0 JIADRO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849548052 1069187139 /nfs/dbraw/zinc/18/71/39/1069187139.db2.gz KHVMGYVFBPGTSX-PZJWPPBQSA-N 1 0 485.032 4.376 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cc2Oc2ccccc2)cn1 ZINC000849550513 1069191641 /nfs/dbraw/zinc/19/16/41/1069191641.db2.gz XZNFTYUETWWTPT-YADHBBJMSA-N 1 0 483.410 4.327 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552281 1069193365 /nfs/dbraw/zinc/19/33/65/1069193365.db2.gz NGUQXMJWLDINNG-SFTDATJTSA-N 1 0 483.410 4.436 20 0 JIADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC001200657587 1069193877 /nfs/dbraw/zinc/19/38/77/1069193877.db2.gz PPGRTXOCFPCKON-DHIUTWEWSA-N 1 0 450.627 4.426 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553316 1069194692 /nfs/dbraw/zinc/19/46/92/1069194692.db2.gz IXTOKRSRBVYBTM-BFLUCZKCSA-N 1 0 495.465 4.492 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553321 1069195173 /nfs/dbraw/zinc/19/51/73/1069195173.db2.gz IXTOKRSRBVYBTM-GNKBHMEESA-N 1 0 495.465 4.492 20 0 JIADRO COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849554154 1069197261 /nfs/dbraw/zinc/19/72/61/1069197261.db2.gz UYLBDLJIHAVNQH-FGZHOGPDSA-N 1 0 454.546 4.208 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556170 1069200562 /nfs/dbraw/zinc/20/05/62/1069200562.db2.gz AORVFKLJTCSSHQ-VQTJNVASSA-N 1 0 493.409 4.400 20 0 JIADRO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849556105 1069202296 /nfs/dbraw/zinc/20/22/96/1069202296.db2.gz VMBZHNCQPZTUCP-NHCUHLMSSA-N 1 0 472.593 4.220 20 0 JIADRO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849556103 1069202762 /nfs/dbraw/zinc/20/27/62/1069202762.db2.gz VMBZHNCQPZTUCP-LEWJYISDSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849557178 1069203776 /nfs/dbraw/zinc/20/37/76/1069203776.db2.gz GBHGIIFWKDPFKR-IRXDYDNUSA-N 1 0 473.832 4.389 20 0 JIADRO Cc1nc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558666 1069206723 /nfs/dbraw/zinc/20/67/23/1069206723.db2.gz OUGWIJSIZRGRFT-RTWAWAEBSA-N 1 0 455.990 4.167 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562069 1069210979 /nfs/dbraw/zinc/21/09/79/1069210979.db2.gz JCUVFWZOKBNRLE-ROUUACIJSA-N 1 0 474.428 4.289 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849566882 1069218679 /nfs/dbraw/zinc/21/86/79/1069218679.db2.gz CJFHORLBMIHAPD-MOPGFXCFSA-N 1 0 465.461 4.249 20 0 JIADRO CCOc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567555 1069219109 /nfs/dbraw/zinc/21/91/09/1069219109.db2.gz HYDNGBSPMVSLRC-GVAUOCQISA-N 1 0 467.013 4.413 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569632 1069221346 /nfs/dbraw/zinc/22/13/46/1069221346.db2.gz VDOGHCUPGCTJCI-KBPBESRZSA-N 1 0 465.303 4.342 20 0 JIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C3)cs1 ZINC000849571296 1069221977 /nfs/dbraw/zinc/22/19/77/1069221977.db2.gz IEEXVXUWZGKDRK-WOJBJXKFSA-N 1 0 469.680 4.312 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@H](c2cnn(C)c2)C1 ZINC000849571871 1069223878 /nfs/dbraw/zinc/22/38/78/1069223878.db2.gz LUJBFJRCHRKXFF-MSOLQXFVSA-N 1 0 461.397 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849571875 1069223951 /nfs/dbraw/zinc/22/39/51/1069223951.db2.gz LUJBFJRCHRKXFF-ZWKOTPCHSA-N 1 0 461.397 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849574288 1069225024 /nfs/dbraw/zinc/22/50/24/1069225024.db2.gz XGNLITXCBOALIU-NHCUHLMSSA-N 1 0 459.432 4.366 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849574939 1069227694 /nfs/dbraw/zinc/22/76/94/1069227694.db2.gz YLULSZGIJSOPAE-KSZLIROESA-N 1 0 465.461 4.422 20 0 JIADRO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1cc(F)cc(Br)c1 ZINC000849576974 1069229206 /nfs/dbraw/zinc/22/92/06/1069229206.db2.gz LKMFFSDJZNHTCW-HKBOAZHASA-N 1 0 465.411 4.403 20 0 JIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849577732 1069229878 /nfs/dbraw/zinc/22/98/78/1069229878.db2.gz SKIVLSVHIIKOHB-RRPNLBNLSA-N 1 0 460.622 4.473 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300615738 1069229886 /nfs/dbraw/zinc/22/98/86/1069229886.db2.gz XIKOHMFHHFJLNH-DNQXCXABSA-N 1 0 482.717 4.175 20 0 JIADRO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579299 1069230701 /nfs/dbraw/zinc/23/07/01/1069230701.db2.gz OUYSIINTPGANFQ-VXKWHMMOSA-N 1 0 465.985 4.308 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001300616298 1069230842 /nfs/dbraw/zinc/23/08/42/1069230842.db2.gz UGVGBBQOIYGMEY-WXVAWEFUSA-N 1 0 468.690 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849581147 1069232469 /nfs/dbraw/zinc/23/24/69/1069232469.db2.gz FLQPKBGHQQLOHE-LEWJYISDSA-N 1 0 450.549 4.347 20 0 JIADRO CCCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580931 1069232564 /nfs/dbraw/zinc/23/25/64/1069232564.db2.gz CZMKKGYOYQBHNL-FCHUYYIVSA-N 1 0 452.578 4.150 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cn1 ZINC000849586214 1069235751 /nfs/dbraw/zinc/23/57/51/1069235751.db2.gz OJADRBQFDFAVGL-NHCUHLMSSA-N 1 0 462.985 4.146 20 0 JIADRO CC(C)C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586217 1069236056 /nfs/dbraw/zinc/23/60/56/1069236056.db2.gz OJDWOHFVRQKSCR-FUDKSRODSA-N 1 0 461.448 4.296 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849586587 1069237718 /nfs/dbraw/zinc/23/77/18/1069237718.db2.gz QFDRGPHXBDPAHF-FRYIKTPZSA-N 1 0 477.422 4.198 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1 ZINC000849590216 1069241284 /nfs/dbraw/zinc/24/12/84/1069241284.db2.gz XUNFKLLXKXBOLR-UXHICEINSA-N 1 0 495.546 4.138 20 0 JIADRO COCCC[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849591424 1069241882 /nfs/dbraw/zinc/24/18/82/1069241882.db2.gz IRBIPMMZIIHQGW-FGCOXFRFSA-N 1 0 461.050 4.214 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849590991 1069242763 /nfs/dbraw/zinc/24/27/63/1069242763.db2.gz BGOATUOARPKYQE-CABCVRRESA-N 1 0 462.417 4.245 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849592163 1069243436 /nfs/dbraw/zinc/24/34/36/1069243436.db2.gz JLMKFFJJHQVHQL-PBIIQAGSSA-N 1 0 491.602 4.379 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849592166 1069243769 /nfs/dbraw/zinc/24/37/69/1069243769.db2.gz JLMKFFJJHQVHQL-WJHCDBIXSA-N 1 0 491.602 4.379 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849591682 1069244694 /nfs/dbraw/zinc/24/46/94/1069244694.db2.gz KIVLMEDDUYEXGL-YADHBBJMSA-N 1 0 499.631 4.305 20 0 JIADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595116 1069248011 /nfs/dbraw/zinc/24/80/11/1069248011.db2.gz ZEEIQCOCWFBODJ-QZTJIDSGSA-N 1 0 462.438 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849594694 1069248088 /nfs/dbraw/zinc/24/80/88/1069248088.db2.gz HIELFEIJNUUNKX-WOJBJXKFSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596198 1069248806 /nfs/dbraw/zinc/24/88/06/1069248806.db2.gz LQHPQSWSMNRWPM-JCGIZDLHSA-N 1 0 451.384 4.013 20 0 JIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849597515 1069251631 /nfs/dbraw/zinc/25/16/31/1069251631.db2.gz TXXFKBOKYYERER-PVHODMMVSA-N 1 0 460.622 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849597357 1069251795 /nfs/dbraw/zinc/25/17/95/1069251795.db2.gz SNSHPJCRCBUWHC-RTBURBONSA-N 1 0 478.494 4.216 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849600324 1069255968 /nfs/dbraw/zinc/25/59/68/1069255968.db2.gz PXZQRYNBWZDAPY-COPCDDAFSA-N 1 0 459.432 4.013 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001300625274 1069256117 /nfs/dbraw/zinc/25/61/17/1069256117.db2.gz WWQTWUAFMVGKPX-WOJBJXKFSA-N 1 0 459.034 4.333 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849601443 1069257017 /nfs/dbraw/zinc/25/70/17/1069257017.db2.gz VQOGRQINIDPFHF-GOTSBHOMSA-N 1 0 461.025 4.461 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@H](C)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001300625900 1069257888 /nfs/dbraw/zinc/25/78/88/1069257888.db2.gz FKVWRZNYKQROFR-LJQANCHMSA-N 1 0 485.654 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849605922 1069262632 /nfs/dbraw/zinc/26/26/32/1069262632.db2.gz KMBLWAIIQTZIES-JKSUJKDBSA-N 1 0 486.785 4.131 20 0 JIADRO COc1ccc(Br)c2sc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849607284 1069263664 /nfs/dbraw/zinc/26/36/64/1069263664.db2.gz HUOZTUMXAWTJAU-HUUCEWRRSA-N 1 0 492.443 4.254 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849606657 1069263724 /nfs/dbraw/zinc/26/37/24/1069263724.db2.gz QMUDJXQSNWISAY-WJPUGNRLSA-N 1 0 465.495 4.274 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607986 1069265776 /nfs/dbraw/zinc/26/57/76/1069265776.db2.gz MOVZJLRTQLESSM-LEWJYISDSA-N 1 0 459.432 4.194 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849610369 1069266851 /nfs/dbraw/zinc/26/68/51/1069266851.db2.gz JINGMFCSHNQDPM-HJOGWXRNSA-N 1 0 481.641 4.385 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849610948 1069270609 /nfs/dbraw/zinc/27/06/09/1069270609.db2.gz QSBZVPCTHUWJAH-ZRBLBEILSA-N 1 0 459.034 4.266 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612255 1069271881 /nfs/dbraw/zinc/27/18/81/1069271881.db2.gz JIMQJJMOFXVMSD-AEFFLSMTSA-N 1 0 472.387 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@H](c2cnn(C)c2)C1 ZINC000849612140 1069273002 /nfs/dbraw/zinc/27/30/02/1069273002.db2.gz FLVMSZSNPNCRMQ-WBVHZDCISA-N 1 0 478.544 4.410 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(C)on2)n1CC1([NH+](C)C)CCCCC1 ZINC001300631760 1069280529 /nfs/dbraw/zinc/28/05/29/1069280529.db2.gz RVBIMMXMZYQEAZ-UHFFFAOYSA-N 1 0 468.602 4.063 20 0 JIADRO [NH3+]C1CC2(C1)CCN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)CC2 ZINC001164386644 718801983 /nfs/dbraw/zinc/80/19/83/718801983.db2.gz BSHGJVAYIGSLDZ-JOCHJYFZSA-N 1 0 450.389 4.125 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2c1C ZINC001164389358 718815460 /nfs/dbraw/zinc/81/54/60/718815460.db2.gz VKPOYJYBTKSLMB-FQEVSTJZSA-N 1 0 453.578 4.415 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164619386 719020037 /nfs/dbraw/zinc/02/00/37/719020037.db2.gz VWPVMYBPYSVLJF-DQYPLSBCSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001164615977 719020064 /nfs/dbraw/zinc/02/00/64/719020064.db2.gz KGKSLQIRJUTLAH-BVGQSLNGSA-N 1 0 456.320 4.330 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Oc4ccc(SC)cc4)ncn3)CC2)CC1 ZINC001164617477 719030048 /nfs/dbraw/zinc/03/00/48/719030048.db2.gz MGUDBDQCJLLROJ-UHFFFAOYSA-N 1 0 456.612 4.235 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC2)CC1 ZINC001164616554 719031480 /nfs/dbraw/zinc/03/14/80/719031480.db2.gz FKRZOIDRLPDTBE-UHFFFAOYSA-N 1 0 462.953 4.305 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164618629 719031844 /nfs/dbraw/zinc/03/18/44/719031844.db2.gz WLEVNIBEYVHRNV-UHFFFAOYSA-N 1 0 485.698 4.148 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164628739 719044596 /nfs/dbraw/zinc/04/45/96/719044596.db2.gz ZQISSKAJSCZABQ-WNCULLNHSA-N 1 0 460.025 4.272 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1C ZINC001164626803 719098393 /nfs/dbraw/zinc/09/83/93/719098393.db2.gz IWKFZSZQWFHTSM-GOTSBHOMSA-N 1 0 477.678 4.241 20 0 JIADRO CC(C)N(C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679453 719639541 /nfs/dbraw/zinc/63/95/41/719639541.db2.gz AYTINXRCCNLKMH-UHFFFAOYSA-N 1 0 473.650 4.304 20 0 JIADRO Cc1nc2cc(F)ccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680698 719662185 /nfs/dbraw/zinc/66/21/85/719662185.db2.gz HWHSSBFGEVXIDA-HXUWFJFHSA-N 1 0 475.612 4.171 20 0 JIADRO Cc1cccc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681699 719662812 /nfs/dbraw/zinc/66/28/12/719662812.db2.gz QBSIEEKPYWFJBC-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO Cc1cccc2ncc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164680088 719665799 /nfs/dbraw/zinc/66/57/99/719665799.db2.gz BTUSEKABSMNOQA-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO CSc1nc2c(c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)CCCC2 ZINC001164680694 719666871 /nfs/dbraw/zinc/66/68/71/719666871.db2.gz GZHQEUGLVQHVJP-FQEVSTJZSA-N 1 0 493.721 4.171 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164680332 719669881 /nfs/dbraw/zinc/66/98/81/719669881.db2.gz CTNZDISJRVSRRA-OAQYLSRUSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4ccc(Cl)nc4cn3)CC2)c2ccccc21 ZINC001164684555 719670299 /nfs/dbraw/zinc/67/02/99/719670299.db2.gz URLDFWGBWJHTEL-FQEVSTJZSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 ZINC001164685879 719677316 /nfs/dbraw/zinc/67/73/16/719677316.db2.gz WEDNTWBIFGAWIW-QHCPKHFHSA-N 1 0 469.633 4.237 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001164690651 719761185 /nfs/dbraw/zinc/76/11/85/719761185.db2.gz GOJKHWXQURHTKP-CJAUYULYSA-N 1 0 484.645 4.343 20 0 JIADRO O=C(c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1)N1CCCCC1 ZINC001164707893 719898245 /nfs/dbraw/zinc/89/82/45/719898245.db2.gz YJZRNANBYBNIAY-UHFFFAOYSA-N 1 0 475.058 4.294 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814149 720090176 /nfs/dbraw/zinc/09/01/76/720090176.db2.gz VOXVZECXMDRLFQ-YCRPNKLZSA-N 1 0 454.924 4.152 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711124 720096957 /nfs/dbraw/zinc/09/69/57/720096957.db2.gz OPUFSRFQXFZFCC-HXUWFJFHSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164714922 720116477 /nfs/dbraw/zinc/11/64/77/720116477.db2.gz FIXHZNXEHFRYTP-SFHVURJKSA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164715517 720118920 /nfs/dbraw/zinc/11/89/20/720118920.db2.gz GWVLFROSIZSPMZ-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164712613 720130540 /nfs/dbraw/zinc/13/05/40/720130540.db2.gz NVJZODPKUABWKQ-HSZRJFAPSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164712161 720145619 /nfs/dbraw/zinc/14/56/19/720145619.db2.gz KPEKVOVEXURHOW-QFIPXVFZSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164712073 720151341 /nfs/dbraw/zinc/15/13/41/720151341.db2.gz KKGGVHFLYFMROK-QHCPKHFHSA-N 1 0 489.620 4.488 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817789 720168428 /nfs/dbraw/zinc/16/84/28/720168428.db2.gz QFWUGDDCAYONRY-LYZGTLIUSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819806 720170427 /nfs/dbraw/zinc/17/04/27/720170427.db2.gz YITLWXSMDITWAH-DCFHFQCYSA-N 1 0 475.662 4.427 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)s1 ZINC001164718259 720198794 /nfs/dbraw/zinc/19/87/94/720198794.db2.gz ZCJUPSQVUDIVBK-QFIPXVFZSA-N 1 0 489.649 4.011 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814197 720199292 /nfs/dbraw/zinc/19/92/92/720199292.db2.gz UDYIKVYIGAZNAN-UUOWRZLLSA-N 1 0 458.990 4.116 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CCC2 ZINC001164814020 720225994 /nfs/dbraw/zinc/22/59/94/720225994.db2.gz QZQOGSZKBYCIBB-UHFFFAOYSA-N 1 0 497.377 4.289 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001164829419 720333137 /nfs/dbraw/zinc/33/31/37/720333137.db2.gz LUAFCWSTXKPRCY-BJKOFHAPSA-N 1 0 469.029 4.226 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164824198 720337187 /nfs/dbraw/zinc/33/71/87/720337187.db2.gz HMTCCZAHLIWLBR-VXKWHMMOSA-N 1 0 479.625 4.409 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164831175 720339332 /nfs/dbraw/zinc/33/93/32/720339332.db2.gz XXVFVDQUZCUZHM-LOSJGSFVSA-N 1 0 473.596 4.347 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164831171 720339591 /nfs/dbraw/zinc/33/95/91/720339591.db2.gz XXVFVDQUZCUZHM-DQEYMECFSA-N 1 0 473.596 4.347 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)CC1 ZINC001164827460 720346512 /nfs/dbraw/zinc/34/65/12/720346512.db2.gz LPXLWNBFDVNHJT-SFTDATJTSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001164828333 720348846 /nfs/dbraw/zinc/34/88/46/720348846.db2.gz OGSFWVDPUKGQJB-SXOMAYOGSA-N 1 0 488.680 4.045 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164829159 720352399 /nfs/dbraw/zinc/35/23/99/720352399.db2.gz QSEUJVZJFHNNNK-LEWJYISDSA-N 1 0 470.017 4.142 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164821515 720353457 /nfs/dbraw/zinc/35/34/57/720353457.db2.gz ANJGNZPNHHIHHT-VQTJNVASSA-N 1 0 490.435 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164823569 720356285 /nfs/dbraw/zinc/35/62/85/720356285.db2.gz HBRNWBVBMGPHQS-FGZHOGPDSA-N 1 0 481.031 4.460 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)C1 ZINC001164734571 720523459 /nfs/dbraw/zinc/52/34/59/720523459.db2.gz QSMDMAFHNGADFS-KRWDZBQOSA-N 1 0 459.623 4.027 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001164734193 720524683 /nfs/dbraw/zinc/52/46/83/720524683.db2.gz NQFRUOGLINRNHJ-NRFANRHFSA-N 1 0 463.589 4.482 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836780 720541096 /nfs/dbraw/zinc/54/10/96/720541096.db2.gz KXADTHAVVKNILJ-WERVVEIQSA-N 1 0 450.656 4.390 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164733700 720556841 /nfs/dbraw/zinc/55/68/41/720556841.db2.gz POLFQRLMUYALDX-UHFFFAOYSA-N 1 0 472.568 4.300 20 0 JIADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727272 720558943 /nfs/dbraw/zinc/55/89/43/720558943.db2.gz CPAQHPMHJSHCNT-UHFFFAOYSA-N 1 0 467.351 4.337 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833552 720565671 /nfs/dbraw/zinc/56/56/71/720565671.db2.gz AAIBZZJPGQZRDX-FUHIMQAGSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]21 ZINC001164833553 720566241 /nfs/dbraw/zinc/56/62/41/720566241.db2.gz AAIBZZJPGQZRDX-UWVAXJGDSA-N 1 0 460.960 4.402 20 0 JIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCCC4)CC2 ZINC001164736893 720581278 /nfs/dbraw/zinc/58/12/78/720581278.db2.gz VHWZWGRQORYXPS-UHFFFAOYSA-N 1 0 485.661 4.487 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c23)cc1 ZINC001164736159 720582158 /nfs/dbraw/zinc/58/21/58/720582158.db2.gz FLHCWBPZZUXPNN-UHFFFAOYSA-N 1 0 460.607 4.222 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]21 ZINC001164840123 720594907 /nfs/dbraw/zinc/59/49/07/720594907.db2.gz PBWFKMBENJKDTD-SLSDLSHTSA-N 1 0 459.642 4.194 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164842720 720599857 /nfs/dbraw/zinc/59/98/57/720599857.db2.gz VFYNZXLDRZPIHN-XUVXKRRUSA-N 1 0 482.654 4.059 20 0 JIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)o2)cc1 ZINC001164835605 720608777 /nfs/dbraw/zinc/60/87/77/720608777.db2.gz BSPJMYBXSOEYPO-FDFHNCONSA-N 1 0 457.582 4.168 20 0 JIADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737582 720661522 /nfs/dbraw/zinc/66/15/22/720661522.db2.gz GKOKGYKFBPASPI-PMACEKPBSA-N 1 0 476.943 4.221 20 0 JIADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843317 720665280 /nfs/dbraw/zinc/66/52/80/720665280.db2.gz WECVFCHUABUPDH-NRFANRHFSA-N 1 0 460.578 4.066 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164841727 720667548 /nfs/dbraw/zinc/66/75/48/720667548.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 1 0 483.660 4.295 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164841026 720670411 /nfs/dbraw/zinc/67/04/11/720670411.db2.gz OSCJTSAGPMWZGO-FQEVSTJZSA-N 1 0 453.587 4.084 20 0 JIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841025 720711963 /nfs/dbraw/zinc/71/19/63/720711963.db2.gz UJJBWRQWEFXKNP-RCZVLFRGSA-N 1 0 462.638 4.214 20 0 JIADRO Fc1cnc(N2CCC3(CC2)CN(c2cccc(OCC[NH+]4CCCC4)n2)Cc2ccccc23)nc1 ZINC001164838609 720735339 /nfs/dbraw/zinc/73/53/39/720735339.db2.gz SUBVZRHIEYHIQL-UHFFFAOYSA-N 1 0 488.611 4.044 20 0 JIADRO O=C(c1ccco1)N1CCC2(CC1)CN(c1ccc(C[NH+]3CCCC3)cn1)Cc1ccccc12 ZINC001164844352 720745000 /nfs/dbraw/zinc/74/50/00/720745000.db2.gz QFJBMECQDMFPSL-UHFFFAOYSA-N 1 0 456.590 4.465 20 0 JIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745315 720761995 /nfs/dbraw/zinc/76/19/95/720761995.db2.gz VACMHRAMHGTWIO-SJORKVTESA-N 1 0 464.620 4.169 20 0 JIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748763 720835231 /nfs/dbraw/zinc/83/52/31/720835231.db2.gz UVONLLZUNYFRJN-IRFCIJBXSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748767 720835404 /nfs/dbraw/zinc/83/54/04/720835404.db2.gz UVONLLZUNYFRJN-QKNQBKEWSA-N 1 0 472.971 4.404 20 0 JIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164751089 720846625 /nfs/dbraw/zinc/84/66/25/720846625.db2.gz YLOCVGBLMAEBFX-YSIASYRMSA-N 1 0 483.979 4.032 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741312 720849205 /nfs/dbraw/zinc/84/92/05/720849205.db2.gz DXFVRIXWGAPAMB-XKCSPQBFSA-N 1 0 499.997 4.313 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752504 720852622 /nfs/dbraw/zinc/85/26/22/720852622.db2.gz SSMGAKOOHGZFHB-ZFGGDYGUSA-N 1 0 478.044 4.385 20 0 JIADRO Fc1ccc(F)c2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750388 720859603 /nfs/dbraw/zinc/85/96/03/720859603.db2.gz PQPATYOAYSITCE-FRQCXROJSA-N 1 0 458.944 4.137 20 0 JIADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755911 720869878 /nfs/dbraw/zinc/86/98/78/720869878.db2.gz ZYFYBWQKNPVTFP-HFZDXXHNSA-N 1 0 485.028 4.062 20 0 JIADRO CSc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748584 720870465 /nfs/dbraw/zinc/87/04/65/720870465.db2.gz FYPPRJKXDXYYMI-XXBNENTESA-N 1 0 460.047 4.002 20 0 JIADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747403 720873883 /nfs/dbraw/zinc/87/38/83/720873883.db2.gz BJYKIGOLSMQTPV-RLWLMLJZSA-N 1 0 485.028 4.062 20 0 JIADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747397 720874246 /nfs/dbraw/zinc/87/42/46/720874246.db2.gz BJYKIGOLSMQTPV-LVXARBLLSA-N 1 0 485.028 4.062 20 0 JIADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753010 720876203 /nfs/dbraw/zinc/87/62/03/720876203.db2.gz OLRMWCQKBXWGLH-UFHPHHKVSA-N 1 0 478.637 4.187 20 0 JIADRO Clc1ccnc2c1ccnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747268 720876567 /nfs/dbraw/zinc/87/65/67/720876567.db2.gz AYJCGKZUBTUZKC-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164863104 720876627 /nfs/dbraw/zinc/87/66/27/720876627.db2.gz SNTWTLBHYOWVJE-MSOLQXFVSA-N 1 0 458.653 4.210 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164858321 720876735 /nfs/dbraw/zinc/87/67/35/720876735.db2.gz KRWFAKQBCNTUIF-SJLPKXTDSA-N 1 0 470.664 4.082 20 0 JIADRO c1ccc(Oc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754553 720878067 /nfs/dbraw/zinc/87/80/67/720878067.db2.gz SAWBGYDYHFUANM-CUBQBAPOSA-N 1 0 471.605 4.419 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755054 720882842 /nfs/dbraw/zinc/88/28/42/720882842.db2.gz KLDMUOHGAGNSTL-WXVAWEFUSA-N 1 0 499.055 4.370 20 0 JIADRO Clc1cccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc12 ZINC001164752597 720883408 /nfs/dbraw/zinc/88/34/08/720883408.db2.gz FLFJFEWHZJXHOU-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc12 ZINC001164752598 720883604 /nfs/dbraw/zinc/88/36/04/720883604.db2.gz FLFJFEWHZJXHOU-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@H]2C1 ZINC001164853375 720883865 /nfs/dbraw/zinc/88/38/65/720883865.db2.gz CFOMGELGJWALQT-LAUBAEHRSA-N 1 0 469.935 4.260 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@@H]2C1 ZINC001164853374 720884231 /nfs/dbraw/zinc/88/42/31/720884231.db2.gz CFOMGELGJWALQT-DYESRHJHSA-N 1 0 469.935 4.260 20 0 JIADRO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164751792 720885446 /nfs/dbraw/zinc/88/54/46/720885446.db2.gz DRJASSXYWFZXMB-SVEHJYQDSA-N 1 0 486.616 4.172 20 0 JIADRO Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2cccnc2n1 ZINC001164757124 720886195 /nfs/dbraw/zinc/88/61/95/720886195.db2.gz SQFNRSLDJQOACT-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756264 720889045 /nfs/dbraw/zinc/88/90/45/720889045.db2.gz OYDHPFIWPDKJKJ-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO COc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2n1 ZINC001164754419 720892992 /nfs/dbraw/zinc/89/29/92/720892992.db2.gz IUUZPLUWENDVEO-ZBLYBZFDSA-N 1 0 494.039 4.442 20 0 JIADRO CC(C)(C)Oc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757128 720894383 /nfs/dbraw/zinc/89/43/83/720894383.db2.gz STNGREVHRDVACM-KCWPFWIISA-N 1 0 450.627 4.409 20 0 JIADRO Clc1ccc(CN2CCCC2)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757480 720894561 /nfs/dbraw/zinc/89/45/61/720894561.db2.gz VDASGNZTEFDHRS-LEAFIULHSA-N 1 0 496.099 4.481 20 0 JIADRO c1csc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164758440 720896887 /nfs/dbraw/zinc/89/68/87/720896887.db2.gz YCRFGNTUQQHLLS-BKMJKUGQSA-N 1 0 461.635 4.355 20 0 JIADRO COc1cccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164750538 720898067 /nfs/dbraw/zinc/89/80/67/720898067.db2.gz BIXLHAGTTYWHPF-ABYGYWHVSA-N 1 0 485.632 4.302 20 0 JIADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751760 720899319 /nfs/dbraw/zinc/89/93/19/720899319.db2.gz DLHYRYSGXVHRCF-FIPFOOKPSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1ccnc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754456 720904095 /nfs/dbraw/zinc/90/40/95/720904095.db2.gz IZROZFJAGBCQEB-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO c1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753741 720908397 /nfs/dbraw/zinc/90/83/97/720908397.db2.gz SLTPJTDLIPBNJR-LSYYVWMOSA-N 1 0 455.606 4.294 20 0 JIADRO c1csc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164752680 720916202 /nfs/dbraw/zinc/91/62/02/720916202.db2.gz OJENFLCAOPLFJM-GJZUVCINSA-N 1 0 461.635 4.355 20 0 JIADRO Fc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750533 720920404 /nfs/dbraw/zinc/92/04/04/720920404.db2.gz JTGZRJKRFKJNOK-YWEHKCAJSA-N 1 0 473.596 4.433 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)nc2c1 ZINC001164748420 720921087 /nfs/dbraw/zinc/92/10/87/720921087.db2.gz GACOEYGHJLUDBZ-QDPGVEIFSA-N 1 0 473.621 4.097 20 0 JIADRO CCc1nc2sccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753122 720927930 /nfs/dbraw/zinc/92/79/30/720927930.db2.gz QFJVUXBOGTVYDV-QFQXNSOFSA-N 1 0 463.651 4.404 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752148 720928957 /nfs/dbraw/zinc/92/89/57/720928957.db2.gz NHEUPNGHRKMJEV-LSYYVWMOSA-N 1 0 462.638 4.301 20 0 JIADRO Fc1ccc(-c2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164752119 720933295 /nfs/dbraw/zinc/93/32/95/720933295.db2.gz NDZJATBIKUCBPD-UFHPHHKVSA-N 1 0 473.596 4.433 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@@H]2C ZINC001164859860 720935522 /nfs/dbraw/zinc/93/55/22/720935522.db2.gz NYNNHHSMFPHYOJ-LJQANCHMSA-N 1 0 480.060 4.306 20 0 JIADRO Clc1nc2c(nc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164751399 720936334 /nfs/dbraw/zinc/93/63/34/720936334.db2.gz MDNBBBLYRIGOHM-HFZDXXHNSA-N 1 0 468.045 4.159 20 0 JIADRO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)n2)CC1 ZINC001164760499 721045507 /nfs/dbraw/zinc/04/55/07/721045507.db2.gz VFELBKFAGVVPMB-UHFFFAOYSA-N 1 0 477.653 4.057 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)CC3)CC2)cc1 ZINC001164759887 721046694 /nfs/dbraw/zinc/04/66/94/721046694.db2.gz RLHOZEGAMJBKQX-UHFFFAOYSA-N 1 0 482.694 4.447 20 0 JIADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866104 721063325 /nfs/dbraw/zinc/06/33/25/721063325.db2.gz CTYMLQHEPIJAEX-SJORKVTESA-N 1 0 480.346 4.356 20 0 JIADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866380 721097663 /nfs/dbraw/zinc/09/76/63/721097663.db2.gz SXOOXWHLEBGQRX-HZPDHXFCSA-N 1 0 480.346 4.356 20 0 JIADRO c1ccc(Cc2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc23)cc1 ZINC001164871621 721136871 /nfs/dbraw/zinc/13/68/71/721136871.db2.gz FYHVGZYPQOOGBK-RPWUZVMVSA-N 1 0 451.574 4.095 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164876471 721139675 /nfs/dbraw/zinc/13/96/75/721139675.db2.gz MRRZKYINERFEED-IRLDBZIGSA-N 1 0 473.602 4.242 20 0 JIADRO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164879004 721145596 /nfs/dbraw/zinc/14/55/96/721145596.db2.gz RFWMQVWUNCXJHK-SFTDATJTSA-N 1 0 484.629 4.117 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879114 721165802 /nfs/dbraw/zinc/16/58/02/721165802.db2.gz RVPVMMQIVMNYPR-LEWJYISDSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880731 721170958 /nfs/dbraw/zinc/17/09/58/721170958.db2.gz XJEHEBHANDRTMX-NHCUHLMSSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880732 721171350 /nfs/dbraw/zinc/17/13/50/721171350.db2.gz XJEHEBHANDRTMX-RTWAWAEBSA-N 1 0 471.939 4.217 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164774353 721195113 /nfs/dbraw/zinc/19/51/13/721195113.db2.gz YNIARAWDQCOXER-RTWAWAEBSA-N 1 0 485.661 4.324 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@H]3C2)cn1 ZINC001164772848 721206184 /nfs/dbraw/zinc/20/61/84/721206184.db2.gz VMYLHVRPPZTHLX-RBUKOAKNSA-N 1 0 458.944 4.034 20 0 JIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761963 721225995 /nfs/dbraw/zinc/22/59/95/721225995.db2.gz BFLPUECPZNWFBC-FGZHOGPDSA-N 1 0 487.677 4.112 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@H]3C2)cn1 ZINC001164762715 721227382 /nfs/dbraw/zinc/22/73/82/721227382.db2.gz DLMQCOGAENPIKM-RBUKOAKNSA-N 1 0 458.944 4.034 20 0 JIADRO CC(C)(C)C(=O)Oc1cc2ncnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2cc1OC(=O)C(C)(C)C ZINC001164769624 721296719 /nfs/dbraw/zinc/29/67/19/721296719.db2.gz KDSORAPDHNNXDW-UHFFFAOYSA-N 1 0 494.636 4.455 20 0 JIADRO CCN1CC[C@]2(CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]2C)C1=O ZINC001164779002 721320148 /nfs/dbraw/zinc/32/01/48/721320148.db2.gz SVKRNTHLRKEBOL-NFQMXDRXSA-N 1 0 495.067 4.451 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164877564 721330691 /nfs/dbraw/zinc/33/06/91/721330691.db2.gz WCZFHCKAGCCPBE-VXKWHMMOSA-N 1 0 459.598 4.334 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)C2)C1 ZINC001164787091 721372219 /nfs/dbraw/zinc/37/22/19/721372219.db2.gz YWZPWKCFKOIUCV-RUZDIDTESA-N 1 0 483.016 4.224 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897605 721436502 /nfs/dbraw/zinc/43/65/02/721436502.db2.gz UIUYLUHWAKRTLL-GBXCKJPGSA-N 1 0 492.014 4.107 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)s1 ZINC001164894424 721439560 /nfs/dbraw/zinc/43/95/60/721439560.db2.gz MNLUUEBDMIFVMA-IDISGSTGSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898797 721442208 /nfs/dbraw/zinc/44/22/08/721442208.db2.gz XHFAUPOCWRZORY-OFNKIYASSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892289 721443519 /nfs/dbraw/zinc/44/35/19/721443519.db2.gz HYNAURHJSACEHK-ZJSXRUAMSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885405 721448285 /nfs/dbraw/zinc/44/82/85/721448285.db2.gz DPJLJNHLKOLPQN-HOYKHHGWSA-N 1 0 492.451 4.341 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164785939 721448528 /nfs/dbraw/zinc/44/85/28/721448528.db2.gz JCYWMXAWUPVKPX-IBGZPJMESA-N 1 0 475.033 4.026 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885501 721453477 /nfs/dbraw/zinc/45/34/77/721453477.db2.gz FAJDLFSAZZVLOR-DVECYGJZSA-N 1 0 483.047 4.314 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164786872 721459190 /nfs/dbraw/zinc/45/91/90/721459190.db2.gz QCRDZBKRBOSSFX-HXUWFJFHSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164788698 721460403 /nfs/dbraw/zinc/46/04/03/721460403.db2.gz VQOQEFMPVVHMSD-IBGZPJMESA-N 1 0 475.033 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)cc3)nn1)CC2 ZINC001164788802 721466918 /nfs/dbraw/zinc/46/69/18/721466918.db2.gz LEBONKVWMNQKMY-XMMPIXPASA-N 1 0 450.627 4.186 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164788766 721468722 /nfs/dbraw/zinc/46/87/22/721468722.db2.gz JWPNHLSNMYHTOJ-LJQANCHMSA-N 1 0 460.569 4.301 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164791707 721473503 /nfs/dbraw/zinc/47/35/03/721473503.db2.gz XUYDXTIXMHTBRK-KRWDZBQOSA-N 1 0 457.446 4.080 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164788301 721473964 /nfs/dbraw/zinc/47/39/64/721473964.db2.gz IWCVODPJUWHXHC-SFHVURJKSA-N 1 0 462.997 4.156 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164902390 721495543 /nfs/dbraw/zinc/49/55/43/721495543.db2.gz YRGIETPUMWLGEP-OLKYXYMISA-N 1 0 492.697 4.241 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791554 721496421 /nfs/dbraw/zinc/49/64/21/721496421.db2.gz DOIWRYGIIYEMQM-UHFFFAOYSA-N 1 0 464.944 4.343 20 0 JIADRO O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)N1Cc1ccncc1 ZINC001164900282 721507059 /nfs/dbraw/zinc/50/70/59/721507059.db2.gz PPMMXTFOZRMJDP-UHFFFAOYSA-N 1 0 487.982 4.213 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccc(F)cc4)nc4cc(Cl)ccc42)CC3)CC1 ZINC001164797335 721514931 /nfs/dbraw/zinc/51/49/31/721514931.db2.gz KKIUMSZKCVGDAM-UHFFFAOYSA-N 1 0 492.002 4.053 20 0 JIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@@H+]3C2)c1 ZINC001164905926 721552097 /nfs/dbraw/zinc/55/20/97/721552097.db2.gz IBHWMZNMIPQUJF-MJGOQNOKSA-N 1 0 475.902 4.218 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@@H+]3C2)c1 ZINC001164905325 721557623 /nfs/dbraw/zinc/55/76/23/721557623.db2.gz GTDHGWIHZGVOAG-FUHWJXTLSA-N 1 0 475.902 4.218 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164801469 721570537 /nfs/dbraw/zinc/57/05/37/721570537.db2.gz GSHFQGRBLZGKIP-ZRRKCSAHSA-N 1 0 486.616 4.447 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164805417 721576859 /nfs/dbraw/zinc/57/68/59/721576859.db2.gz NTGOIHNLBRYSSY-DRMXPCRNSA-N 1 0 469.948 4.325 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@H]2CCCO[C@H]12 ZINC001164810796 721589310 /nfs/dbraw/zinc/58/93/10/721589310.db2.gz WEWFUKKYASYGAN-IARZGTGTSA-N 1 0 481.600 4.472 20 0 JIADRO FC(F)(COc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906695 721701095 /nfs/dbraw/zinc/70/10/95/721701095.db2.gz OSTYNINCUSMOSA-IBGZPJMESA-N 1 0 458.887 4.335 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904965 721704231 /nfs/dbraw/zinc/70/42/31/721704231.db2.gz FXMABMUSXATUGD-OAQYLSRUSA-N 1 0 497.999 4.161 20 0 JIADRO CCOC(=O)c1cc2c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]c(C)c(C)c-2n1 ZINC001164907286 721712638 /nfs/dbraw/zinc/71/26/38/721712638.db2.gz QLEZGUJVSBCEHJ-RUZDIDTESA-N 1 0 483.563 4.489 20 0 JIADRO COc1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164910808 721724301 /nfs/dbraw/zinc/72/43/01/721724301.db2.gz HUYLETIKQRXOAW-XMMPIXPASA-N 1 0 451.521 4.285 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]21 ZINC001165026894 721805008 /nfs/dbraw/zinc/80/50/08/721805008.db2.gz SCJXRCDHBQKTPT-WTIAFYNJSA-N 1 0 468.045 4.493 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165017897 721807741 /nfs/dbraw/zinc/80/77/41/721807741.db2.gz BBWFOAIMCGNOEE-RYGJVYDSSA-N 1 0 464.944 4.198 20 0 JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1 ZINC001165028968 721827040 /nfs/dbraw/zinc/82/70/40/721827040.db2.gz WAXQCBYBAUVJCV-DNVKUUNQSA-N 1 0 459.594 4.293 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3cc(OC)c(OC)cc3cn2)CC1 ZINC001165020484 721843757 /nfs/dbraw/zinc/84/37/57/721843757.db2.gz FBSFFKULRPQETC-UHFFFAOYSA-N 1 0 451.567 4.370 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[C@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164932638 721879621 /nfs/dbraw/zinc/87/96/21/721879621.db2.gz JVKLHPMQTOYRLY-BAGYTPMASA-N 1 0 482.742 4.017 20 0 JIADRO Cc1cc(CN(C)c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)n(C)n1 ZINC001165051394 721989975 /nfs/dbraw/zinc/98/99/75/721989975.db2.gz PTFWLWBMCVLLSA-UHFFFAOYSA-N 1 0 465.985 4.075 20 0 JIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963270 722060845 /nfs/dbraw/zinc/06/08/45/722060845.db2.gz UZJYBRJYIDCFRV-RUZDIDTESA-N 1 0 498.002 4.439 20 0 JIADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966526 722061721 /nfs/dbraw/zinc/06/17/21/722061721.db2.gz VRGLDNYKXHLVIC-UHFFFAOYSA-N 1 0 473.351 4.327 20 0 JIADRO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164966414 722061840 /nfs/dbraw/zinc/06/18/40/722061840.db2.gz SNUKHODGIAVLHN-UHFFFAOYSA-N 1 0 496.011 4.445 20 0 JIADRO Clc1cccc(COc2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164965639 722062165 /nfs/dbraw/zinc/06/21/65/722062165.db2.gz LHHIITAWULLEKF-UHFFFAOYSA-N 1 0 480.012 4.223 20 0 JIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164981407 722097319 /nfs/dbraw/zinc/09/73/19/722097319.db2.gz OBMINHSMGYCPCN-CERRFVOPSA-N 1 0 467.617 4.186 20 0 JIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164981409 722097324 /nfs/dbraw/zinc/09/73/24/722097324.db2.gz OBMINHSMGYCPCN-INNMJMHTSA-N 1 0 467.617 4.186 20 0 JIADRO c1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983397 722107484 /nfs/dbraw/zinc/10/74/84/722107484.db2.gz PUKLUBOHVXUTFG-JTHBVZDNSA-N 1 0 457.603 4.481 20 0 JIADRO 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CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCCCC2)CCO1 ZINC001359525364 1069814781 /nfs/dbraw/zinc/81/47/81/1069814781.db2.gz ZVNVIPCPVRCWHO-JOCHJYFZSA-N 1 0 459.610 4.124 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001359527580 1069817383 /nfs/dbraw/zinc/81/73/83/1069817383.db2.gz QLVFAOYBLHHVLL-UHFFFAOYSA-N 1 0 472.722 4.408 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492595050 1069817961 /nfs/dbraw/zinc/81/79/61/1069817961.db2.gz MUHRLGJTBVRLMC-UHFFFAOYSA-N 1 0 470.662 4.289 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCCOc1ccc(F)cc1 ZINC001359537937 1069833399 /nfs/dbraw/zinc/83/33/99/1069833399.db2.gz WPFLBZGCPGFIRA-JOCHJYFZSA-N 1 0 487.664 4.414 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359537375 1069832066 /nfs/dbraw/zinc/83/20/66/1069832066.db2.gz VTRGMFNULQODMI-UHFFFAOYSA-N 1 0 471.669 4.382 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCCSC1 ZINC001359540629 1069838143 /nfs/dbraw/zinc/83/81/43/1069838143.db2.gz BVZIIFNPCDUDKP-GOSISDBHSA-N 1 0 477.641 4.101 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359540252 1069837435 /nfs/dbraw/zinc/83/74/35/1069837435.db2.gz NVFADTODVLQZID-UHFFFAOYSA-N 1 0 453.679 4.119 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CC[N@H+]1CC=CCC1 ZINC001359541498 1069838884 /nfs/dbraw/zinc/83/88/84/1069838884.db2.gz AQZPCCRBYYYVTR-NRFANRHFSA-N 1 0 462.013 4.499 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccccc2Cl)CC1 ZINC001359547139 1069852129 /nfs/dbraw/zinc/85/21/29/1069852129.db2.gz COXBSUUDGOTTPS-LJQANCHMSA-N 1 0 462.038 4.073 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC(F)(F)F)CC1 ZINC001359547308 1069852429 /nfs/dbraw/zinc/85/24/29/1069852429.db2.gz KTTDZXOBUTZJPY-UHFFFAOYSA-N 1 0 487.542 4.481 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001359546755 1069851200 /nfs/dbraw/zinc/85/12/00/1069851200.db2.gz OYRNCGVMQOVRKV-IBGZPJMESA-N 1 0 481.563 4.287 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCSCc2ccccc2F)CC1 ZINC001359547812 1069853780 /nfs/dbraw/zinc/85/37/80/1069853780.db2.gz CMUXDZICDAGEKA-UHFFFAOYSA-N 1 0 469.634 4.118 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001359547990 1069854464 /nfs/dbraw/zinc/85/44/64/1069854464.db2.gz KNYMJQFUSFQYAF-UHFFFAOYSA-N 1 0 465.568 4.382 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(Br)cc2)CC1 ZINC001359548243 1069854818 /nfs/dbraw/zinc/85/48/18/1069854818.db2.gz SSJDXIMFHGOODW-LJQANCHMSA-N 1 0 476.463 4.098 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CSCCS2)CC1 ZINC001359548933 1069857114 /nfs/dbraw/zinc/85/71/14/1069857114.db2.gz WKBAIBDWIZAXFT-LJQANCHMSA-N 1 0 463.692 4.167 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCc2nccs2)CC1 ZINC001359548813 1069856603 /nfs/dbraw/zinc/85/66/03/1069856603.db2.gz RMFLVKRAGVLFHA-UHFFFAOYSA-N 1 0 458.607 4.006 20 0 JIADRO CC(C)(C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359552634 1069862276 /nfs/dbraw/zinc/86/22/76/1069862276.db2.gz WSBJSTSSFANNPT-UHFFFAOYSA-N 1 0 466.674 4.028 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCC(F)(F)F ZINC001359559262 1069880461 /nfs/dbraw/zinc/88/04/61/1069880461.db2.gz KFMIKNXEVTXDMW-SFHVURJKSA-N 1 0 486.583 4.225 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC=CCC2)n1CCCCC[NH+]1CCCCC1 ZINC001359560777 1069883992 /nfs/dbraw/zinc/88/39/92/1069883992.db2.gz HPBLYIVYZQUDJY-JOCHJYFZSA-N 1 0 488.677 4.009 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCCC1 ZINC001359561333 1069885083 /nfs/dbraw/zinc/88/50/83/1069885083.db2.gz SNHYYDFLUBAVLB-OAQYLSRUSA-N 1 0 488.677 4.007 20 0 JIADRO CC(C)(C)OC(=O)Nc1ccccc1Cn1c(C2CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359562345 1069887460 /nfs/dbraw/zinc/88/74/60/1069887460.db2.gz XJXXJCUYTUTUJC-UHFFFAOYSA-N 1 0 454.619 4.471 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCC2)C1 ZINC001359565755 1069897539 /nfs/dbraw/zinc/89/75/39/1069897539.db2.gz ALJVPMREZJHHQE-LJQANCHMSA-N 1 0 489.064 4.435 20 0 JIADRO CC(C)(C)OC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCCCCC2)CC1 ZINC001359567836 1069918919 /nfs/dbraw/zinc/91/89/19/1069918919.db2.gz XSGIPBCWNDEHME-UHFFFAOYSA-N 1 0 462.683 4.193 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359574612 1069960080 /nfs/dbraw/zinc/96/00/80/1069960080.db2.gz DDIKXPDMTGMCQH-UHFFFAOYSA-N 1 0 495.672 4.116 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359589413 1070025798 /nfs/dbraw/zinc/02/57/98/1070025798.db2.gz KTCUGLARBZIWJJ-JBRBIWQXSA-N 1 0 479.735 4.159 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001359591774 1070032109 /nfs/dbraw/zinc/03/21/09/1070032109.db2.gz IJHZJFNKJZFNJH-VAMGGRTRSA-N 1 0 487.611 4.435 20 0 JIADRO CC(C)=CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359607566 1070070109 /nfs/dbraw/zinc/07/01/09/1070070109.db2.gz UPICHWOJXCUJMU-UHFFFAOYSA-N 1 0 471.671 4.160 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(CC3CCCC3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001359615871 1070084579 /nfs/dbraw/zinc/08/45/79/1070084579.db2.gz BSKJEWQVUGNJLP-UHFFFAOYSA-N 1 0 480.701 4.228 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359616124 1070085278 /nfs/dbraw/zinc/08/52/78/1070085278.db2.gz LTQJBHHSXHVBRD-UHFFFAOYSA-N 1 0 480.701 4.023 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001359620583 1070094753 /nfs/dbraw/zinc/09/47/53/1070094753.db2.gz USBLYHHZPMYXFD-IBGZPJMESA-N 1 0 491.467 4.255 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001359623492 1070102755 /nfs/dbraw/zinc/10/27/55/1070102755.db2.gz XNZGFTFCELOIAX-NHCUHLMSSA-N 1 0 470.662 4.038 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359626115 1070117593 /nfs/dbraw/zinc/11/75/93/1070117593.db2.gz DJECIOKERMTVSR-KNQAVFIVSA-N 1 0 472.653 4.006 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001359626607 1070121021 /nfs/dbraw/zinc/12/10/21/1070121021.db2.gz QFIQIWFEUJQSEA-NHCUHLMSSA-N 1 0 486.730 4.463 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCC2)C1 ZINC001359627608 1070128038 /nfs/dbraw/zinc/12/80/38/1070128038.db2.gz MMDQPNGBQMLSDM-IBGZPJMESA-N 1 0 491.055 4.212 20 0 JIADRO CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359632674 1070153294 /nfs/dbraw/zinc/15/32/94/1070153294.db2.gz MUYSZVYSGATMAO-JOCHJYFZSA-N 1 0 468.690 4.130 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001492596105 1070175576 /nfs/dbraw/zinc/17/55/76/1070175576.db2.gz MLEPKGXZXGUHSK-GOTSBHOMSA-N 1 0 482.717 4.390 20 0 JIADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359639213 1070173470 /nfs/dbraw/zinc/17/34/70/1070173470.db2.gz VPWKNUNDJSEAQQ-RTWAWAEBSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359643898 1070183104 /nfs/dbraw/zinc/18/31/04/1070183104.db2.gz QOFBRNWNBHKHEC-NRFANRHFSA-N 1 0 487.714 4.343 20 0 JIADRO CC(C)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359645943 1070192562 /nfs/dbraw/zinc/19/25/62/1070192562.db2.gz DUMKAFZWBKBVOE-UHFFFAOYSA-N 1 0 453.675 4.437 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359648716 1070207746 /nfs/dbraw/zinc/20/77/46/1070207746.db2.gz ZXECGWTVTTYJFF-IIBYNOLFSA-N 1 0 482.492 4.241 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359656599 1070236561 /nfs/dbraw/zinc/23/65/61/1070236561.db2.gz SBBJCKGMJQKUPJ-SQJMNOBHSA-N 1 0 489.668 4.020 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001359657537 1070246403 /nfs/dbraw/zinc/24/64/03/1070246403.db2.gz JQLUSUVVMXDYJH-OAQYLSRUSA-N 1 0 486.462 4.198 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1)[NH+]1CCCC1 ZINC001359657271 1070243849 /nfs/dbraw/zinc/24/38/49/1070243849.db2.gz FCMCSVUQDIRWII-HXUWFJFHSA-N 1 0 463.468 4.403 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001359658128 1070252785 /nfs/dbraw/zinc/25/27/85/1070252785.db2.gz UXZZJQHPKZKSDL-FQEVSTJZSA-N 1 0 476.463 4.443 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359658320 1070255016 /nfs/dbraw/zinc/25/50/16/1070255016.db2.gz ZQAAROQQOFLCKX-RBBKRZOGSA-N 1 0 474.738 4.364 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F)[NH+]1CCOCC1 ZINC001359658762 1070259564 /nfs/dbraw/zinc/25/95/64/1070259564.db2.gz IMZMWEQHJLCFAS-NRFANRHFSA-N 1 0 472.996 4.126 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359658845 1070260463 /nfs/dbraw/zinc/26/04/63/1070260463.db2.gz JUSLCFCSKDAUND-VXKWHMMOSA-N 1 0 468.646 4.169 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359659796 1070268648 /nfs/dbraw/zinc/26/86/48/1070268648.db2.gz DSZXMAWZBPZAFV-GMAHTHKFSA-N 1 0 497.688 4.296 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCOCC1 ZINC001359660010 1070270039 /nfs/dbraw/zinc/27/00/39/1070270039.db2.gz HZQXSMJDQRXCQT-NRFANRHFSA-N 1 0 487.446 4.029 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001359660658 1070273175 /nfs/dbraw/zinc/27/31/75/1070273175.db2.gz UJXJUKQSEWJVEO-RDGATRHJSA-N 1 0 489.668 4.116 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001359660657 1070272921 /nfs/dbraw/zinc/27/29/21/1070272921.db2.gz UJXJUKQSEWJVEO-RCZVLFRGSA-N 1 0 489.668 4.116 20 0 JIADRO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001359661710 1070278198 /nfs/dbraw/zinc/27/81/98/1070278198.db2.gz MWOQUNPGKSQRAH-PZJWPPBQSA-N 1 0 460.667 4.112 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359662770 1070284687 /nfs/dbraw/zinc/28/46/87/1070284687.db2.gz GBLAALYRRLHSHK-IBGZPJMESA-N 1 0 458.617 4.062 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001359662683 1070284899 /nfs/dbraw/zinc/28/48/99/1070284899.db2.gz DXVDWXQGZMPEBE-XXBNENTESA-N 1 0 461.601 4.273 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359662771 1070285200 /nfs/dbraw/zinc/28/52/00/1070285200.db2.gz GBLAALYRRLHSHK-LJQANCHMSA-N 1 0 458.617 4.062 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359665104 1070294725 /nfs/dbraw/zinc/29/47/25/1070294725.db2.gz SNHCZYXETBJGHB-NRFANRHFSA-N 1 0 495.565 4.476 20 0 JIADRO CC(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001359666212 1070301373 /nfs/dbraw/zinc/30/13/73/1070301373.db2.gz PNZLDQOOWGOIAB-IBGZPJMESA-N 1 0 458.408 4.305 20 0 JIADRO CC(C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001359665730 1070298173 /nfs/dbraw/zinc/29/81/73/1070298173.db2.gz FVKJGTQCQKSXIQ-AKIFATBCSA-N 1 0 497.688 4.201 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001359669612 1070310984 /nfs/dbraw/zinc/31/09/84/1070310984.db2.gz QQOTUMISBFYDEE-LJQANCHMSA-N 1 0 487.718 4.066 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCOc1ncccc1Cl ZINC001359679185 1070334372 /nfs/dbraw/zinc/33/43/72/1070334372.db2.gz ZUPTXWXZBPUONJ-FQEVSTJZSA-N 1 0 455.006 4.240 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359680981 1070337518 /nfs/dbraw/zinc/33/75/18/1070337518.db2.gz LJIPKDUJTDQWOI-UMSFTDKQSA-N 1 0 487.714 4.058 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1Cc1nccn1C(F)F ZINC001359697371 1070357106 /nfs/dbraw/zinc/35/71/06/1070357106.db2.gz QJDFFBPZASBWJK-UHFFFAOYSA-N 1 0 457.573 4.390 20 0 JIADRO CC(C)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359703934 1070369820 /nfs/dbraw/zinc/36/98/20/1070369820.db2.gz VJORKNNWNSPVFU-UHFFFAOYSA-N 1 0 469.033 4.196 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359706508 1070373054 /nfs/dbraw/zinc/37/30/54/1070373054.db2.gz BKDMNFHIZYCKTM-OALUTQOASA-N 1 0 494.610 4.413 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359711587 1070379478 /nfs/dbraw/zinc/37/94/78/1070379478.db2.gz MCCLAWSHAHLTGN-QFIPXVFZSA-N 1 0 484.645 4.258 20 0 JIADRO COc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)C)CC2)c(Cl)c1OC ZINC001315461918 1064277999 /nfs/dbraw/zinc/27/79/99/1064277999.db2.gz HQKZXJPLTCUYGJ-UHFFFAOYSA-N 1 0 487.048 4.117 20 0 JIADRO COc1ccc(CN(C)c2nnc(C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC(F)F ZINC001315470550 1064308213 /nfs/dbraw/zinc/30/82/13/1064308213.db2.gz LMHJMTAVNDSEJI-MWTRTKDXSA-N 1 0 451.562 4.343 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001315470886 1064309205 /nfs/dbraw/zinc/30/92/05/1064309205.db2.gz SRTJTODHIOUQHB-UHFFFAOYSA-N 1 0 491.640 4.001 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001315471029 1064309508 /nfs/dbraw/zinc/30/95/08/1064309508.db2.gz WACJFRPPXHWIOZ-UHFFFAOYSA-N 1 0 461.676 4.057 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001315473345 1064315050 /nfs/dbraw/zinc/31/50/50/1064315050.db2.gz ZYIDKYHOOVHVHH-LJQANCHMSA-N 1 0 465.646 4.143 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001315474206 1064318828 /nfs/dbraw/zinc/31/88/28/1064318828.db2.gz NEYSNBPFSBRSEP-PMACEKPBSA-N 1 0 464.614 4.114 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCC(C)CC2)cc1F ZINC001315474658 1064321317 /nfs/dbraw/zinc/32/13/17/1064321317.db2.gz QGAMRVSYIHVWRU-UHFFFAOYSA-N 1 0 452.578 4.165 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315511110 1064445443 /nfs/dbraw/zinc/44/54/43/1064445443.db2.gz IXBWMNHJBKNWED-UHFFFAOYSA-N 1 0 470.021 4.156 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001315515453 1064462379 /nfs/dbraw/zinc/46/23/79/1064462379.db2.gz MNPYBBNTXPRWJM-OAQYLSRUSA-N 1 0 472.653 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315524041 1064496945 /nfs/dbraw/zinc/49/69/45/1064496945.db2.gz QWWYMTBFMFVPFI-IBGZPJMESA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001315525880 1064501814 /nfs/dbraw/zinc/50/18/14/1064501814.db2.gz TYABBSOQRDCBBP-QFIPXVFZSA-N 1 0 498.716 4.297 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC001315527354 1064504797 /nfs/dbraw/zinc/50/47/97/1064504797.db2.gz SRGWQSHNOHZSAV-UHFFFAOYSA-N 1 0 464.614 4.310 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001315529197 1064510325 /nfs/dbraw/zinc/51/03/25/1064510325.db2.gz IOAJKEPFVBVOHD-DENIHFKCSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](c4ccsc4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315529304 1064510440 /nfs/dbraw/zinc/51/04/40/1064510440.db2.gz UUNNJCOZLSKIGZ-WMZHIEFXSA-N 1 0 499.681 4.481 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001315533260 1064520858 /nfs/dbraw/zinc/52/08/58/1064520858.db2.gz HGYIKDIZCFQKSS-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001315533953 1064522059 /nfs/dbraw/zinc/52/20/59/1064522059.db2.gz ICZLZEVENIVXCI-AMGIVPHBSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001315539297 1064534063 /nfs/dbraw/zinc/53/40/63/1064534063.db2.gz SEABRDTYXYWCES-UHFFFAOYSA-N 1 0 478.641 4.294 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](Cc3noc(C)n3)C2)[NH+](C)C)c1 ZINC001315546936 1064555478 /nfs/dbraw/zinc/55/54/78/1064555478.db2.gz KVCDXOZXZNUMGB-REWPJTCUSA-N 1 0 495.672 4.329 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)[NH+](C)C)c1 ZINC001315547990 1064558549 /nfs/dbraw/zinc/55/85/49/1064558549.db2.gz WHUVZIHNCYAJPR-RPWUZVMVSA-N 1 0 471.646 4.225 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315548990 1064562474 /nfs/dbraw/zinc/56/24/74/1064562474.db2.gz CUPFYMQMSMAJQD-IBGZPJMESA-N 1 0 465.646 4.205 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)C[C@H]3CCCOC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549176 1064563029 /nfs/dbraw/zinc/56/30/29/1064563029.db2.gz PSCKNNFREHNCHI-OFNKIYASSA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)C[C@@H]3CCCOC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549174 1064563397 /nfs/dbraw/zinc/56/33/97/1064563397.db2.gz PSCKNNFREHNCHI-NZQKXSOJSA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001315549301 1064563781 /nfs/dbraw/zinc/56/37/81/1064563781.db2.gz MBCKTONGKVSTBI-QHCPKHFHSA-N 1 0 452.603 4.315 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)CC(C)(C)C)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001315550566 1064567146 /nfs/dbraw/zinc/56/71/46/1064567146.db2.gz WZQYKLFNKKRFKZ-BKMJKUGQSA-N 1 0 473.662 4.113 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315553286 1064570132 /nfs/dbraw/zinc/57/01/32/1064570132.db2.gz YCXMWLWMIARJFB-RTBURBONSA-N 1 0 452.603 4.335 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315554975 1064573416 /nfs/dbraw/zinc/57/34/16/1064573416.db2.gz CLTRXQWPUQPVAR-NZQKXSOJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315555235 1064574033 /nfs/dbraw/zinc/57/40/33/1064574033.db2.gz GDFQPAWFTSYPMT-HFMPRLQTSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315556243 1064575109 /nfs/dbraw/zinc/57/51/09/1064575109.db2.gz NFAXDVDMLHFRFD-BGYRXZFFSA-N 1 0 468.671 4.457 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315558028 1064579635 /nfs/dbraw/zinc/57/96/35/1064579635.db2.gz ZBVHVCLGKZWAKJ-VXKWHMMOSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315557965 1064579687 /nfs/dbraw/zinc/57/96/87/1064579687.db2.gz YEPSUYBXNGHYJT-NHCUHLMSSA-N 1 0 477.657 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001315558428 1064580861 /nfs/dbraw/zinc/58/08/61/1064580861.db2.gz WDYCIUZHWSKTMM-UHFFFAOYSA-N 1 0 496.700 4.351 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001315559131 1064583850 /nfs/dbraw/zinc/58/38/50/1064583850.db2.gz OCYFGSNZCHYIPT-IBGZPJMESA-N 1 0 486.661 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C4CCCCC4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315563955 1064592804 /nfs/dbraw/zinc/59/28/04/1064592804.db2.gz HBLCVSZXNQIILN-UHFFFAOYSA-N 1 0 496.700 4.301 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001315564630 1064594748 /nfs/dbraw/zinc/59/47/48/1064594748.db2.gz WCUPHFDIAIUOHI-LJQANCHMSA-N 1 0 486.661 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315568141 1064602498 /nfs/dbraw/zinc/60/24/98/1064602498.db2.gz XSYPVEKRLSFNLI-ZJSXRUAMSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001315568692 1064604071 /nfs/dbraw/zinc/60/40/71/1064604071.db2.gz ADIIRSUNXUXKPH-HUVFLSCGSA-N 1 0 496.700 4.114 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(-c4cccnc4)n3CC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001315569700 1064609754 /nfs/dbraw/zinc/60/97/54/1064609754.db2.gz JILYYGBFNGMTNH-DEOSSOPVSA-N 1 0 464.614 4.045 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001315570594 1064612237 /nfs/dbraw/zinc/61/22/37/1064612237.db2.gz MRLMWNSXTWPIBB-SFLYRZDNSA-N 1 0 455.647 4.235 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001315570246 1064612315 /nfs/dbraw/zinc/61/23/15/1064612315.db2.gz IJZNXEYUFPEUJJ-WRHDZBKDSA-N 1 0 498.672 4.349 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)c1 ZINC001315572039 1064617934 /nfs/dbraw/zinc/61/79/34/1064617934.db2.gz GXJVPCRUYRNUQH-ZJSXRUAMSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001315573267 1064623617 /nfs/dbraw/zinc/62/36/17/1064623617.db2.gz XQKJXBPXAOFOTG-URXFXBBRSA-N 1 0 482.717 4.489 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315579453 1064642362 /nfs/dbraw/zinc/64/23/62/1064642362.db2.gz XCXYIVKCOMFBTQ-GGAORHGYSA-N 1 0 455.647 4.472 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315579452 1064642482 /nfs/dbraw/zinc/64/24/82/1064642482.db2.gz XCXYIVKCOMFBTQ-FYYLOGMGSA-N 1 0 455.647 4.472 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001315586640 1064666798 /nfs/dbraw/zinc/66/67/98/1064666798.db2.gz BCUHDWGBFYOHDV-VXKWHMMOSA-N 1 0 454.663 4.105 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001315590417 1064677323 /nfs/dbraw/zinc/67/73/23/1064677323.db2.gz DHMLBSRJOYWRPO-MOPGFXCFSA-N 1 0 455.628 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315590455 1064678219 /nfs/dbraw/zinc/67/82/19/1064678219.db2.gz ADAMRDUBCHGKAS-SIBVEZHUSA-N 1 0 465.646 4.143 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315593122 1064686504 /nfs/dbraw/zinc/68/65/04/1064686504.db2.gz BMMULQBLVFPUBL-HXUWFJFHSA-N 1 0 471.646 4.054 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315593458 1064687351 /nfs/dbraw/zinc/68/73/51/1064687351.db2.gz GPHINYJHAMXETB-SFHVURJKSA-N 1 0 472.037 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315593710 1064689007 /nfs/dbraw/zinc/68/90/07/1064689007.db2.gz LAHHOBRIHSTTBD-UHFFFAOYSA-N 1 0 454.644 4.211 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCCSC)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315594626 1064691569 /nfs/dbraw/zinc/69/15/69/1064691569.db2.gz JZRYEGLFAJXTGR-OALUTQOASA-N 1 0 461.676 4.031 20 0 JIADRO 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COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315612447 1064733939 /nfs/dbraw/zinc/73/39/39/1064733939.db2.gz YAUIXBIOEIKSCB-VQTJNVASSA-N 1 0 482.654 4.131 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612496 1064734409 /nfs/dbraw/zinc/73/44/09/1064734409.db2.gz IULMKUUDPCGMBC-NHCUHLMSSA-N 1 0 450.631 4.262 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612894 1064734935 /nfs/dbraw/zinc/73/49/35/1064734935.db2.gz KWMJEIYJAWFKSH-LGVFNWMJSA-N 1 0 455.647 4.499 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315613033 1064735951 /nfs/dbraw/zinc/73/59/51/1064735951.db2.gz MTKGISZIFUBOGH-RDPSFJRHSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315614169 1064738699 /nfs/dbraw/zinc/73/86/99/1064738699.db2.gz ASBZIDBWNJHQHD-JOCHJYFZSA-N 1 0 462.623 4.273 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315616037 1064742068 /nfs/dbraw/zinc/74/20/68/1064742068.db2.gz PXSYAVAAKJEXQL-UHFFFAOYSA-N 1 0 496.656 4.008 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C2CCCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315617178 1064746060 /nfs/dbraw/zinc/74/60/60/1064746060.db2.gz WJVHOTLKTHUBCE-NHCUHLMSSA-N 1 0 455.647 4.146 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001315618784 1064750544 /nfs/dbraw/zinc/75/05/44/1064750544.db2.gz QKKKISZFHKEUBQ-UHFFFAOYSA-N 1 0 454.644 4.235 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001315619441 1064751954 /nfs/dbraw/zinc/75/19/54/1064751954.db2.gz XSNVSSPRTHMDJM-UHFFFAOYSA-N 1 0 499.700 4.164 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315620399 1064754235 /nfs/dbraw/zinc/75/42/35/1064754235.db2.gz LDOWLMUISACNMV-NOMHHCBYSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315620397 1064754299 /nfs/dbraw/zinc/75/42/99/1064754299.db2.gz LDOWLMUISACNMV-BUEREQSYSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001315629528 1064777837 /nfs/dbraw/zinc/77/78/37/1064777837.db2.gz IZRAKCYOBGTNSB-XMMPIXPASA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCC(C)(C)C ZINC001315629811 1064778351 /nfs/dbraw/zinc/77/83/51/1064778351.db2.gz PLZKMZBDGWINMY-OAQYLSRUSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1CC[N@H+](C)C1CCCC1 ZINC001315638426 1064797813 /nfs/dbraw/zinc/79/78/13/1064797813.db2.gz FFNALZGEUQSQJW-UHFFFAOYSA-N 1 0 454.644 4.153 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315647576 1064822287 /nfs/dbraw/zinc/82/22/87/1064822287.db2.gz NIENFDNCGTVAFC-VQTJNVASSA-N 1 0 453.587 4.216 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315652637 1064836343 /nfs/dbraw/zinc/83/63/43/1064836343.db2.gz WSIXVHFIWOTGKC-HXUWFJFHSA-N 1 0 473.662 4.236 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001315654312 1064840984 /nfs/dbraw/zinc/84/09/84/1064840984.db2.gz GKNVFVQRCDICJB-VWLOTQADSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315655635 1064844185 /nfs/dbraw/zinc/84/41/85/1064844185.db2.gz MUSAKAJXIUZZJH-VGOFRKELSA-N 1 0 499.603 4.082 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315656265 1064846818 /nfs/dbraw/zinc/84/68/18/1064846818.db2.gz PMMXLEZVGRHVES-NHCUHLMSSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315658792 1064853069 /nfs/dbraw/zinc/85/30/69/1064853069.db2.gz QLRGVEOBJNODDZ-CTNGQTDRSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@H]2CCSC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315660877 1064859261 /nfs/dbraw/zinc/85/92/61/1064859261.db2.gz OEPXPUYZCLGXAT-UXHICEINSA-N 1 0 491.727 4.022 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(OC)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315662803 1064867328 /nfs/dbraw/zinc/86/73/28/1064867328.db2.gz SVCLLTLYKJWNNI-HXUWFJFHSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001315663104 1064868293 /nfs/dbraw/zinc/86/82/93/1064868293.db2.gz VRDHFIIICYEAPI-IBGZPJMESA-N 1 0 473.687 4.457 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCOC(C)C ZINC001315663929 1064872215 /nfs/dbraw/zinc/87/22/15/1064872215.db2.gz HNFVHVGEUXFUEY-UXHICEINSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001315663836 1064872276 /nfs/dbraw/zinc/87/22/76/1064872276.db2.gz DWQSHVOKTXXLCH-RXFWQSSRSA-N 1 0 487.714 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001315665886 1064880075 /nfs/dbraw/zinc/88/00/75/1064880075.db2.gz KGCSNHMRVGQXBB-PXDATVDWSA-N 1 0 487.714 4.418 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001315665887 1064880232 /nfs/dbraw/zinc/88/02/32/1064880232.db2.gz UCVATABOOFZEDZ-HXUWFJFHSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@](C)(O)C(C)C ZINC001315666733 1064883922 /nfs/dbraw/zinc/88/39/22/1064883922.db2.gz VCJJPZFNTWZEJA-IBVKSMDESA-N 1 0 487.714 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOC(C)(C)C ZINC001315667414 1064886946 /nfs/dbraw/zinc/88/69/46/1064886946.db2.gz ZOAAMBFINGWUEV-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315667819 1064888900 /nfs/dbraw/zinc/88/89/00/1064888900.db2.gz JBPCKGSSCPMYPC-XLIONFOSSA-N 1 0 499.603 4.078 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315669644 1064897537 /nfs/dbraw/zinc/89/75/37/1064897537.db2.gz WHLVWZZHAKSSPO-IBGZPJMESA-N 1 0 461.701 4.397 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315669982 1064898542 /nfs/dbraw/zinc/89/85/42/1064898542.db2.gz ZZRGKGKROFCLNK-LEWJYISDSA-N 1 0 473.687 4.316 20 0 JIADRO COC1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001315675950 1064911410 /nfs/dbraw/zinc/91/14/10/1064911410.db2.gz CXFKGGSRDQMSIC-RVGROTJQSA-N 1 0 488.721 4.102 20 0 JIADRO COC1CCC(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001315676840 1064913836 /nfs/dbraw/zinc/91/38/36/1064913836.db2.gz ARQXBGCIBFLAHY-UHFFFAOYSA-N 1 0 454.663 4.494 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001315691293 1064947948 /nfs/dbraw/zinc/94/79/48/1064947948.db2.gz ILTHJFZRTLKNBN-FAKFISEUSA-N 1 0 492.064 4.186 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001315693147 1064951420 /nfs/dbraw/zinc/95/14/20/1064951420.db2.gz PKFIFODZAHAYGP-RXVVDRJESA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315695838 1064956047 /nfs/dbraw/zinc/95/60/47/1064956047.db2.gz IINSLZCCXLLARE-JENIJYKNSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001315702436 1064966478 /nfs/dbraw/zinc/96/64/78/1064966478.db2.gz LVGKMXAPFRPXCG-HSZRJFAPSA-N 1 0 468.671 4.138 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC2)CC1 ZINC001315703441 1064968800 /nfs/dbraw/zinc/96/88/00/1064968800.db2.gz BXFGKWCYSODRQI-GOSISDBHSA-N 1 0 459.610 4.293 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)CC1 ZINC001315703997 1064969621 /nfs/dbraw/zinc/96/96/21/1064969621.db2.gz DOJOIDAXWVLEQS-KRWDZBQOSA-N 1 0 481.563 4.292 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001315704395 1064971255 /nfs/dbraw/zinc/97/12/55/1064971255.db2.gz HSGZUFCRUYLQDZ-HXUWFJFHSA-N 1 0 480.632 4.490 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC001315704993 1064973535 /nfs/dbraw/zinc/97/35/35/1064973535.db2.gz QGFDUVHTIZGZJV-QHCPKHFHSA-N 1 0 487.664 4.473 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001315705266 1064974301 /nfs/dbraw/zinc/97/43/01/1064974301.db2.gz MWLQTRSNCVPGID-KRWDZBQOSA-N 1 0 481.563 4.292 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315706154 1064976989 /nfs/dbraw/zinc/97/69/89/1064976989.db2.gz UGMIOSFFUQXPNM-HFZDXXHNSA-N 1 0 487.714 4.341 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCC[C@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001315706759 1064978791 /nfs/dbraw/zinc/97/87/91/1064978791.db2.gz XHBXLYSWTHSJOF-CUNXSJBXSA-N 1 0 491.721 4.081 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001315706806 1064979450 /nfs/dbraw/zinc/97/94/50/1064979450.db2.gz YDBJUIRYBKNBJF-UHFFFAOYSA-N 1 0 482.717 4.309 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001315707277 1064980536 /nfs/dbraw/zinc/98/05/36/1064980536.db2.gz XWMGXXFYCINXQX-RXVVDRJESA-N 1 0 495.590 4.299 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315707339 1064981377 /nfs/dbraw/zinc/98/13/77/1064981377.db2.gz ZISSOYJUKWYUQN-DNQXCXABSA-N 1 0 455.647 4.025 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3CCO[C@H](C(C)(C)C)C3)CCCC2)CC1 ZINC001315709824 1064986125 /nfs/dbraw/zinc/98/61/25/1064986125.db2.gz PTKGGOBBDAHNIY-QFIPXVFZSA-N 1 0 461.695 4.152 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N3C[C@H](C)OC(C)(C)C3)CCCC2)CC1 ZINC001315710496 1064986741 /nfs/dbraw/zinc/98/67/41/1064986741.db2.gz VRBYJUPRDPWGCL-FQEVSTJZSA-N 1 0 461.695 4.294 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001315710363 1064986878 /nfs/dbraw/zinc/98/68/78/1064986878.db2.gz VBIOYKVKOYCVHZ-CEMLEFRQSA-N 1 0 491.721 4.090 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001315710806 1064987317 /nfs/dbraw/zinc/98/73/17/1064987317.db2.gz YIGRVUHBHKODFW-DNVJHFABSA-N 1 0 491.721 4.091 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315711268 1064987883 /nfs/dbraw/zinc/98/78/83/1064987883.db2.gz ANHQXMZWKZXOEZ-PLRSXRBSSA-N 1 0 499.700 4.395 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C[NH+](C)C)CC[C@H]1C ZINC001315711417 1064988996 /nfs/dbraw/zinc/98/89/96/1064988996.db2.gz CSXIXCPAZUWPSW-VQIMIIECSA-N 1 0 464.452 4.157 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[C@@H]1C ZINC001315713457 1064999280 /nfs/dbraw/zinc/99/92/80/1064999280.db2.gz GLAGNQBFOSXBQP-ORYQWCPZSA-N 1 0 472.996 4.297 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001315713711 1065000120 /nfs/dbraw/zinc/00/01/20/1065000120.db2.gz CPSMPFSCJTZFSE-NQIIRXRSSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001315734575 1065035241 /nfs/dbraw/zinc/03/52/41/1065035241.db2.gz JFMZBRYXZPQKIM-ZCVJKFOLSA-N 1 0 455.647 4.067 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001315742014 1065050551 /nfs/dbraw/zinc/05/05/51/1065050551.db2.gz LXYIBFSQBYACMQ-CVDCTZTESA-N 1 0 459.610 4.122 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@H]1C ZINC001315743277 1065052851 /nfs/dbraw/zinc/05/28/51/1065052851.db2.gz SPTKDRCNQSKHBL-ZFJSRUIDSA-N 1 0 473.637 4.368 20 0 JIADRO COCC(C)(C)CCCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001315757728 1065062450 /nfs/dbraw/zinc/06/24/50/1065062450.db2.gz BBMLYQRJOYJUNH-NRFANRHFSA-N 1 0 450.631 4.437 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001315771374 1065093107 /nfs/dbraw/zinc/09/31/07/1065093107.db2.gz VUCJZCAUUIMMMW-UHFFFAOYSA-N 1 0 459.610 4.124 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001315783067 1065115620 /nfs/dbraw/zinc/11/56/20/1065115620.db2.gz VPYUWZSQSDIWDB-QGZVFWFLSA-N 1 0 482.456 4.083 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315786922 1065123919 /nfs/dbraw/zinc/12/39/19/1065123919.db2.gz QWSYMULVWGOZQL-FCHUYYIVSA-N 1 0 457.638 4.239 20 0 JIADRO COC[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315791030 1065130985 /nfs/dbraw/zinc/13/09/85/1065130985.db2.gz AGDORRXBQXKSEO-INIZCTEOSA-N 1 0 470.445 4.413 20 0 JIADRO COC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001315802391 1065148571 /nfs/dbraw/zinc/14/85/71/1065148571.db2.gz GYUGSONYJJVSMO-JOCHJYFZSA-N 1 0 487.689 4.261 20 0 JIADRO COC[C@H](F)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315811672 1065158833 /nfs/dbraw/zinc/15/88/33/1065158833.db2.gz DJGCMSLPYKFJOK-IEBWSBKVSA-N 1 0 463.667 4.427 20 0 JIADRO COC[C@H](F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315822777 1065174929 /nfs/dbraw/zinc/17/49/29/1065174929.db2.gz BSLCXIKVKQSMDR-QGZVFWFLSA-N 1 0 474.408 4.069 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315830063 1065191443 /nfs/dbraw/zinc/19/14/43/1065191443.db2.gz QRSDTUOXDAVGFH-NRFANRHFSA-N 1 0 455.647 4.327 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001315831464 1065195638 /nfs/dbraw/zinc/19/56/38/1065195638.db2.gz VZACBFREDVUDSX-XMMPIXPASA-N 1 0 479.673 4.360 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3ccccc3C)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001315832013 1065197317 /nfs/dbraw/zinc/19/73/17/1065197317.db2.gz FHMQXEKQNIVVOY-UHFFFAOYSA-N 1 0 457.688 4.334 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315833971 1065204644 /nfs/dbraw/zinc/20/46/44/1065204644.db2.gz KOCPIAZSUXODDL-UHFFFAOYSA-N 1 0 469.674 4.459 20 0 JIADRO COCC1(Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC001315848475 1065240779 /nfs/dbraw/zinc/24/07/79/1065240779.db2.gz OXTRRTBUFAWACY-NOZRDPDXSA-N 1 0 483.701 4.409 20 0 JIADRO COCC1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC001315850878 1065246327 /nfs/dbraw/zinc/24/63/27/1065246327.db2.gz GXGRYCVYEAXMPS-UHFFFAOYSA-N 1 0 462.038 4.248 20 0 JIADRO COCc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001315856216 1065260065 /nfs/dbraw/zinc/26/00/65/1065260065.db2.gz MNKBQYGGHYABTM-UHFFFAOYSA-N 1 0 487.446 4.008 20 0 JIADRO COCc1ccc([C@H]2CCCN2c2nnc(-c3cccnc3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001315856456 1065260802 /nfs/dbraw/zinc/26/08/02/1065260802.db2.gz ICNYYEIUJJAQDH-RBBKRZOGSA-N 1 0 452.603 4.397 20 0 JIADRO COCC1=CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001315861820 1065273361 /nfs/dbraw/zinc/27/33/61/1065273361.db2.gz JAVOOAMCVKTXDK-JOCHJYFZSA-N 1 0 451.615 4.080 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315869367 1065290665 /nfs/dbraw/zinc/29/06/65/1065290665.db2.gz GPSKMMRWJIYRKE-DEOSSOPVSA-N 1 0 467.658 4.377 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315869379 1065290697 /nfs/dbraw/zinc/29/06/97/1065290697.db2.gz HEDWQSLJUWHBEQ-VWLOTQADSA-N 1 0 467.658 4.459 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315877536 1065309717 /nfs/dbraw/zinc/30/97/17/1065309717.db2.gz CYFVPQXPXRXVJJ-PZJWPPBQSA-N 1 0 460.692 4.151 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315883610 1065324676 /nfs/dbraw/zinc/32/46/76/1065324676.db2.gz HYPFHBGCNMEFJU-NZQKXSOJSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315884341 1065328387 /nfs/dbraw/zinc/32/83/87/1065328387.db2.gz KVJLCWCPGJWRJZ-XLIONFOSSA-N 1 0 493.494 4.409 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315884900 1065330489 /nfs/dbraw/zinc/33/04/89/1065330489.db2.gz YVKPVTWFAPCAQN-FCHUYYIVSA-N 1 0 455.647 4.471 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315885279 1065331510 /nfs/dbraw/zinc/33/15/10/1065331510.db2.gz NIZDDWLXFUCHFZ-YADHBBJMSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCCCC2)C1 ZINC001315885448 1065332105 /nfs/dbraw/zinc/33/21/05/1065332105.db2.gz BKKMVXSVTQYHFH-HSZRJFAPSA-N 1 0 455.647 4.213 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCC2)C1 ZINC001315889444 1065343879 /nfs/dbraw/zinc/34/38/79/1065343879.db2.gz HFMLKYLCCFKEQM-RTWAWAEBSA-N 1 0 490.693 4.087 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001315890232 1065346498 /nfs/dbraw/zinc/34/64/98/1065346498.db2.gz NTWHCJQHTRFWBX-IEBWSBKVSA-N 1 0 454.644 4.190 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)[NH+](C)C)C1 ZINC001315890236 1065346567 /nfs/dbraw/zinc/34/65/67/1065346567.db2.gz NTWHCJQHTRFWBX-PKOBYXMFSA-N 1 0 454.644 4.190 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001315891568 1065350460 /nfs/dbraw/zinc/35/04/60/1065350460.db2.gz UIAJNRGECWEXHY-VAMGGRTRSA-N 1 0 462.038 4.419 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315892266 1065352672 /nfs/dbraw/zinc/35/26/72/1065352672.db2.gz UBNLJJCCOTYSKX-GHTZIAJQSA-N 1 0 461.054 4.367 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315892337 1065353359 /nfs/dbraw/zinc/35/33/59/1065353359.db2.gz CELXPNCRKLEANF-VXKWHMMOSA-N 1 0 455.647 4.185 20 0 JIADRO COC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001315898357 1065367360 /nfs/dbraw/zinc/36/73/60/1065367360.db2.gz YJIZQLAHBYEUHQ-UGKGYDQZSA-N 1 0 457.619 4.235 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001315898354 1065367413 /nfs/dbraw/zinc/36/74/13/1065367413.db2.gz YJIZQLAHBYEUHQ-DENIHFKCSA-N 1 0 457.619 4.235 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001315898944 1065368538 /nfs/dbraw/zinc/36/85/38/1065368538.db2.gz OBCFVIIWQBFEKB-VGOFRKELSA-N 1 0 475.609 4.374 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315899875 1065371279 /nfs/dbraw/zinc/37/12/79/1065371279.db2.gz RDQIHNULFGMAGI-DNQXCXABSA-N 1 0 469.674 4.457 20 0 JIADRO COC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315903248 1065381808 /nfs/dbraw/zinc/38/18/08/1065381808.db2.gz VWTGQOWGLODCLK-VXKWHMMOSA-N 1 0 457.688 4.474 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001316177847 1065857259 /nfs/dbraw/zinc/85/72/59/1065857259.db2.gz AVXQVTJVQCWOKA-FGZHOGPDSA-N 1 0 455.647 4.261 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316178837 1065858222 /nfs/dbraw/zinc/85/82/22/1065858222.db2.gz ZLFWUHMZOIAOSP-WBJOIXBTSA-N 1 0 469.674 4.425 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316181949 1065863960 /nfs/dbraw/zinc/86/39/60/1065863960.db2.gz CKDSZHVPBYUVDC-PWRODBHTSA-N 1 0 473.637 4.385 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCc3c(C)cccc3C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316183817 1065868058 /nfs/dbraw/zinc/86/80/58/1065868058.db2.gz GLNJHZAGIXRRHO-OFVILXPXSA-N 1 0 469.674 4.384 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316184858 1065870210 /nfs/dbraw/zinc/87/02/10/1065870210.db2.gz QWQPJBAGOVGOHP-VAMGGRTRSA-N 1 0 476.065 4.339 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001316192658 1065885102 /nfs/dbraw/zinc/88/51/02/1065885102.db2.gz FJJQEVBRPGUMEZ-ANAFOTAVSA-N 1 0 491.721 4.034 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCc3sccc3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001316193211 1065885991 /nfs/dbraw/zinc/88/59/91/1065885991.db2.gz SQHSEWWHDNMLRK-UXHICEINSA-N 1 0 461.676 4.281 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H]2c2ccccc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316194430 1065888172 /nfs/dbraw/zinc/88/81/72/1065888172.db2.gz SATGQPWGXDVNMA-CQOQZXRMSA-N 1 0 455.647 4.464 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001316195712 1065889927 /nfs/dbraw/zinc/88/99/27/1065889927.db2.gz AKGHKXWVMHVFLW-FQEVSTJZSA-N 1 0 473.637 4.184 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1ccc(F)cc1Cl ZINC001316196956 1065892939 /nfs/dbraw/zinc/89/29/39/1065892939.db2.gz HCKXMXZHSLGTFR-IBGZPJMESA-N 1 0 494.055 4.492 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316220764 1065935702 /nfs/dbraw/zinc/93/57/02/1065935702.db2.gz KWJKTQUMBOJPJU-VWNXMTODSA-N 1 0 485.673 4.235 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316233032 1065961558 /nfs/dbraw/zinc/96/15/58/1065961558.db2.gz GQCMWVCMHAKKMP-QKNQBKEWSA-N 1 0 494.055 4.490 20 0 JIADRO COCCOC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001316239134 1065975955 /nfs/dbraw/zinc/97/59/55/1065975955.db2.gz SHMXEORFTPEQDY-ZBLYBZFDSA-N 1 0 485.673 4.096 20 0 JIADRO COCCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001316250121 1065992090 /nfs/dbraw/zinc/99/20/90/1065992090.db2.gz SWOLXQFVFGLDNI-UHFFFAOYSA-N 1 0 491.627 4.043 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)c2ccccc2)n1CC1([NH+](C)C)CCCC1 ZINC001316269572 1066012623 /nfs/dbraw/zinc/01/26/23/1066012623.db2.gz LHSPGMHMVHUHDY-PMVMPFDFSA-N 1 0 455.647 4.116 20 0 JIADRO 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JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001316285413 1066041926 /nfs/dbraw/zinc/04/19/26/1066041926.db2.gz BSYQIZFEYDKCBL-YDHSSHFGSA-N 1 0 492.064 4.090 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001316286280 1066043143 /nfs/dbraw/zinc/04/31/43/1066043143.db2.gz IPPXPCDQLAATHZ-ZULIPRJHSA-N 1 0 473.584 4.263 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCC[N@H+](C)C(C)C ZINC001316287112 1066044260 /nfs/dbraw/zinc/04/42/60/1066044260.db2.gz LDGAHEBTBIBQLY-FIXSFTCYSA-N 1 0 455.647 4.035 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)c1ccc(C)cc1 ZINC001316294598 1066056001 /nfs/dbraw/zinc/05/60/01/1066056001.db2.gz BBINFPGOAWECLX-PMVMPFDFSA-N 1 0 455.647 4.035 20 0 JIADRO COC[C@H]1[C@@H]2CN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CC(C)(C)C[NH+](C)C)CC[C@H]12 ZINC001316302561 1066062799 /nfs/dbraw/zinc/06/27/99/1066062799.db2.gz LZLBEZYQZGCPFV-RBZQAINGSA-N 1 0 483.701 4.461 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001316312326 1066068019 /nfs/dbraw/zinc/06/80/19/1066068019.db2.gz KOGIJYPNNANXTJ-LJQANCHMSA-N 1 0 476.463 4.363 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001316313374 1066069417 /nfs/dbraw/zinc/06/94/17/1066069417.db2.gz CTJLHYNFURFHMK-TZIWHRDSSA-N 1 0 460.022 4.175 20 0 JIADRO CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316314073 1066070249 /nfs/dbraw/zinc/07/02/49/1066070249.db2.gz QNLVYHPPLJHMHG-KZKAQZJJSA-N 1 0 455.647 4.495 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316314200 1066070899 /nfs/dbraw/zinc/07/08/99/1066070899.db2.gz MQLPYJAUMFUOTB-PLACYPQZSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001316315475 1066071640 /nfs/dbraw/zinc/07/16/40/1066071640.db2.gz MVWUSSGLXCHETJ-QGZVFWFLSA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001316322585 1066078120 /nfs/dbraw/zinc/07/81/20/1066078120.db2.gz VOPPOMGBDLHIOH-PQNGQFLHSA-N 1 0 499.700 4.268 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316323116 1066079661 /nfs/dbraw/zinc/07/96/61/1066079661.db2.gz WWIQFNZCNJTGPW-PCCBWWKXSA-N 1 0 453.587 4.156 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316323115 1066079761 /nfs/dbraw/zinc/07/97/61/1066079761.db2.gz WWIQFNZCNJTGPW-HKBOAZHASA-N 1 0 453.587 4.156 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001316324102 1066080509 /nfs/dbraw/zinc/08/05/09/1066080509.db2.gz QWIYRZOJWDEGBM-KRWDZBQOSA-N 1 0 450.425 4.052 20 0 JIADRO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCCC(F)(F)F)c1 ZINC001316337365 1066092088 /nfs/dbraw/zinc/09/20/88/1066092088.db2.gz VAKOBFPJBATQDG-SFHVURJKSA-N 1 0 499.603 4.003 20 0 JIADRO CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001316362949 1066099078 /nfs/dbraw/zinc/09/90/78/1066099078.db2.gz IBEGTITZYGVKFI-PZJWPPBQSA-N 1 0 472.703 4.047 20 0 JIADRO CSC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001316365801 1066106977 /nfs/dbraw/zinc/10/69/77/1066106977.db2.gz RRSYEVKUKWUBGD-WBVHZDCISA-N 1 0 451.587 4.361 20 0 JIADRO CSC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001316372134 1066123653 /nfs/dbraw/zinc/12/36/53/1066123653.db2.gz MIIFIWNJTWEQCC-UHFFFAOYSA-N 1 0 458.720 4.267 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316379553 1066147484 /nfs/dbraw/zinc/14/74/84/1066147484.db2.gz UDMAJGZDWLIUQN-MRXNPFEDSA-N 1 0 463.076 4.171 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001316380322 1066148671 /nfs/dbraw/zinc/14/86/71/1066148671.db2.gz YNDCUIXTOYJXTF-FQEVSTJZSA-N 1 0 450.656 4.440 20 0 JIADRO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001316382776 1066151493 /nfs/dbraw/zinc/15/14/93/1066151493.db2.gz JIUIIGGFQDVBDV-GOSISDBHSA-N 1 0 456.685 4.016 20 0 JIADRO CS[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384305 1066153346 /nfs/dbraw/zinc/15/33/46/1066153346.db2.gz SRRIXPNCACXWQG-LEWJYISDSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)(C)C ZINC001316395075 1066171196 /nfs/dbraw/zinc/17/11/96/1066171196.db2.gz LHRCAHHHJBMKOX-ZDXQCDESSA-N 1 0 499.773 4.036 20 0 JIADRO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396154 1066172873 /nfs/dbraw/zinc/17/28/73/1066172873.db2.gz RYWBGONMOQQTMO-FCHUYYIVSA-N 1 0 456.704 4.354 20 0 JIADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2C)CC[NH+](C)CC1 ZINC001316401557 1066179596 /nfs/dbraw/zinc/17/95/96/1066179596.db2.gz DCIHRJQKGVYHHB-UHFFFAOYSA-N 1 0 474.078 4.104 20 0 JIADRO CSC1(Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316404726 1066186805 /nfs/dbraw/zinc/18/68/05/1066186805.db2.gz PUXKUDNZBUEIDX-GPWHBBDMSA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC001316405164 1066187865 /nfs/dbraw/zinc/18/78/65/1066187865.db2.gz ZOFIBYLQUXOAEY-UHFFFAOYSA-N 1 0 457.688 4.416 20 0 JIADRO CSC1(Cn2c(C3CC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC[NH+](C)CC1 ZINC001316405883 1066188891 /nfs/dbraw/zinc/18/88/91/1066188891.db2.gz IALNLSLANBODFZ-UHFFFAOYSA-N 1 0 451.587 4.221 20 0 JIADRO CSC1(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC001316407165 1066190581 /nfs/dbraw/zinc/19/05/81/1066190581.db2.gz SIVGHLWCBCHCOG-UHFFFAOYSA-N 1 0 472.609 4.391 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC[NH+](C)CC1 ZINC001316409785 1066196000 /nfs/dbraw/zinc/19/60/00/1066196000.db2.gz ICQBUMJNHNIJGQ-VQTJNVASSA-N 1 0 475.728 4.323 20 0 JIADRO CSC1(Cn2c(N(C)c3ccc(C)cc3)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411938 1066201941 /nfs/dbraw/zinc/20/19/41/1066201941.db2.gz XKOBEQSXJNWJIA-VWLOTQADSA-N 1 0 473.687 4.222 20 0 JIADRO CSc1cc(C)ccc1Cn1c(N2CC[NH+](CC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001316414110 1066207310 /nfs/dbraw/zinc/20/73/10/1066207310.db2.gz GWMMIKBWBVGESA-SANMLTNESA-N 1 0 487.714 4.175 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001492498853 1066230062 /nfs/dbraw/zinc/23/00/62/1066230062.db2.gz VEANREGGFSJSSM-INIZCTEOSA-N 1 0 459.392 4.125 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001324875345 1066231795 /nfs/dbraw/zinc/23/17/95/1066231795.db2.gz ZGSQASQNMWRSNC-PRVBGKCFSA-N 1 0 491.632 4.193 20 0 JIADRO O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001324978053 1066233948 /nfs/dbraw/zinc/23/39/48/1066233948.db2.gz DPUSNPVOMCYCKV-NRFANRHFSA-N 1 0 471.605 4.288 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316429156 1066258863 /nfs/dbraw/zinc/25/88/63/1066258863.db2.gz XERWPKJVHJAESN-LFAGZIFBSA-N 1 0 456.704 4.496 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001316431019 1066267295 /nfs/dbraw/zinc/26/72/95/1066267295.db2.gz RNDQOTGGPBHCQI-CQOQZXRMSA-N 1 0 487.714 4.387 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC001325765559 1066269509 /nfs/dbraw/zinc/26/95/09/1066269509.db2.gz ZGFTYGDCXLARTI-XMMPIXPASA-N 1 0 492.023 4.055 20 0 JIADRO CSCc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001316432233 1066273194 /nfs/dbraw/zinc/27/31/94/1066273194.db2.gz DHZNUQZFRQMKPC-QHCPKHFHSA-N 1 0 457.688 4.250 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492500002 1066277841 /nfs/dbraw/zinc/27/78/41/1066277841.db2.gz LTNXWJSDWHNTCQ-SJLPKXTDSA-N 1 0 490.578 4.158 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316433357 1066278684 /nfs/dbraw/zinc/27/86/84/1066278684.db2.gz OZAOFTVUQXAXDG-MZYLBHOOSA-N 1 0 484.714 4.049 20 0 JIADRO CSCc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001316434695 1066283049 /nfs/dbraw/zinc/28/30/49/1066283049.db2.gz RKMAMYGDNBWMPZ-UHFFFAOYSA-N 1 0 470.712 4.323 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001316438521 1066293373 /nfs/dbraw/zinc/29/33/73/1066293373.db2.gz TXNTZVZAIXXDBK-ACRUOGEOSA-N 1 0 457.688 4.473 20 0 JIADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326470361 1066298328 /nfs/dbraw/zinc/29/83/28/1066298328.db2.gz JBCNMXKMYZOEDS-JOCHJYFZSA-N 1 0 487.442 4.256 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492502060 1066300097 /nfs/dbraw/zinc/30/00/97/1066300097.db2.gz HUZYRRLIBCYOLU-BGYRXZFFSA-N 1 0 454.663 4.268 20 0 JIADRO Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)ccc1N1CC[NH+](C)CC1 ZINC001326931080 1066307313 /nfs/dbraw/zinc/30/73/13/1066307313.db2.gz QWDLLPJTVNUTML-UHFFFAOYSA-N 1 0 460.916 4.171 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316443919 1066309554 /nfs/dbraw/zinc/30/95/54/1066309554.db2.gz IXDBSHJVADZNHA-DLBZAZTESA-N 1 0 483.524 4.356 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492505735 1066323959 /nfs/dbraw/zinc/32/39/59/1066323959.db2.gz DZKNHEZZKDXVOD-WMQCIHAUSA-N 1 0 480.579 4.315 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316448775 1066324847 /nfs/dbraw/zinc/32/48/47/1066324847.db2.gz QXFRKHQHWXPTLY-MDNUFGMLSA-N 1 0 457.688 4.415 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001316450214 1066328140 /nfs/dbraw/zinc/32/81/40/1066328140.db2.gz XZLIGVLQRIWFIB-HXUWFJFHSA-N 1 0 492.734 4.232 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCCCCO)n1 ZINC001492508785 1066335403 /nfs/dbraw/zinc/33/54/03/1066335403.db2.gz ADXWVBHJFRRYIM-QHCPKHFHSA-N 1 0 462.642 4.302 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCCCCO)n1 ZINC001492508784 1066335651 /nfs/dbraw/zinc/33/56/51/1066335651.db2.gz ADXWVBHJFRRYIM-HSZRJFAPSA-N 1 0 462.642 4.302 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@](O)(c4ccccc4F)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492510954 1066342598 /nfs/dbraw/zinc/34/25/98/1066342598.db2.gz IEUGMFXHCSAXOB-AREMUKBSSA-N 1 0 466.605 4.004 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140020 1066346966 /nfs/dbraw/zinc/34/69/66/1066346966.db2.gz IWTNDBJEBDGVFW-MOPGFXCFSA-N 1 0 457.416 4.077 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001492512202 1066350413 /nfs/dbraw/zinc/35/04/13/1066350413.db2.gz WLGROJBQGGDKBN-AREMUKBSSA-N 1 0 454.663 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001492512605 1066351162 /nfs/dbraw/zinc/35/11/62/1066351162.db2.gz LHADGQZVOVSFAY-NRFANRHFSA-N 1 0 467.415 4.440 20 0 JIADRO CSCCCCn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316459127 1066351324 /nfs/dbraw/zinc/35/13/24/1066351324.db2.gz PFPIYRBIVDWZIX-UHFFFAOYSA-N 1 0 456.635 4.278 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492513334 1066352814 /nfs/dbraw/zinc/35/28/14/1066352814.db2.gz AIMYPVIWRZWESF-FGZHOGPDSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOc2ccc(Cl)cn2)n1 ZINC001492515487 1066360720 /nfs/dbraw/zinc/36/07/20/1066360720.db2.gz BFSAKYFWMIHIQK-UHFFFAOYSA-N 1 0 470.021 4.087 20 0 JIADRO CCOC[C@H]1CCCCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001475380156 1066361336 /nfs/dbraw/zinc/36/13/36/1066361336.db2.gz YUWWBYYYHBAUGB-UODIDJSMSA-N 1 0 456.652 4.184 20 0 JIADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492516043 1066364100 /nfs/dbraw/zinc/36/41/00/1066364100.db2.gz NWVSFKFIMBTIQH-IBGZPJMESA-N 1 0 493.622 4.233 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001316470155 1066375792 /nfs/dbraw/zinc/37/57/92/1066375792.db2.gz XPTTUNMOGFTTDE-OALUTQOASA-N 1 0 492.690 4.435 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316470702 1066377121 /nfs/dbraw/zinc/37/71/21/1066377121.db2.gz NJPWMZIIVFCXLK-PKTZIBPZSA-N 1 0 457.688 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC001332638241 1066378639 /nfs/dbraw/zinc/37/86/39/1066378639.db2.gz CVTYMAOIBSDJAL-PKTZIBPZSA-N 1 0 462.642 4.415 20 0 JIADRO CSCCCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316471645 1066379396 /nfs/dbraw/zinc/37/93/96/1066379396.db2.gz FVYBUGLAPYBVCA-UHFFFAOYSA-N 1 0 454.619 4.253 20 0 JIADRO CSCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001316480412 1066394567 /nfs/dbraw/zinc/39/45/67/1066394567.db2.gz CZTFNHHNVQOCGK-TZIWHRDSSA-N 1 0 496.647 4.031 20 0 JIADRO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492523577 1066394805 /nfs/dbraw/zinc/39/48/05/1066394805.db2.gz SKCFMDUGPALGFX-JOCHJYFZSA-N 1 0 452.647 4.331 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487256 1066409793 /nfs/dbraw/zinc/40/97/93/1066409793.db2.gz LBYRPNPQHJDIRK-XFQXTVEOSA-N 1 0 464.511 4.360 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487560 1066410711 /nfs/dbraw/zinc/41/07/11/1066410711.db2.gz QOKXJBVRHFJZEU-XFQXTVEOSA-N 1 0 462.495 4.417 20 0 JIADRO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001492526115 1066412279 /nfs/dbraw/zinc/41/22/79/1066412279.db2.gz NSTHVGCSAVVCHM-UHFFFAOYSA-N 1 0 483.060 4.482 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2ccc[nH]2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001316498221 1066452719 /nfs/dbraw/zinc/45/27/19/1066452719.db2.gz YZIAIPSYPRTWCB-HXUWFJFHSA-N 1 0 493.656 4.287 20 0 JIADRO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@H](C)C1(F)F ZINC001316500135 1066459607 /nfs/dbraw/zinc/45/96/07/1066459607.db2.gz CLELYSSLAAADLP-XJUOHMSHSA-N 1 0 475.628 4.028 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)C1(F)F ZINC001316502194 1066464100 /nfs/dbraw/zinc/46/41/00/1066464100.db2.gz XIBFZZFSMHQADZ-WSTZPKSXSA-N 1 0 465.564 4.171 20 0 JIADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2cccc(C)c2)n1 ZINC001492531627 1066470479 /nfs/dbraw/zinc/47/04/79/1066470479.db2.gz IFPBYHRPHZZSKG-UHFFFAOYSA-N 1 0 463.674 4.247 20 0 JIADRO Cc1cc(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)ccc1N1CC[NH+](C)CC1 ZINC001337396972 1066478310 /nfs/dbraw/zinc/47/83/10/1066478310.db2.gz UYVIYDNVGNYTJW-JOCHJYFZSA-N 1 0 452.990 4.045 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2)CC1 ZINC001337464093 1066484792 /nfs/dbraw/zinc/48/47/92/1066484792.db2.gz ZUBXUNAEJMBICB-UHFFFAOYSA-N 1 0 472.362 4.168 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 ZINC001316508148 1066486223 /nfs/dbraw/zinc/48/62/23/1066486223.db2.gz RNYKKJAJPUDWIE-SFHVURJKSA-N 1 0 494.105 4.338 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)NC(=O)OC(C)(C)C ZINC001337503307 1066488144 /nfs/dbraw/zinc/48/81/44/1066488144.db2.gz QRQYTCRGTYTPOZ-QFIPXVFZSA-N 1 0 497.640 4.143 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001316509161 1066490460 /nfs/dbraw/zinc/49/04/60/1066490460.db2.gz YMOFVCRRDVNKNT-FQEVSTJZSA-N 1 0 457.663 4.249 20 0 JIADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1=S ZINC001337614280 1066499787 /nfs/dbraw/zinc/49/97/87/1066499787.db2.gz OXJQYQUDVQZOAR-JOCHJYFZSA-N 1 0 498.697 4.193 20 0 JIADRO FC(F)(F)CO[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001316515088 1066509107 /nfs/dbraw/zinc/50/91/07/1066509107.db2.gz PCOCJSVTLKGHLJ-QFIPXVFZSA-N 1 0 479.591 4.487 20 0 JIADRO COc1ccc(C)cc1C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CCOCC1 ZINC001337782937 1066510985 /nfs/dbraw/zinc/51/09/85/1066510985.db2.gz ZRTXDCPMBUMJAE-UHFFFAOYSA-N 1 0 465.638 4.278 20 0 JIADRO FC(F)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316517891 1066519003 /nfs/dbraw/zinc/51/90/03/1066519003.db2.gz CYRKCYPRFUYLOK-GOSISDBHSA-N 1 0 484.389 4.054 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)C1 ZINC001337982117 1066523088 /nfs/dbraw/zinc/52/30/88/1066523088.db2.gz LLFNLEPABSCICA-KRWDZBQOSA-N 1 0 494.455 4.020 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001338004665 1066524914 /nfs/dbraw/zinc/52/49/14/1066524914.db2.gz VJTPIOMWGHWNCD-MRXNPFEDSA-N 1 0 467.994 4.050 20 0 JIADRO FC(F)COCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316520295 1066525182 /nfs/dbraw/zinc/52/51/82/1066525182.db2.gz XXUUOLFYMUJHHC-UHFFFAOYSA-N 1 0 467.992 4.259 20 0 JIADRO O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001338089880 1066529840 /nfs/dbraw/zinc/52/98/40/1066529840.db2.gz UNKDHWKQXHTUOP-YJJPMGAVSA-N 1 0 459.421 4.462 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCOCC(F)F ZINC001316522386 1066530044 /nfs/dbraw/zinc/53/00/44/1066530044.db2.gz QFNUZINPSFXEJE-UHFFFAOYSA-N 1 0 471.955 4.474 20 0 JIADRO Fc1ccc(Cc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(F)(F)Br)cc1 ZINC001316522528 1066530102 /nfs/dbraw/zinc/53/01/02/1066530102.db2.gz CSRYZDYNDOPAIV-UHFFFAOYSA-N 1 0 486.380 4.450 20 0 JIADRO FC(F)[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001316522844 1066531489 /nfs/dbraw/zinc/53/14/89/1066531489.db2.gz NEHBMSHNLKBIPQ-SFHVURJKSA-N 1 0 483.991 4.104 20 0 JIADRO COc1cc(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc(Cl)c1OCC(C)C ZINC001338464893 1066557535 /nfs/dbraw/zinc/55/75/35/1066557535.db2.gz FVESLALYDWGMFH-UHFFFAOYSA-N 1 0 460.018 4.061 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)cc2)C1 ZINC001338514042 1066560658 /nfs/dbraw/zinc/56/06/58/1066560658.db2.gz PNAGTLXTLADIMC-NRFANRHFSA-N 1 0 494.599 4.248 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)cc2)C1 ZINC001338514043 1066560934 /nfs/dbraw/zinc/56/09/34/1066560934.db2.gz PNAGTLXTLADIMC-OAQYLSRUSA-N 1 0 494.599 4.248 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC001338544080 1066563108 /nfs/dbraw/zinc/56/31/08/1066563108.db2.gz UCIHGPVNPZWFBT-BHBYDHKZSA-N 1 0 496.655 4.235 20 0 JIADRO COc1cccc2cc(CNC(=O)N(C)C3CC[NH+](Cc4ncc(C)c(OC)c4C)CC3)oc21 ZINC001338544803 1066563976 /nfs/dbraw/zinc/56/39/76/1066563976.db2.gz ZLZFRDSLBWMELW-UHFFFAOYSA-N 1 0 466.582 4.268 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001338619647 1066566321 /nfs/dbraw/zinc/56/63/21/1066566321.db2.gz YMRVHDSPSPEUER-UHFFFAOYSA-N 1 0 450.514 4.291 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1 ZINC001338729703 1066569378 /nfs/dbraw/zinc/56/93/78/1066569378.db2.gz RNSGRLOCQNTXPN-UHFFFAOYSA-N 1 0 478.058 4.107 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001338729420 1066569532 /nfs/dbraw/zinc/56/95/32/1066569532.db2.gz LVNAULCIXGUNLY-UHFFFAOYSA-N 1 0 471.667 4.222 20 0 JIADRO O=C(Nc1ccccn1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316560568 1066578602 /nfs/dbraw/zinc/57/86/02/1066578602.db2.gz VXBRZFMLFQZABM-LJQANCHMSA-N 1 0 493.578 4.360 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCOC(C)C)CC2)c1 ZINC001492535003 1066583179 /nfs/dbraw/zinc/58/31/79/1066583179.db2.gz WOVQFLPTZBBDBE-UHFFFAOYSA-N 1 0 469.033 4.439 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001492536753 1066591583 /nfs/dbraw/zinc/59/15/83/1066591583.db2.gz HORYYQIVRYJKSL-DHIUTWEWSA-N 1 0 468.690 4.365 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492537238 1066593309 /nfs/dbraw/zinc/59/33/09/1066593309.db2.gz SLSPGUHHCYZECQ-XUZZJYLKSA-N 1 0 479.673 4.389 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 ZINC001316585537 1066607126 /nfs/dbraw/zinc/60/71/26/1066607126.db2.gz URWFSDSCTYVRHG-IBGZPJMESA-N 1 0 498.416 4.180 20 0 JIADRO OCCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001316586684 1066611307 /nfs/dbraw/zinc/61/13/07/1066611307.db2.gz BFBPMGYMLWRNSO-GOSISDBHSA-N 1 0 480.426 4.074 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCC[NH+]2CCCC2)c1 ZINC001492538485 1066616471 /nfs/dbraw/zinc/61/64/71/1066616471.db2.gz HEYBPWCKJRQKNT-UHFFFAOYSA-N 1 0 491.562 4.040 20 0 JIADRO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(CN2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC001317705366 1066638083 /nfs/dbraw/zinc/63/80/83/1066638083.db2.gz YVCFZLANTRSJDV-FPOVZHCZSA-N 1 0 489.711 4.355 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541568 1066649932 /nfs/dbraw/zinc/64/99/32/1066649932.db2.gz HERMDCXXHYVNEO-VWNXMTODSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492542182 1066654695 /nfs/dbraw/zinc/65/46/95/1066654695.db2.gz LCRGSWGPXWZEGN-PZJWPPBQSA-N 1 0 495.590 4.444 20 0 JIADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001346274727 1066658674 /nfs/dbraw/zinc/65/86/74/1066658674.db2.gz XWGNHLUHVYMYBI-IYBDPMFKSA-N 1 0 494.027 4.046 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492542626 1066658873 /nfs/dbraw/zinc/65/88/73/1066658873.db2.gz PPLRORAYTZIKDP-VXKWHMMOSA-N 1 0 455.647 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001492544059 1066678712 /nfs/dbraw/zinc/67/87/12/1066678712.db2.gz FTKMLPOEDPRKSX-NHCUHLMSSA-N 1 0 495.590 4.181 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 ZINC001347323296 1066679096 /nfs/dbraw/zinc/67/90/96/1066679096.db2.gz ONBIZNLTZGISEC-CYBMUJFWSA-N 1 0 457.415 4.422 20 0 JIADRO COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1=O ZINC001347683245 1066684065 /nfs/dbraw/zinc/68/40/65/1066684065.db2.gz OODWAJTVJXTHOK-KRWDZBQOSA-N 1 0 461.484 4.301 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[NH+](C)CC1 ZINC001317792360 1066691844 /nfs/dbraw/zinc/69/18/44/1066691844.db2.gz JLOVQQLOXUNDKZ-JOCHJYFZSA-N 1 0 475.420 4.297 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC001317801599 1066697822 /nfs/dbraw/zinc/69/78/22/1066697822.db2.gz STJPRXXQLQKNGW-UHFFFAOYSA-N 1 0 457.578 4.426 20 0 JIADRO Cc1cc(NC(=O)N(C)CCOc2ccc(Br)cc2)ccc1N1CC[NH+](C)CC1 ZINC001317829812 1066715461 /nfs/dbraw/zinc/71/54/61/1066715461.db2.gz IBHASJIZLMELDZ-UHFFFAOYSA-N 1 0 461.404 4.052 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)CC2)cc1 ZINC001317834667 1066720267 /nfs/dbraw/zinc/72/02/67/1066720267.db2.gz LNGIOBBEOIDFAK-DHIUTWEWSA-N 1 0 483.678 4.010 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)CC1 ZINC001317838683 1066723470 /nfs/dbraw/zinc/72/34/70/1066723470.db2.gz RZVXQOOAHQFUHJ-RUZDIDTESA-N 1 0 458.610 4.272 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)c1 ZINC001317858890 1066738150 /nfs/dbraw/zinc/73/81/50/1066738150.db2.gz MEHMMRGOGNRICE-UHFFFAOYSA-N 1 0 463.626 4.154 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)sc2Br)CC1 ZINC001348389100 1066741948 /nfs/dbraw/zinc/74/19/48/1066741948.db2.gz MNCFZPITJBMCJG-UHFFFAOYSA-N 1 0 459.207 4.277 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001492545732 1066757017 /nfs/dbraw/zinc/75/70/17/1066757017.db2.gz OUTFBSJFKUZFFW-PKTZIBPZSA-N 1 0 455.647 4.290 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3noc4ccc(Br)cc43)c(C)c2)CC1 ZINC001348579032 1066758113 /nfs/dbraw/zinc/75/81/13/1066758113.db2.gz FWMHBBBKRVIYDX-UHFFFAOYSA-N 1 0 457.372 4.222 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)c(C)c2)CC1 ZINC001348578872 1066758256 /nfs/dbraw/zinc/75/82/56/1066758256.db2.gz CDNDUUHSNJQKLQ-UHFFFAOYSA-N 1 0 450.562 4.232 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546410 1066773454 /nfs/dbraw/zinc/77/34/54/1066773454.db2.gz VSJRKFPZJGBZHI-BJKOFHAPSA-N 1 0 496.700 4.171 20 0 JIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001317911707 1066781626 /nfs/dbraw/zinc/78/16/26/1066781626.db2.gz NFFTUYZLZYBIJW-UHFFFAOYSA-N 1 0 462.594 4.172 20 0 JIADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC001348899166 1066787786 /nfs/dbraw/zinc/78/77/86/1066787786.db2.gz NBGFZZJESARFSH-UHFFFAOYSA-N 1 0 491.680 4.366 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)NC[C@@H]1CCCO1 ZINC001317946821 1066804274 /nfs/dbraw/zinc/80/42/74/1066804274.db2.gz VWQKKLFAEHAJLZ-IBGZPJMESA-O 1 0 472.656 4.197 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCCCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492546500 1066827769 /nfs/dbraw/zinc/82/77/69/1066827769.db2.gz XFEAZZUQAHDHHN-SZPZYZBQSA-N 1 0 455.647 4.434 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001317999259 1066841832 /nfs/dbraw/zinc/84/18/32/1066841832.db2.gz BONBCVLMUWULHY-XXAUWVGASA-N 1 0 487.648 4.417 20 0 JIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001318025566 1066857959 /nfs/dbraw/zinc/85/79/59/1066857959.db2.gz ACOZHYOACCKSSJ-UHFFFAOYSA-N 1 0 492.780 4.431 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc1 ZINC001349754151 1066881340 /nfs/dbraw/zinc/88/13/40/1066881340.db2.gz ITENCHAXGQOINT-UHFFFAOYSA-N 1 0 458.534 4.412 20 0 JIADRO O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318065502 1066881546 /nfs/dbraw/zinc/88/15/46/1066881546.db2.gz VJKPJFDAIDKALA-FQEVSTJZSA-N 1 0 455.484 4.263 20 0 JIADRO O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318106983 1066902794 /nfs/dbraw/zinc/90/27/94/1066902794.db2.gz ILMLETDJZVTVPG-GOSISDBHSA-N 1 0 468.406 4.105 20 0 JIADRO COc1ccc([C@@H](CNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[NH+](C)C)cc1OC ZINC001318136449 1066918226 /nfs/dbraw/zinc/91/82/26/1066918226.db2.gz NOZATCMXJPUDQZ-OAQYLSRUSA-N 1 0 461.006 4.246 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1c(Cl)nn(C)c1Cl)C(C)(C)[NH2+]C(C)(C)C2 ZINC001350140165 1066923051 /nfs/dbraw/zinc/92/30/51/1066923051.db2.gz SHUHGYAAVOAQKM-UHFFFAOYSA-N 1 0 459.399 4.377 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(OC)cc(Br)c3OC)CC2)cc1 ZINC001318155972 1066928507 /nfs/dbraw/zinc/92/85/07/1066928507.db2.gz GZEKGLBKYSAAHR-UHFFFAOYSA-N 1 0 477.399 4.117 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[NH+]2CCCCC2)c1 ZINC001492547592 1066932231 /nfs/dbraw/zinc/93/22/31/1066932231.db2.gz DCSKXYCLGVMIAH-AREMUKBSSA-N 1 0 455.647 4.293 20 0 JIADRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC001318167914 1066934946 /nfs/dbraw/zinc/93/49/46/1066934946.db2.gz XHVVJKURGNDNNM-UHFFFAOYSA-O 1 0 482.607 4.192 20 0 JIADRO CN(C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318194741 1066951602 /nfs/dbraw/zinc/95/16/02/1066951602.db2.gz OSRJYSKVDXLBFV-AREMUKBSSA-N 1 0 472.637 4.052 20 0 JIADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001318208806 1066959623 /nfs/dbraw/zinc/95/96/23/1066959623.db2.gz SOXITOOSVLFDNH-UHFFFAOYSA-N 1 0 479.588 4.114 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)c2)CC1 ZINC001318218744 1066966982 /nfs/dbraw/zinc/96/69/82/1066966982.db2.gz MYXHOLZMVJMSCO-UHFFFAOYSA-N 1 0 487.629 4.046 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)CC1)C(C)C ZINC001318234214 1066975565 /nfs/dbraw/zinc/97/55/65/1066975565.db2.gz HESJPHZVCOWBPC-UHFFFAOYSA-N 1 0 482.547 4.154 20 0 JIADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318271779 1066995671 /nfs/dbraw/zinc/99/56/71/1066995671.db2.gz IWCKJPBULFUEPN-UHFFFAOYSA-N 1 0 477.422 4.460 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 ZINC001318289799 1067004396 /nfs/dbraw/zinc/00/43/96/1067004396.db2.gz LCJPNBIFZFWKPM-UHFFFAOYSA-N 1 0 484.044 4.476 20 0 JIADRO CN(C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318303975 1067008115 /nfs/dbraw/zinc/00/81/15/1067008115.db2.gz LGEPNSZSQZVQKC-UHFFFAOYSA-N 1 0 455.990 4.033 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 ZINC001318322908 1067016299 /nfs/dbraw/zinc/01/62/99/1067016299.db2.gz GCLBDRRXHFFMIB-UHFFFAOYSA-N 1 0 461.335 4.357 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1cn[nH]c1 ZINC001300683281 1067019790 /nfs/dbraw/zinc/01/97/90/1067019790.db2.gz IBPOYLAGEDAASI-UHFFFAOYSA-N 1 0 483.686 4.103 20 0 JIADRO Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318343014 1067025344 /nfs/dbraw/zinc/02/53/44/1067025344.db2.gz OKIAAYVYDJKYAR-UHFFFAOYSA-N 1 0 490.435 4.044 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2ccc3c(Br)cnn3c2)[NH+]2CCCCC2)cc1 ZINC001354675453 1067036093 /nfs/dbraw/zinc/03/60/93/1067036093.db2.gz AIHMKBKTZILVGW-NRFANRHFSA-N 1 0 457.372 4.062 20 0 JIADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cccn(CC(F)(F)F)c1=O)Cc1ccccc1 ZINC001354676095 1067036861 /nfs/dbraw/zinc/03/68/61/1067036861.db2.gz PVBDQFLIPQYPGX-UHFFFAOYSA-N 1 0 457.496 4.185 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492548644 1067041221 /nfs/dbraw/zinc/04/12/21/1067041221.db2.gz HETOYNHMGJDKHZ-UNMCSNQZSA-N 1 0 484.670 4.176 20 0 JIADRO COc1ccncc1Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300693153 1067043250 /nfs/dbraw/zinc/04/32/50/1067043250.db2.gz PHALTCRSABXANE-UHFFFAOYSA-N 1 0 452.578 4.093 20 0 JIADRO CC(C)c1c(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001318495009 1067048852 /nfs/dbraw/zinc/04/88/52/1067048852.db2.gz YQKQKKVMQCSFQW-UHFFFAOYSA-N 1 0 486.542 4.091 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC001318494232 1067048885 /nfs/dbraw/zinc/04/88/85/1067048885.db2.gz MEKCEDNLJHLFRE-UHFFFAOYSA-N 1 0 468.395 4.049 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)c1 ZINC001318531293 1067050748 /nfs/dbraw/zinc/05/07/48/1067050748.db2.gz KRABWQCRRYTJDY-UHFFFAOYSA-N 1 0 462.472 4.390 20 0 JIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1NS(C)(=O)=O ZINC001318549647 1067051837 /nfs/dbraw/zinc/05/18/37/1067051837.db2.gz AFIRQAZFGLVNQF-UHFFFAOYSA-N 1 0 487.453 4.028 20 0 JIADRO COc1ccncc1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001300696726 1067054654 /nfs/dbraw/zinc/05/46/54/1067054654.db2.gz HNZSNLSBCGBUFY-NRFANRHFSA-N 1 0 459.953 4.299 20 0 JIADRO CCn1nc(C(C)C)cc1C(=O)OCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001318596134 1067055404 /nfs/dbraw/zinc/05/54/04/1067055404.db2.gz UQRKTOCFPDCMQR-UHFFFAOYSA-N 1 0 489.620 4.144 20 0 JIADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N2CCC([NH+](CC)CC)CC2)c(Cl)cc1Cl ZINC001318619915 1067056592 /nfs/dbraw/zinc/05/65/92/1067056592.db2.gz FRJOUQDJNQHJEB-HNNXBMFYSA-N 1 0 478.486 4.407 20 0 JIADRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1)N1CCNC(=O)C1 ZINC001318620384 1067056886 /nfs/dbraw/zinc/05/68/86/1067056886.db2.gz AYWKGIDKMOAUDT-UHFFFAOYSA-N 1 0 458.345 4.115 20 0 JIADRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC001318629758 1067057864 /nfs/dbraw/zinc/05/78/64/1067057864.db2.gz KWKHPEMSSODBNF-SANMLTNESA-N 1 0 451.574 4.388 20 0 JIADRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c1 ZINC001200760084 1067058069 /nfs/dbraw/zinc/05/80/69/1067058069.db2.gz CEPBUPXJNVHHKN-UHFFFAOYSA-N 1 0 457.596 4.365 20 0 JIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001319301932 1067071631 /nfs/dbraw/zinc/07/16/31/1067071631.db2.gz HCDYSPGPBHVLOO-XMMPIXPASA-N 1 0 495.023 4.195 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001319373758 1067072960 /nfs/dbraw/zinc/07/29/60/1067072960.db2.gz VAGUWNONGHHQOM-UHFFFAOYSA-N 1 0 463.500 4.279 20 0 JIADRO Cc1c(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001351371233 1067085956 /nfs/dbraw/zinc/08/59/56/1067085956.db2.gz OZKVQBPGTSMOQF-UHFFFAOYSA-N 1 0 459.472 4.065 20 0 JIADRO COc1ncccc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300713751 1067088997 /nfs/dbraw/zinc/08/89/97/1067088997.db2.gz SXXQQLPNVLWABG-UHFFFAOYSA-N 1 0 478.641 4.271 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC001351462330 1067099016 /nfs/dbraw/zinc/09/90/16/1067099016.db2.gz VBDNUAKZNQQZPH-UHFFFAOYSA-N 1 0 452.595 4.307 20 0 JIADRO COc1cc(I)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC001321202047 1067101448 /nfs/dbraw/zinc/10/14/48/1067101448.db2.gz DAZWNJHAOWTIOO-UHFFFAOYSA-N 1 0 466.319 4.157 20 0 JIADRO CN(c1ccc(OC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1)S(=O)(=O)c1ccccc1 ZINC001354811210 1067130032 /nfs/dbraw/zinc/13/00/32/1067130032.db2.gz HYTWDHQOYYCBLE-UHFFFAOYSA-N 1 0 454.548 4.310 20 0 JIADRO CCc1c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC001351593861 1067138311 /nfs/dbraw/zinc/13/83/11/1067138311.db2.gz IUCYGTLZTJJONK-UHFFFAOYSA-N 1 0 459.381 4.141 20 0 JIADRO C[N@H+](CCOc1cccc(CNc2ccccc2S(=O)(=O)C(F)(F)F)c1)C1CCOCC1 ZINC001321507291 1067149926 /nfs/dbraw/zinc/14/99/26/1067149926.db2.gz UUDJOUGIQSRUBN-UHFFFAOYSA-N 1 0 472.529 4.082 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)cc2)CC1 ZINC001351629646 1067150109 /nfs/dbraw/zinc/15/01/09/1067150109.db2.gz CBBHKLYRUUMCIX-UHFFFAOYSA-N 1 0 452.990 4.438 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)no3)cc2)CC1 ZINC001351632066 1067152195 /nfs/dbraw/zinc/15/21/95/1067152195.db2.gz WNAWXXDWWKTZKU-UHFFFAOYSA-N 1 0 455.356 4.498 20 0 JIADRO COc1ccc(Br)cc1NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001321513957 1067153643 /nfs/dbraw/zinc/15/36/43/1067153643.db2.gz XEAVYJJDXRFHCL-UHFFFAOYSA-N 1 0 492.414 4.269 20 0 JIADRO COC1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001300730176 1067154012 /nfs/dbraw/zinc/15/40/12/1067154012.db2.gz DKQLRRSYRXFHFS-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CCN(c2cc[nH+]cc2)CC1 ZINC001200796676 1067157249 /nfs/dbraw/zinc/15/72/49/1067157249.db2.gz JZKOJXYUSXILBG-UHFFFAOYSA-N 1 0 474.197 4.265 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001321654941 1067192139 /nfs/dbraw/zinc/19/21/39/1067192139.db2.gz VZJIJKKAUOWASU-UHFFFAOYSA-N 1 0 450.539 4.162 20 0 JIADRO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351775356 1067201664 /nfs/dbraw/zinc/20/16/64/1067201664.db2.gz FZXWKBPPCFKSDW-FQEVSTJZSA-N 1 0 455.565 4.317 20 0 JIADRO CC(C)(C)[NH+]1CCN(Cn2nc(-c3c[nH]c4ccccc34)n(C[C@@H]3CCCO3)c2=S)CC1 ZINC001321782965 1067210344 /nfs/dbraw/zinc/21/03/44/1067210344.db2.gz DCSNXLXOLYSQQZ-SFHVURJKSA-N 1 0 454.644 4.115 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001321827719 1067215047 /nfs/dbraw/zinc/21/50/47/1067215047.db2.gz GXGVGSLCGLWJNO-NRFANRHFSA-N 1 0 488.632 4.279 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC001321834902 1067216853 /nfs/dbraw/zinc/21/68/53/1067216853.db2.gz SGVCJHCHIFZYNK-UHFFFAOYSA-N 1 0 497.599 4.346 20 0 JIADRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001321846455 1067218369 /nfs/dbraw/zinc/21/83/69/1067218369.db2.gz ZTBLKJOSQXGKCL-AREMUKBSSA-N 1 0 492.664 4.365 20 0 JIADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC001351866180 1067228059 /nfs/dbraw/zinc/22/80/59/1067228059.db2.gz UJMAUCCZLXHBCE-QHCPKHFHSA-N 1 0 457.977 4.127 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300744477 1067244565 /nfs/dbraw/zinc/24/45/65/1067244565.db2.gz IISSKIDLXSHCNT-LADGPHEKSA-N 1 0 455.647 4.210 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300744478 1067244964 /nfs/dbraw/zinc/24/49/64/1067244964.db2.gz IISSKIDLXSHCNT-UPVQGACJSA-N 1 0 455.647 4.210 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300744818 1067246218 /nfs/dbraw/zinc/24/62/18/1067246218.db2.gz KIFHJYIFHMXSSI-GMAHTHKFSA-N 1 0 455.647 4.025 20 0 JIADRO COc1ccc2c(c1)c(C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)c(C)n2C1CC1 ZINC001322077980 1067247464 /nfs/dbraw/zinc/24/74/64/1067247464.db2.gz SUBVKCZFYPEEOJ-UHFFFAOYSA-N 1 0 453.505 4.020 20 0 JIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001352018996 1067269966 /nfs/dbraw/zinc/26/99/66/1067269966.db2.gz KORKUXZORMCLLL-HXUWFJFHSA-N 1 0 457.372 4.244 20 0 JIADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001322334437 1067277280 /nfs/dbraw/zinc/27/72/80/1067277280.db2.gz QXYLZKGDTHGHFC-ZHRRBRCNSA-N 1 0 470.411 4.244 20 0 JIADRO CCc1ccc([C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2cccc(F)c2)cc1 ZINC001322393141 1067285909 /nfs/dbraw/zinc/28/59/09/1067285909.db2.gz WQPZEVRKTITVIZ-AREMUKBSSA-N 1 0 476.596 4.268 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001300758178 1067290380 /nfs/dbraw/zinc/29/03/80/1067290380.db2.gz AVLKQKWQZLPKFV-QFIPXVFZSA-N 1 0 469.033 4.497 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300758445 1067291148 /nfs/dbraw/zinc/29/11/48/1067291148.db2.gz SOQFURKXWKTNNA-HKUYNNGSSA-N 1 0 479.467 4.306 20 0 JIADRO C[C@H](NC(=O)CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC001352212089 1067310980 /nfs/dbraw/zinc/31/09/80/1067310980.db2.gz CPWVSJLZFQPFRR-FQEVSTJZSA-N 1 0 450.583 4.097 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001323085830 1067313836 /nfs/dbraw/zinc/31/38/36/1067313836.db2.gz NGKSHBOTJMXTKX-HXUWFJFHSA-N 1 0 469.611 4.164 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3F)cc2Br)[NH+]2CCCC2)cc1 ZINC001323152341 1067315249 /nfs/dbraw/zinc/31/52/49/1067315249.db2.gz YNGKORIUZMCZGU-OAQYLSRUSA-N 1 0 487.373 4.349 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnc(OCc3ccccc3)cn2)CC1 ZINC001354984544 1067316539 /nfs/dbraw/zinc/31/65/39/1067316539.db2.gz LQXJWVKVKBGBJP-UHFFFAOYSA-N 1 0 451.958 4.103 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001354984566 1067317048 /nfs/dbraw/zinc/31/70/48/1067317048.db2.gz MDXHNYKDVWXVLN-AEFFLSMTSA-N 1 0 451.011 4.066 20 0 JIADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC([NH+](CC)CC)CC3)cc2)c1C(F)(F)F ZINC001323295098 1067317116 /nfs/dbraw/zinc/31/71/16/1067317116.db2.gz DIUJPECFXKRNTA-UHFFFAOYSA-N 1 0 481.519 4.406 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300771575 1067320011 /nfs/dbraw/zinc/32/00/11/1067320011.db2.gz COZXNPRRHJQBDK-CNNODRBYSA-N 1 0 462.038 4.246 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001492495423 1067324695 /nfs/dbraw/zinc/32/46/95/1067324695.db2.gz XECQXRHOGMGCQW-BPJXYHRLSA-N 1 0 466.655 4.069 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492580400 1067325438 /nfs/dbraw/zinc/32/54/38/1067325438.db2.gz CTRLWLQAPRUVKI-FGCOXFRFSA-N 1 0 496.700 4.257 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001323723546 1067326303 /nfs/dbraw/zinc/32/63/03/1067326303.db2.gz UIBHSGAAWVQLNY-HHHXNRCGSA-N 1 0 486.664 4.210 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001300781637 1067336990 /nfs/dbraw/zinc/33/69/90/1067336990.db2.gz AYDINUIPOXWLDT-HHHXNRCGSA-N 1 0 469.674 4.476 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300000508 1067336960 /nfs/dbraw/zinc/33/69/60/1067336960.db2.gz GKQCOMCBIYGHSX-KRWDZBQOSA-N 1 0 469.552 4.329 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001300782010 1067337974 /nfs/dbraw/zinc/33/79/74/1067337974.db2.gz FUPXQPMSBBJHQA-UZLBHIALSA-N 1 0 499.553 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)CCC2CCOCC2)CC1 ZINC001300782303 1067338662 /nfs/dbraw/zinc/33/86/62/1067338662.db2.gz KWYUFTOYVPVMKY-UHFFFAOYSA-N 1 0 469.674 4.396 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001492497862 1067339575 /nfs/dbraw/zinc/33/95/75/1067339575.db2.gz KSPGTLNEDFGZKX-UHFFFAOYSA-N 1 0 462.520 4.026 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492497885 1067339650 /nfs/dbraw/zinc/33/96/50/1067339650.db2.gz LLXLVTUJXBNYKU-PXDATVDWSA-N 1 0 462.642 4.245 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001492498306 1067341848 /nfs/dbraw/zinc/34/18/48/1067341848.db2.gz YOZOEUNTKAKGCZ-JOCHJYFZSA-N 1 0 461.658 4.342 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001300785041 1067345419 /nfs/dbraw/zinc/34/54/19/1067345419.db2.gz ODUZEPKMYOEPPK-VQIMIIECSA-N 1 0 450.052 4.322 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001300785804 1067347597 /nfs/dbraw/zinc/34/75/97/1067347597.db2.gz NUWXHBXUHRLXJM-JOCHJYFZSA-N 1 0 471.715 4.399 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300003790 1067348866 /nfs/dbraw/zinc/34/88/66/1067348866.db2.gz ZLSJRWAVEMKZKF-UHFFFAOYSA-N 1 0 452.603 4.317 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001300003837 1067348891 /nfs/dbraw/zinc/34/88/91/1067348891.db2.gz UJLQLSZHDWWNIH-UHFFFAOYSA-N 1 0 483.613 4.081 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3F)nc2)cc1 ZINC001352354558 1067349197 /nfs/dbraw/zinc/34/91/97/1067349197.db2.gz INNORABQWNGUIV-UHFFFAOYSA-N 1 0 450.514 4.337 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2scc3c2OCCO3)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001352355054 1067349456 /nfs/dbraw/zinc/34/94/56/1067349456.db2.gz LPRMQSNHOJVXEX-UHFFFAOYSA-N 1 0 450.582 4.169 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(Cc3ccco3)C[C@@H]3CCCO3)nnc2C(C)(C)C)CC1 ZINC001300787562 1067351637 /nfs/dbraw/zinc/35/16/37/1067351637.db2.gz VEGZZJBUCCPHFT-QFIPXVFZSA-N 1 0 473.662 4.244 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C[NH+](C)C ZINC001492553965 1067352810 /nfs/dbraw/zinc/35/28/10/1067352810.db2.gz NSIJUFLAKDGUIC-HXUWFJFHSA-N 1 0 497.713 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001300006537 1067355475 /nfs/dbraw/zinc/35/54/75/1067355475.db2.gz QEOYCJNUHDXFJB-UHFFFAOYSA-N 1 0 470.643 4.177 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300006908 1067356587 /nfs/dbraw/zinc/35/65/87/1067356587.db2.gz VLDVEBAWVCVGMF-RTBURBONSA-N 1 0 486.064 4.345 20 0 JIADRO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC001200851981 1067357236 /nfs/dbraw/zinc/35/72/36/1067357236.db2.gz RFUUNFPCNPHGFQ-RTBURBONSA-N 1 0 450.649 4.024 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793698 1067365968 /nfs/dbraw/zinc/36/59/68/1067365968.db2.gz ALNYVCXRXIDEFU-PGRDOPGGSA-N 1 0 494.503 4.006 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300015183 1067372636 /nfs/dbraw/zinc/37/26/36/1067372636.db2.gz MKOJCEGQYARDIP-OYRHEFFESA-N 1 0 495.672 4.052 20 0 JIADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001352421636 1067384210 /nfs/dbraw/zinc/38/42/10/1067384210.db2.gz GGGXZBRSDBMOLO-FGZHOGPDSA-N 1 0 462.619 4.018 20 0 JIADRO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001355178743 1067385451 /nfs/dbraw/zinc/38/54/51/1067385451.db2.gz JWDMDBGRBAEPHA-COFKYPDJSA-N 1 0 470.617 4.142 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300021767 1067386241 /nfs/dbraw/zinc/38/62/41/1067386241.db2.gz JVOGASNKASDDSB-FQEVSTJZSA-N 1 0 485.673 4.070 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001492581956 1067388747 /nfs/dbraw/zinc/38/87/47/1067388747.db2.gz UHNGBGNRUKWMEZ-HXUWFJFHSA-N 1 0 465.564 4.416 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001355219736 1067390963 /nfs/dbraw/zinc/39/09/63/1067390963.db2.gz TWBTVCNHJWCINM-JYRVWZFOSA-N 1 0 457.615 4.031 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001300026637 1067398830 /nfs/dbraw/zinc/39/88/30/1067398830.db2.gz ZZPCBJMXCHHSDH-GGUMNFRJSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300028866 1067408807 /nfs/dbraw/zinc/40/88/07/1067408807.db2.gz DINXNOVKVGQNJD-HSZRJFAPSA-N 1 0 498.716 4.108 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300028933 1067409485 /nfs/dbraw/zinc/40/94/85/1067409485.db2.gz FPDKEBTYIWIDBM-OAQYLSRUSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001300032996 1067429477 /nfs/dbraw/zinc/42/94/77/1067429477.db2.gz KHRVBPRIFPAVNN-DLBZAZTESA-N 1 0 494.503 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001300033315 1067431871 /nfs/dbraw/zinc/43/18/71/1067431871.db2.gz MTYOAKXPFNDRBP-UHFFFAOYSA-N 1 0 478.435 4.182 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001300035818 1067442849 /nfs/dbraw/zinc/44/28/49/1067442849.db2.gz FGNVKBBOZINACN-KHYOSLBOSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300036039 1067443850 /nfs/dbraw/zinc/44/38/50/1067443850.db2.gz JFZKHPJDROBVPX-MSOLQXFVSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300037560 1067448799 /nfs/dbraw/zinc/44/87/99/1067448799.db2.gz AYJHLRKCRDOSML-HSZRJFAPSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300038051 1067450447 /nfs/dbraw/zinc/45/04/47/1067450447.db2.gz KJFHYJQOBYEXNG-QFIPXVFZSA-N 1 0 465.646 4.190 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCCN2CCCCCC2=O)cc1 ZINC001300040003 1067457057 /nfs/dbraw/zinc/45/70/57/1067457057.db2.gz AAABXMDWZRNCFF-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2C[C@H](C)OC)cc1 ZINC001300040228 1067460865 /nfs/dbraw/zinc/46/08/65/1067460865.db2.gz IVHXJNMUXCRJIS-RTWAWAEBSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)c(OC)c1 ZINC001300044298 1067487566 /nfs/dbraw/zinc/48/75/66/1067487566.db2.gz OESZQOPNHLLYPT-UXHICEINSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300048553 1067503359 /nfs/dbraw/zinc/50/33/59/1067503359.db2.gz BJZGBGSLDIGZEN-JTHBVZDNSA-N 1 0 485.673 4.336 20 0 JIADRO CCCCc1nc(-c2cccc(OC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)no1 ZINC001355542853 1067503992 /nfs/dbraw/zinc/50/39/92/1067503992.db2.gz BCOGQDPVTZMFHS-YADHBBJMSA-N 1 0 451.571 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300048581 1067503994 /nfs/dbraw/zinc/50/39/94/1067503994.db2.gz BSOIRMAIUKQTNN-DEOSSOPVSA-N 1 0 498.716 4.108 20 0 JIADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001355568694 1067512339 /nfs/dbraw/zinc/51/23/39/1067512339.db2.gz YCWXWSAZYDVUGX-XMMPIXPASA-N 1 0 458.549 4.484 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001300051144 1067512852 /nfs/dbraw/zinc/51/28/52/1067512852.db2.gz CPDBJZNMBNYRID-HSZRJFAPSA-N 1 0 494.478 4.452 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001300051112 1067512925 /nfs/dbraw/zinc/51/29/25/1067512925.db2.gz XXJQDFGFFWUPHN-HKUYNNGSSA-N 1 0 463.573 4.176 20 0 JIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001355579326 1067516234 /nfs/dbraw/zinc/51/62/34/1067516234.db2.gz DEZNAQDMQVVELL-PMACEKPBSA-N 1 0 452.595 4.294 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300051730 1067517755 /nfs/dbraw/zinc/51/77/55/1067517755.db2.gz OAZOVJKTSKANNQ-QMHKHESXSA-N 1 0 492.462 4.204 20 0 JIADRO O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC001200071377 1067521812 /nfs/dbraw/zinc/52/18/12/1067521812.db2.gz USGHHGYJMBQZLG-QHCPKHFHSA-N 1 0 457.619 4.107 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052900 1067525396 /nfs/dbraw/zinc/52/53/96/1067525396.db2.gz FLSZLFMCWBWJHI-NHCUHLMSSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](c4nc(C)cs4)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001300054273 1067531299 /nfs/dbraw/zinc/53/12/99/1067531299.db2.gz RWJVUDJYLCKNRT-HXUWFJFHSA-N 1 0 454.644 4.443 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492582937 1067535915 /nfs/dbraw/zinc/53/59/15/1067535915.db2.gz YJNDGMALQQLBDD-QFIPXVFZSA-N 1 0 480.701 4.040 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c(OC)c1 ZINC001300057087 1067543426 /nfs/dbraw/zinc/54/34/26/1067543426.db2.gz SENPBRIEBWHJJX-UNMCSNQZSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1OC ZINC001200077333 1067543815 /nfs/dbraw/zinc/54/38/15/1067543815.db2.gz PTMBCXBPLNGSKE-VWLOTQADSA-N 1 0 457.615 4.000 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300058414 1067550266 /nfs/dbraw/zinc/55/02/66/1067550266.db2.gz CPRMWQVAMYLAFN-FQEVSTJZSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001300061663 1067566271 /nfs/dbraw/zinc/56/62/71/1067566271.db2.gz MIAMHWSAKXTQMN-GMAHTHKFSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC001200085537 1067576247 /nfs/dbraw/zinc/57/62/47/1067576247.db2.gz IEYXGPXAOIJMFH-UHFFFAOYSA-N 1 0 481.584 4.394 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3Cc3cccs3)n2C[C@H](C)[NH+](C)C)c(OC)c1 ZINC001300065808 1067579189 /nfs/dbraw/zinc/57/91/89/1067579189.db2.gz VEUAFDGMNCHEAG-ROUUACIJSA-N 1 0 455.628 4.185 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)SC)cc1Br ZINC001300070965 1067592213 /nfs/dbraw/zinc/59/22/13/1067592213.db2.gz PDGZUUNBKQWKQG-MRXNPFEDSA-N 1 0 482.492 4.246 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2(C)CCCS2)c(OC)c1 ZINC001300071295 1067592692 /nfs/dbraw/zinc/59/26/92/1067592692.db2.gz RWPDFAWYXNWDOY-XMMPIXPASA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)cc1 ZINC001300076631 1067603950 /nfs/dbraw/zinc/60/39/50/1067603950.db2.gz VTZAIVLJJSEOAI-AREMUKBSSA-N 1 0 483.682 4.481 20 0 JIADRO COCCOC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001355902338 1067603989 /nfs/dbraw/zinc/60/39/89/1067603989.db2.gz CFDJPWKQFKTRBI-FGZHOGPDSA-N 1 0 480.590 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001300076712 1067604875 /nfs/dbraw/zinc/60/48/75/1067604875.db2.gz XLQSMFWBNRZWQM-RTWAWAEBSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCC(C)(F)F)cc1OC ZINC001300077030 1067605279 /nfs/dbraw/zinc/60/52/79/1067605279.db2.gz WLEXUPVNSMWTFG-UHFFFAOYSA-N 1 0 491.608 4.434 20 0 JIADRO C[N@H+](CCCNC(=O)Cc1ccc(Br)c(Br)c1)Cc1ccccc1 ZINC001355907562 1067605728 /nfs/dbraw/zinc/60/57/28/1067605728.db2.gz UVQFIHKNPNUJIX-UHFFFAOYSA-N 1 0 454.206 4.392 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300076922 1067605888 /nfs/dbraw/zinc/60/58/88/1067605888.db2.gz JJAOGMNLVLUIMJ-GBXCKJPGSA-N 1 0 485.673 4.334 20 0 JIADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc(OC(F)F)cc1F ZINC001355914269 1067608235 /nfs/dbraw/zinc/60/82/35/1067608235.db2.gz ZBJMMQKULJJSIM-UHFFFAOYSA-N 1 0 456.468 4.397 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300077763 1067608950 /nfs/dbraw/zinc/60/89/50/1067608950.db2.gz ZXPDOIZNWQVPID-NFBKMPQASA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001300077963 1067610493 /nfs/dbraw/zinc/61/04/93/1067610493.db2.gz DFOAQOXBLTUYOO-NFQMXDRXSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300078178 1067611592 /nfs/dbraw/zinc/61/15/92/1067611592.db2.gz GCADLZNJSGJXPL-HHHXNRCGSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300078767 1067613673 /nfs/dbraw/zinc/61/36/73/1067613673.db2.gz LNIDUFPCURHXQO-IBGZPJMESA-N 1 0 459.635 4.085 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC4(C3)CCCCCC4)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300084059 1067624157 /nfs/dbraw/zinc/62/41/57/1067624157.db2.gz SAUDPPKUARGGGE-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300085217 1067626566 /nfs/dbraw/zinc/62/65/66/1067626566.db2.gz OVHFBUMFRHMMCC-RBUKOAKNSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300085240 1067626692 /nfs/dbraw/zinc/62/66/92/1067626692.db2.gz POWRHJUJTGOXNJ-SFHVURJKSA-N 1 0 459.660 4.169 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(Cl)c3ccccc31)CC2 ZINC001200107003 1067632729 /nfs/dbraw/zinc/63/27/29/1067632729.db2.gz CGPGOMUJJOEMKR-FQEVSTJZSA-N 1 0 486.037 4.332 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001356024360 1067637598 /nfs/dbraw/zinc/63/75/98/1067637598.db2.gz KLQMAMKBCRUDHK-IKAXQFJBSA-N 1 0 477.649 4.101 20 0 JIADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001356057655 1067647130 /nfs/dbraw/zinc/64/71/30/1067647130.db2.gz VNXYKXIXZOPEBZ-KRWDZBQOSA-N 1 0 455.400 4.235 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300090909 1067647917 /nfs/dbraw/zinc/64/79/17/1067647917.db2.gz ZOMHOTCEDBRXCU-SJORKVTESA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001300092314 1067650934 /nfs/dbraw/zinc/65/09/34/1067650934.db2.gz PIBWYBIKBOBWAS-OKZBNKHCSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300092313 1067650966 /nfs/dbraw/zinc/65/09/66/1067650966.db2.gz PIBWYBIKBOBWAS-KURKYZTESA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(C2CCN(c3nnc(C(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)cc1 ZINC001300095224 1067657992 /nfs/dbraw/zinc/65/79/92/1067657992.db2.gz BIIUGBQNOUVWDQ-UHFFFAOYSA-N 1 0 468.690 4.068 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300095788 1067659353 /nfs/dbraw/zinc/65/93/53/1067659353.db2.gz YOOLDMMRTJWVDF-MGPUTAFESA-N 1 0 473.419 4.336 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300095790 1067659493 /nfs/dbraw/zinc/65/94/93/1067659493.db2.gz YOOLDMMRTJWVDF-QRWLVFNGSA-N 1 0 473.419 4.336 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300096515 1067660731 /nfs/dbraw/zinc/66/07/31/1067660731.db2.gz KFAZISXHWLCRLS-VWPQPMDRSA-N 1 0 469.674 4.466 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300097401 1067663803 /nfs/dbraw/zinc/66/38/03/1067663803.db2.gz BIVKRXJMCSWIQK-VXKWHMMOSA-N 1 0 457.619 4.219 20 0 JIADRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001352737805 1067666660 /nfs/dbraw/zinc/66/66/60/1067666660.db2.gz MRHDMTXSNHIKQH-UHFFFAOYSA-N 1 0 456.896 4.295 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC001300099577 1067671637 /nfs/dbraw/zinc/67/16/37/1067671637.db2.gz HYQWRUAUXFTYMB-GGAORHGYSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300099701 1067672640 /nfs/dbraw/zinc/67/26/40/1067672640.db2.gz JWJFHUCXQVZUMJ-HXUWFJFHSA-N 1 0 482.698 4.424 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001356150444 1067673599 /nfs/dbraw/zinc/67/35/99/1067673599.db2.gz XKFDERSRDPZVOX-YIXXDRMTSA-N 1 0 465.638 4.291 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cnn(C4CCCCC4)c3C)CC2)c1C ZINC001352780110 1067715779 /nfs/dbraw/zinc/71/57/79/1067715779.db2.gz ISCZDNMEJRHNTH-UHFFFAOYSA-N 1 0 453.631 4.454 20 0 JIADRO CCc1nc(COc2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)cc2)no1 ZINC001356284017 1067716290 /nfs/dbraw/zinc/71/62/90/1067716290.db2.gz WEZRBFASDYGCPG-UHFFFAOYSA-N 1 0 452.580 4.321 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300114063 1067720476 /nfs/dbraw/zinc/72/04/76/1067720476.db2.gz PJZUQGLJGAZCSI-VXKWHMMOSA-N 1 0 469.674 4.340 20 0 JIADRO C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC001200135681 1067726135 /nfs/dbraw/zinc/72/61/35/1067726135.db2.gz FIFAQPUAUQRUJH-INIZCTEOSA-N 1 0 454.468 4.347 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001300118597 1067731262 /nfs/dbraw/zinc/73/12/62/1067731262.db2.gz BVEIXODIVXIJNA-MRXNPFEDSA-N 1 0 464.441 4.454 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@]4(C3)CCCOC4)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300119523 1067734254 /nfs/dbraw/zinc/73/42/54/1067734254.db2.gz HEMMZBABVUKZCV-WNCULLNHSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300120029 1067735322 /nfs/dbraw/zinc/73/53/22/1067735322.db2.gz DIPBKUBRIFMPBV-HOFKKMOUSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001300121053 1067738918 /nfs/dbraw/zinc/73/89/18/1067738918.db2.gz LRBOWGGQNXVZNE-GOSISDBHSA-N 1 0 498.416 4.124 20 0 JIADRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=S)Nc3ccc(C)cc3Br)CC2)C1 ZINC001200142994 1067745060 /nfs/dbraw/zinc/74/50/60/1067745060.db2.gz WBSBGRTYVKSDKH-INIZCTEOSA-N 1 0 468.461 4.194 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001300125121 1067749812 /nfs/dbraw/zinc/74/98/12/1067749812.db2.gz BOXANAFFPNWNNC-UHFFFAOYSA-N 1 0 480.657 4.326 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC4(CCCC4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300126200 1067752667 /nfs/dbraw/zinc/75/26/67/1067752667.db2.gz PJRVJNVJXCMADQ-UHFFFAOYSA-N 1 0 469.674 4.340 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300126240 1067752759 /nfs/dbraw/zinc/75/27/59/1067752759.db2.gz QLGWVSOQGAPDDW-LOSJGSFVSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2csc(C)c2)cc1 ZINC001300127483 1067758753 /nfs/dbraw/zinc/75/87/53/1067758753.db2.gz PYPNVQFNRQIUIF-UHFFFAOYSA-N 1 0 453.656 4.268 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001300127594 1067759195 /nfs/dbraw/zinc/75/91/95/1067759195.db2.gz SZAJYVXZPXCCLM-ISKFKSNPSA-N 1 0 483.701 4.445 20 0 JIADRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc(C(=O)OC)c1 ZINC001352848778 1067764650 /nfs/dbraw/zinc/76/46/50/1067764650.db2.gz SOYZRXLKCNFSRG-FGZHOGPDSA-N 1 0 478.570 4.176 20 0 JIADRO C[C@H]1C[C@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503064 1067765773 /nfs/dbraw/zinc/76/57/73/1067765773.db2.gz RJCIIIGOSFQNKF-WMZOPIPTSA-N 1 0 454.514 4.011 20 0 JIADRO COc1ccc(CCn2c(C(C)C)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC001300140481 1067789648 /nfs/dbraw/zinc/78/96/48/1067789648.db2.gz PDWXRSIFUCDZJV-LJQANCHMSA-N 1 0 476.463 4.480 20 0 JIADRO COc1ccc(CCn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(OC)c1 ZINC001300141947 1067791855 /nfs/dbraw/zinc/79/18/55/1067791855.db2.gz CLNZNVUYJVNVIV-UHFFFAOYSA-N 1 0 478.641 4.158 20 0 JIADRO COc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC001300142507 1067793328 /nfs/dbraw/zinc/79/33/28/1067793328.db2.gz NLPWJPAVMOOBSE-UHFFFAOYSA-N 1 0 499.457 4.321 20 0 JIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC001356623368 1067793789 /nfs/dbraw/zinc/79/37/89/1067793789.db2.gz JROZPWSQJTZUHR-FQEVSTJZSA-N 1 0 453.587 4.024 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001492584508 1067798556 /nfs/dbraw/zinc/79/85/56/1067798556.db2.gz MHKXQYAOADZCGB-QFIPXVFZSA-N 1 0 457.688 4.010 20 0 JIADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)cc1 ZINC001300145635 1067799539 /nfs/dbraw/zinc/79/95/39/1067799539.db2.gz ZBAMOHRFQFACGL-UHFFFAOYSA-N 1 0 451.592 4.307 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1OC ZINC001357115712 1067806061 /nfs/dbraw/zinc/80/60/61/1067806061.db2.gz FMPJBMAXJCBRND-UHFFFAOYSA-N 1 0 455.452 4.177 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c2ccc(Br)cc2n1 ZINC001357140110 1067809393 /nfs/dbraw/zinc/80/93/93/1067809393.db2.gz HCKQVZIXSTXXCY-KRWDZBQOSA-N 1 0 454.372 4.093 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001300172495 1067831948 /nfs/dbraw/zinc/83/19/48/1067831948.db2.gz JJGHVQCLBNQYLH-JOCHJYFZSA-N 1 0 457.663 4.177 20 0 JIADRO O=C(CCCCc1ccc(I)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001357305742 1067832649 /nfs/dbraw/zinc/83/26/49/1067832649.db2.gz GRSBVVILVFFSJY-UHFFFAOYSA-N 1 0 454.396 4.481 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC001300176002 1067835179 /nfs/dbraw/zinc/83/51/79/1067835179.db2.gz GJNWFMYINZZZHJ-OYRHEFFESA-N 1 0 480.632 4.416 20 0 JIADRO C[C@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)CN1CC[NH+](C)CC1 ZINC001200203957 1067839370 /nfs/dbraw/zinc/83/93/70/1067839370.db2.gz LIYFXLUPKRALBI-HXUWFJFHSA-N 1 0 453.631 4.069 20 0 JIADRO CC1CC[NH+](C2CCC(NC(=O)C3(NC(=O)OC(C)(C)C)Cc4ccccc4C3)CC2)CC1 ZINC001357383563 1067842367 /nfs/dbraw/zinc/84/23/67/1067842367.db2.gz ORDPENKOVNSQAY-UHFFFAOYSA-N 1 0 455.643 4.208 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300180293 1067843162 /nfs/dbraw/zinc/84/31/62/1067843162.db2.gz LPINWNNFWNBQFB-QHCPKHFHSA-N 1 0 483.636 4.044 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)C2CC2)cc1 ZINC001300181211 1067844142 /nfs/dbraw/zinc/84/41/42/1067844142.db2.gz AIOOSRUZWUJXRE-UHFFFAOYSA-N 1 0 468.690 4.027 20 0 JIADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357411603 1067845820 /nfs/dbraw/zinc/84/58/20/1067845820.db2.gz SDBAIMCVKCOBFQ-FQEVSTJZSA-N 1 0 457.412 4.136 20 0 JIADRO COc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001300191015 1067853686 /nfs/dbraw/zinc/85/36/86/1067853686.db2.gz LCLXGCQHGZWTSZ-NRFANRHFSA-N 1 0 478.641 4.407 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1OC(F)F ZINC001300194442 1067860697 /nfs/dbraw/zinc/86/06/97/1067860697.db2.gz VVAQYRLALCCHNH-UHFFFAOYSA-N 1 0 475.540 4.425 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001357541902 1067867174 /nfs/dbraw/zinc/86/71/74/1067867174.db2.gz CXCGLAKACVMYKT-KRWDZBQOSA-N 1 0 453.027 4.314 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492557794 1067872675 /nfs/dbraw/zinc/87/26/75/1067872675.db2.gz XKPNETXOGFTYOD-JOCHJYFZSA-N 1 0 469.033 4.295 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC(C)(C)C[NH+](C)C ZINC001492558091 1067874535 /nfs/dbraw/zinc/87/45/35/1067874535.db2.gz JAIUYAYPAWXFRD-UHFFFAOYSA-N 1 0 463.552 4.230 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 ZINC001357603151 1067876114 /nfs/dbraw/zinc/87/61/14/1067876114.db2.gz BWHMPUKBNXWNKT-UHFFFAOYSA-N 1 0 459.550 4.122 20 0 JIADRO COc1cccc(N(CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)OC(C)(C)C)c1 ZINC001300206127 1067878205 /nfs/dbraw/zinc/87/82/05/1067878205.db2.gz DLCRQQPMXGCJPP-SANMLTNESA-N 1 0 453.583 4.218 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630829 1067879594 /nfs/dbraw/zinc/87/95/94/1067879594.db2.gz KKHGGEUZKUSYBI-PXNSSMCTSA-N 1 0 453.384 4.259 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC001300208380 1067880176 /nfs/dbraw/zinc/88/01/76/1067880176.db2.gz QGMPAGMGOHNHGA-NRFANRHFSA-N 1 0 492.462 4.306 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001200236737 1067880462 /nfs/dbraw/zinc/88/04/62/1067880462.db2.gz LBUJSMNMGDXPHC-UHFFFAOYSA-N 1 0 485.492 4.341 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)ccc21 ZINC001357638742 1067881085 /nfs/dbraw/zinc/88/10/85/1067881085.db2.gz TUJLDJKPWFNJJX-FQEVSTJZSA-N 1 0 450.558 4.422 20 0 JIADRO COC(=O)[C@@]1(NC(=S)Nc2c(C)cc(Br)cc2C)CC[N@H+](Cc2ccccc2)C1 ZINC001200239213 1067881738 /nfs/dbraw/zinc/88/17/38/1067881738.db2.gz VLIHSDYORRWXDJ-JOCHJYFZSA-N 1 0 476.440 4.170 20 0 JIADRO COc1ccc(-c2cncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)c2)c(C)c1 ZINC001357644082 1067881830 /nfs/dbraw/zinc/88/18/30/1067881830.db2.gz FSVCHWHVWZRNAW-HXUWFJFHSA-N 1 0 458.562 4.015 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c(OC)c1 ZINC001300213903 1067884267 /nfs/dbraw/zinc/88/42/67/1067884267.db2.gz YRPGJIHQTPLAEW-UHFFFAOYSA-N 1 0 455.647 4.387 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(I)cc3)C[C@@H]21 ZINC001473302222 1067886236 /nfs/dbraw/zinc/88/62/36/1067886236.db2.gz MMUCNDZLNJGCRA-RYQLBKOJSA-N 1 0 456.368 4.416 20 0 JIADRO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357780032 1067898594 /nfs/dbraw/zinc/89/85/94/1067898594.db2.gz JBZGGCYPNFRNEA-GDBMZVCRSA-N 1 0 452.311 4.071 20 0 JIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001357829301 1067915922 /nfs/dbraw/zinc/91/59/22/1067915922.db2.gz XBGOBPPDIZXHBF-UHFFFAOYSA-N 1 0 453.583 4.181 20 0 JIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC001200277517 1067932485 /nfs/dbraw/zinc/93/24/85/1067932485.db2.gz WUPNLDWOOAXPAN-SFHVURJKSA-N 1 0 458.628 4.142 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300237837 1067935206 /nfs/dbraw/zinc/93/52/06/1067935206.db2.gz QDYFPUYLKINNKL-GOSISDBHSA-N 1 0 455.006 4.431 20 0 JIADRO C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@@H](C)O1 ZINC001357903785 1067935888 /nfs/dbraw/zinc/93/58/88/1067935888.db2.gz ACGAHPHUKRBFMW-NHCUHLMSSA-N 1 0 450.627 4.079 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001300238237 1067939092 /nfs/dbraw/zinc/93/90/92/1067939092.db2.gz CQGAMJOCSDSTKF-UHFFFAOYSA-N 1 0 469.033 4.438 20 0 JIADRO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960732 1067960112 /nfs/dbraw/zinc/96/01/12/1067960112.db2.gz YLBTZJUMEQCNBF-DHLKQENFSA-N 1 0 457.565 4.435 20 0 JIADRO Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC001358033964 1067996914 /nfs/dbraw/zinc/99/69/14/1067996914.db2.gz DEPQDPDBSQXWAM-UUOWRZLLSA-N 1 0 457.981 4.189 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001300250511 1067999477 /nfs/dbraw/zinc/99/94/77/1067999477.db2.gz AUFMBYVNOWXRED-DNVJHFABSA-N 1 0 498.716 4.047 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492561567 1068003088 /nfs/dbraw/zinc/00/30/88/1068003088.db2.gz JMEYHVOIMFCHIG-FUDKSRODSA-N 1 0 482.673 4.476 20 0 JIADRO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062511 1068005934 /nfs/dbraw/zinc/00/59/34/1068005934.db2.gz MAESBBWAMATGCK-ISKFKSNPSA-N 1 0 452.668 4.012 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cnn1-c1cccc(C)c1 ZINC001358071893 1068009304 /nfs/dbraw/zinc/00/93/04/1068009304.db2.gz DACSEXYXLHIKIF-NRFANRHFSA-N 1 0 459.594 4.083 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC001358076657 1068011688 /nfs/dbraw/zinc/01/16/88/1068011688.db2.gz CBKXPIJGVDRTAV-QGZVFWFLSA-N 1 0 455.965 4.298 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)CC1 ZINC001358076852 1068011778 /nfs/dbraw/zinc/01/17/78/1068011778.db2.gz FVFHSGJDMTVQJS-PMACEKPBSA-N 1 0 453.606 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cc2ccc(Br)s2)CC1 ZINC001358076897 1068011841 /nfs/dbraw/zinc/01/18/41/1068011841.db2.gz HARBOUUDLSFHHV-CQSZACIVSA-N 1 0 454.409 4.212 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2cccc3oc(C)nc32)cc1OC ZINC001358085800 1068016075 /nfs/dbraw/zinc/01/60/75/1068016075.db2.gz MTTIALUJYOGMKC-UHFFFAOYSA-N 1 0 458.946 4.122 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 ZINC001353327594 1068028595 /nfs/dbraw/zinc/02/85/95/1068028595.db2.gz RRSCMRFGIOUHJW-UHFFFAOYSA-N 1 0 453.564 4.110 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 ZINC001358145473 1068030376 /nfs/dbraw/zinc/03/03/76/1068030376.db2.gz VMRMIUHNZZDSTJ-NRFANRHFSA-N 1 0 458.400 4.421 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300263980 1068032078 /nfs/dbraw/zinc/03/20/78/1068032078.db2.gz CDWLHFJZOIEYFU-YTFSRNRJSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300265547 1068036249 /nfs/dbraw/zinc/03/62/49/1068036249.db2.gz YKKKYVLVNBLPQA-UHFFFAOYSA-N 1 0 461.676 4.175 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001492563908 1068047084 /nfs/dbraw/zinc/04/70/84/1068047084.db2.gz QDCISULIVPIZDS-XMMPIXPASA-N 1 0 466.674 4.246 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492563907 1068047247 /nfs/dbraw/zinc/04/72/47/1068047247.db2.gz QDCISULIVPIZDS-DEOSSOPVSA-N 1 0 466.674 4.246 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300271853 1068053418 /nfs/dbraw/zinc/05/34/18/1068053418.db2.gz MUIYVFQUOWCWAG-ZJSXRUAMSA-N 1 0 485.673 4.095 20 0 JIADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001358288837 1068061210 /nfs/dbraw/zinc/06/12/10/1068061210.db2.gz ZKGUVCIJEDBRGF-KRWDZBQOSA-N 1 0 455.400 4.235 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)ccc1OC ZINC001358314203 1068064613 /nfs/dbraw/zinc/06/46/13/1068064613.db2.gz LONAJXMCDPVBIV-UHFFFAOYSA-N 1 0 453.583 4.294 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001492564554 1068067174 /nfs/dbraw/zinc/06/71/74/1068067174.db2.gz LFVXWKINRAMQQJ-UHFFFAOYSA-N 1 0 481.689 4.147 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280112 1068069618 /nfs/dbraw/zinc/06/96/18/1068069618.db2.gz BRCREJXSSYLJIS-KNQAVFIVSA-N 1 0 473.687 4.318 20 0 JIADRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001473366396 1068072313 /nfs/dbraw/zinc/07/23/13/1068072313.db2.gz SPJGKRLZHBYVGM-ICSRJNTNSA-N 1 0 457.640 4.411 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492565608 1068081588 /nfs/dbraw/zinc/08/15/88/1068081588.db2.gz HCOKCKNLJZDJFR-RBBKRZOGSA-N 1 0 468.646 4.087 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300284701 1068081654 /nfs/dbraw/zinc/08/16/54/1068081654.db2.gz LFJKTPDUTIWQSF-ZFGGDYGUSA-N 1 0 485.673 4.378 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001358439112 1068091572 /nfs/dbraw/zinc/09/15/72/1068091572.db2.gz RACCJXCIGXXNBW-LARUCZGFSA-N 1 0 457.618 4.160 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001300294162 1068107911 /nfs/dbraw/zinc/10/79/11/1068107911.db2.gz DNYWXTFSHCOJHH-UHFFFAOYSA-N 1 0 467.536 4.129 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000510633000 1068174691 /nfs/dbraw/zinc/17/46/91/1068174691.db2.gz YLJLPSGFLGBJJU-UHFFFAOYSA-N 1 0 450.362 4.156 20 0 JIADRO Cc1cc(C)n2nc(NC(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000510640371 1068175139 /nfs/dbraw/zinc/17/51/39/1068175139.db2.gz ZTHKUSNHNOPMIT-UHFFFAOYSA-N 1 0 462.385 4.178 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)cnn1C1CCCC1 ZINC001353483581 1068191909 /nfs/dbraw/zinc/19/19/09/1068191909.db2.gz NETVTDGDOVAJNN-UHFFFAOYSA-N 1 0 452.603 4.419 20 0 JIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498643504 1068203518 /nfs/dbraw/zinc/20/35/18/1068203518.db2.gz LHNJESYXCQBRPZ-UHFFFAOYSA-N 1 0 479.584 4.390 20 0 JIADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC001473543985 1068232085 /nfs/dbraw/zinc/23/20/85/1068232085.db2.gz JPJUMZMGDWIUSZ-SANMLTNESA-N 1 0 458.549 4.383 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001473549623 1068243370 /nfs/dbraw/zinc/24/33/70/1068243370.db2.gz HUSDIXHYSNIBJI-QPPBQGQZSA-N 1 0 452.599 4.428 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC001300323456 1068245073 /nfs/dbraw/zinc/24/50/73/1068245073.db2.gz SKSICBIAGFBXMB-BGYRXZFFSA-N 1 0 469.674 4.326 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000515232426 1068262529 /nfs/dbraw/zinc/26/25/29/1068262529.db2.gz GBOJBGNOMWNJBW-UHFFFAOYSA-N 1 0 450.612 4.237 20 0 JIADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc4sc(Nc5ccccc5)nc4s3)ccn2)CC1 ZINC000515789565 1068269849 /nfs/dbraw/zinc/26/98/49/1068269849.db2.gz YLGLRRCTAGGXID-UHFFFAOYSA-N 1 0 464.620 4.178 20 0 JIADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1 ZINC001473818407 1068283798 /nfs/dbraw/zinc/28/37/98/1068283798.db2.gz WWYOBZQUTVRHSO-OAQYLSRUSA-N 1 0 456.608 4.025 20 0 JIADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1 ZINC001473818406 1068284180 /nfs/dbraw/zinc/28/41/80/1068284180.db2.gz WWYOBZQUTVRHSO-NRFANRHFSA-N 1 0 456.608 4.025 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCCC2)c1 ZINC001300334379 1068301088 /nfs/dbraw/zinc/30/10/88/1068301088.db2.gz GZEOYWJFLQOTLC-XMMPIXPASA-N 1 0 478.641 4.437 20 0 JIADRO C[N@H+](CCCNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)Cc1ccccc1 ZINC001353537861 1068302879 /nfs/dbraw/zinc/30/28/79/1068302879.db2.gz BVULMMVIMASBPO-PTGBLXJZSA-N 1 0 458.591 4.038 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccsc2)[NH+](C)C)c1 ZINC001300335144 1068305516 /nfs/dbraw/zinc/30/55/16/1068305516.db2.gz MSPCGORCCHQMIB-JOCHJYFZSA-N 1 0 450.612 4.293 20 0 JIADRO COc1cccc([C@@H](CNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)[NH+]2CCCC2)c1 ZINC000518683231 1068309748 /nfs/dbraw/zinc/30/97/48/1068309748.db2.gz NDXDLMYVLUKCSZ-OAQYLSRUSA-N 1 0 451.596 4.405 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)cc2s1 ZINC000519190789 1068315441 /nfs/dbraw/zinc/31/54/41/1068315441.db2.gz NRDCYIDBBJGMTI-UHFFFAOYSA-N 1 0 494.646 4.187 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300338327 1068316340 /nfs/dbraw/zinc/31/63/40/1068316340.db2.gz BHOZNULCJKTLAZ-AVRDEDQJSA-N 1 0 494.606 4.320 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300338675 1068317084 /nfs/dbraw/zinc/31/70/84/1068317084.db2.gz DAMBMPBLTHNFNR-YADARESESA-N 1 0 479.673 4.324 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)[NH+](C)C)c1 ZINC001300338943 1068317939 /nfs/dbraw/zinc/31/79/39/1068317939.db2.gz FNWGOFOPRAMNPS-LADGPHEKSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300339763 1068320140 /nfs/dbraw/zinc/32/01/40/1068320140.db2.gz IVWSRDSVYNSJMZ-IPJJNNNSSA-N 1 0 496.681 4.063 20 0 JIADRO C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165591 1068320746 /nfs/dbraw/zinc/32/07/46/1068320746.db2.gz OYKANGMVVQOKPE-GHTZIAJQSA-N 1 0 467.664 4.064 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)[NH+]2CCCC2)cc1 ZINC000520856327 1068328522 /nfs/dbraw/zinc/32/85/22/1068328522.db2.gz AZVYXZCMALRLOQ-NRFANRHFSA-N 1 0 451.596 4.405 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC(Cn3cc(C)cn3)CC2)[NH+](C)C)c1 ZINC001300343102 1068334455 /nfs/dbraw/zinc/33/44/55/1068334455.db2.gz ZOQLDCZBRHZQAT-VWLOTQADSA-N 1 0 479.673 4.210 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)n1 ZINC000522271815 1068339428 /nfs/dbraw/zinc/33/94/28/1068339428.db2.gz VKVQGWZDJSSBMS-UHFFFAOYSA-N 1 0 461.397 4.458 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)n1 ZINC000523069989 1068342811 /nfs/dbraw/zinc/34/28/11/1068342811.db2.gz ZIXGRJDAIKLWGZ-UHFFFAOYSA-N 1 0 457.365 4.407 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nnc(NC4CCCCC4)s3)CC2)cc1 ZINC000524514368 1068352874 /nfs/dbraw/zinc/35/28/74/1068352874.db2.gz MAERILXXUKMKIP-UHFFFAOYSA-N 1 0 459.685 4.418 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(Cl)ccc1I ZINC001353592640 1068357855 /nfs/dbraw/zinc/35/78/55/1068357855.db2.gz HYTXZPXQOXWKAO-UHFFFAOYSA-N 1 0 456.755 4.191 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300359478 1068383024 /nfs/dbraw/zinc/38/30/24/1068383024.db2.gz APMBQVCEHYSTBC-JOCHJYFZSA-N 1 0 496.700 4.159 20 0 JIADRO Cc1cccc(C(C)C)c1NC(=S)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001200398967 1068384785 /nfs/dbraw/zinc/38/47/85/1068384785.db2.gz AANWKAJLJPBRSD-NDEPHWFRSA-N 1 0 491.705 4.315 20 0 JIADRO COc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001300360914 1068388632 /nfs/dbraw/zinc/38/86/32/1068388632.db2.gz SOXRIFBWPVLEMP-NRFANRHFSA-N 1 0 467.561 4.090 20 0 JIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001353636667 1068388772 /nfs/dbraw/zinc/38/87/72/1068388772.db2.gz JQWIEHYQFWPURR-RXFWQSSRSA-N 1 0 453.558 4.079 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001300362685 1068393203 /nfs/dbraw/zinc/39/32/03/1068393203.db2.gz RMKOIWFZVMSKAH-UHFFFAOYSA-N 1 0 498.672 4.323 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001300362726 1068393725 /nfs/dbraw/zinc/39/37/25/1068393725.db2.gz SBUBRVGIBRYJPC-HSZRJFAPSA-N 1 0 495.590 4.358 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCC[NH+]4CCOCC4)CC3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300367412 1068406970 /nfs/dbraw/zinc/40/69/70/1068406970.db2.gz NTACSXAMXWWAKO-VWLOTQADSA-N 1 0 499.700 4.344 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300369289 1068415477 /nfs/dbraw/zinc/41/54/77/1068415477.db2.gz BVDZXYGIYSGXCT-VXKWHMMOSA-N 1 0 496.700 4.159 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(Cn4cc(C)cn4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300369710 1068417771 /nfs/dbraw/zinc/41/77/71/1068417771.db2.gz JNMBBIQBFQQQGR-UHFFFAOYSA-N 1 0 479.673 4.494 20 0 JIADRO C[NH+](C)CCCOc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2Br)c1 ZINC001353670542 1068421822 /nfs/dbraw/zinc/42/18/22/1068421822.db2.gz JXNXAPICZOMKBV-UHFFFAOYSA-N 1 0 457.372 4.277 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300374118 1068437767 /nfs/dbraw/zinc/43/77/67/1068437767.db2.gz DCRJPSKTSHGDJN-OALUTQOASA-N 1 0 495.590 4.215 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1ccccc1 ZINC001353683328 1068451773 /nfs/dbraw/zinc/45/17/73/1068451773.db2.gz BBZCMMFVTOPYFQ-REHUZNOOSA-N 1 0 457.640 4.375 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001300377805 1068457673 /nfs/dbraw/zinc/45/76/73/1068457673.db2.gz LXUCIKZDTRQMTD-NHCUHLMSSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(F)(F)Br)c1 ZINC001300384726 1068479193 /nfs/dbraw/zinc/47/91/93/1068479193.db2.gz JHDDZSUXWIYZJH-UHFFFAOYSA-N 1 0 484.389 4.396 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200424008 1068489066 /nfs/dbraw/zinc/48/90/66/1068489066.db2.gz VIJGWTYGLFRPAA-QGZVFWFLSA-N 1 0 478.625 4.143 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2Cc2ccsc2)c1 ZINC001300389070 1068499416 /nfs/dbraw/zinc/49/94/16/1068499416.db2.gz MMVNQAVZJZIMFP-UHFFFAOYSA-N 1 0 495.571 4.155 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300394405 1068522885 /nfs/dbraw/zinc/52/28/85/1068522885.db2.gz FZDWHPRFIRXRBQ-QFIPXVFZSA-N 1 0 497.644 4.157 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001300399619 1068550587 /nfs/dbraw/zinc/55/05/87/1068550587.db2.gz HWEOOQUMMQBGTR-HSZRJFAPSA-N 1 0 468.646 4.031 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC001353754528 1068552639 /nfs/dbraw/zinc/55/26/39/1068552639.db2.gz WLCHEIKCYRVSPW-ZJSXRUAMSA-N 1 0 457.640 4.106 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(C[C@H](NC(=S)NCC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC001200443143 1068564131 /nfs/dbraw/zinc/56/41/31/1068564131.db2.gz SPBYSHODENEXRX-QFIPXVFZSA-N 1 0 472.699 4.350 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@H](C)C3)CCO2)c1 ZINC001300406563 1068573043 /nfs/dbraw/zinc/57/30/43/1068573043.db2.gz FPCQNXUOEMBPST-AMZDPNTKSA-N 1 0 455.647 4.499 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300417933 1068619876 /nfs/dbraw/zinc/61/98/76/1068619876.db2.gz OTLMSKOJTYTMEU-JTHBVZDNSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Br)cc(C(F)(F)F)c3)C2=O)cc1 ZINC001200499332 1068756564 /nfs/dbraw/zinc/75/65/64/1068756564.db2.gz GFGGAFWNYRQYOW-GOSISDBHSA-N 1 0 457.290 4.367 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001300453039 1068764338 /nfs/dbraw/zinc/76/43/38/1068764338.db2.gz ZPDQTYDDWMENNB-AFMDSPMNSA-N 1 0 471.646 4.162 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300462983 1068800870 /nfs/dbraw/zinc/80/08/70/1068800870.db2.gz BFAXSFPCRZIYSO-GMAHTHKFSA-N 1 0 468.690 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300470243 1068810975 /nfs/dbraw/zinc/81/09/75/1068810975.db2.gz RITWPKXWWKBSQH-GOSISDBHSA-N 1 0 472.037 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(Cc2cccs2)C(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300474569 1068821320 /nfs/dbraw/zinc/82/13/20/1068821320.db2.gz ZYGDNUIPDSNJQS-UHFFFAOYSA-N 1 0 482.698 4.456 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300478941 1068830987 /nfs/dbraw/zinc/83/09/87/1068830987.db2.gz NKAGFWUYHHAMLT-CUWPLCDZSA-N 1 0 481.563 4.230 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCSC(F)(F)F ZINC001492567292 1068832171 /nfs/dbraw/zinc/83/21/71/1068832171.db2.gz BNTNTZKBJONNAW-GOSISDBHSA-N 1 0 469.577 4.055 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001492568020 1068839911 /nfs/dbraw/zinc/83/99/11/1068839911.db2.gz JYOPFCBBFVLYHO-LJQANCHMSA-N 1 0 464.580 4.201 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300484865 1068842537 /nfs/dbraw/zinc/84/25/37/1068842537.db2.gz WKQDVJONPGIDQM-QGZVFWFLSA-N 1 0 479.547 4.033 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492568233 1068842703 /nfs/dbraw/zinc/84/27/03/1068842703.db2.gz MFQUNEUIRAHTSF-RTWAWAEBSA-N 1 0 468.646 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300485520 1068844535 /nfs/dbraw/zinc/84/45/35/1068844535.db2.gz YQOIIQFJPIWWPV-NHZRIVAWSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300492189 1068857871 /nfs/dbraw/zinc/85/78/71/1068857871.db2.gz QMOBFHAKIMSPEB-KRWDZBQOSA-N 1 0 480.440 4.090 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300494646 1068862781 /nfs/dbraw/zinc/86/27/81/1068862781.db2.gz SHMOOPDVJOLJAF-BGYRXZFFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCOC(C)C ZINC001300495314 1068863783 /nfs/dbraw/zinc/86/37/83/1068863783.db2.gz BEBJZJNNUABFPR-JOCHJYFZSA-N 1 0 455.647 4.471 20 0 JIADRO COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001200548549 1068868429 /nfs/dbraw/zinc/86/84/29/1068868429.db2.gz GFSGNTZFHRMICC-VWNXMTODSA-N 1 0 450.583 4.403 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1ccc(F)cc1OCC(F)(F)F ZINC001200559880 1068891191 /nfs/dbraw/zinc/89/11/91/1068891191.db2.gz WSKUGQGQFBUOHZ-UHFFFAOYSA-N 1 0 455.452 4.045 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300513770 1068894903 /nfs/dbraw/zinc/89/49/03/1068894903.db2.gz PXLWVNFCQFHRFX-ZCNNSNEGSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001300524025 1068922340 /nfs/dbraw/zinc/92/23/40/1068922340.db2.gz GDRHGBHKORGTCS-LJQANCHMSA-N 1 0 499.059 4.180 20 0 JIADRO Cc1ccccc1COc1cccc(CC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001354141709 1068928831 /nfs/dbraw/zinc/92/88/31/1068928831.db2.gz RECSYPDRJABJJY-XMMPIXPASA-N 1 0 457.618 4.443 20 0 JIADRO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529006 1068935940 /nfs/dbraw/zinc/93/59/40/1068935940.db2.gz LIKJFCHWJMEKJD-GGAORHGYSA-N 1 0 456.533 4.167 20 0 JIADRO C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001354157319 1068937840 /nfs/dbraw/zinc/93/78/40/1068937840.db2.gz RJLNSIGJRUYQAR-NEKDWFFYSA-N 1 0 457.618 4.338 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300534578 1068952063 /nfs/dbraw/zinc/95/20/63/1068952063.db2.gz GDPQXIQXHZKRPS-SZPZYZBQSA-N 1 0 462.642 4.277 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[NH+]1CCC(C)CC1 ZINC001300535552 1068954564 /nfs/dbraw/zinc/95/45/64/1068954564.db2.gz LAFRYVMEJWZCLV-UHFFFAOYSA-N 1 0 477.657 4.159 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300536605 1068957767 /nfs/dbraw/zinc/95/77/67/1068957767.db2.gz RDCOTDTTWYMYQP-OALUTQOASA-N 1 0 496.656 4.007 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H](C)[NH+](C)C ZINC001300536800 1068958370 /nfs/dbraw/zinc/95/83/70/1068958370.db2.gz UZVGPWAAZMLRDS-OAHLLOKOSA-N 1 0 478.460 4.288 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300536988 1068959302 /nfs/dbraw/zinc/95/93/02/1068959302.db2.gz YBXHPZOYLAXOQW-OAQYLSRUSA-N 1 0 462.642 4.419 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000849205702 1068963264 /nfs/dbraw/zinc/96/32/64/1068963264.db2.gz PUQYECRWGOAZCG-JJIBRWJFSA-N 1 0 488.979 4.365 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300539743 1068967606 /nfs/dbraw/zinc/96/76/06/1068967606.db2.gz MKGGNEJPDWCLDD-RUZDIDTESA-N 1 0 457.688 4.331 20 0 JIADRO C[C@@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC001354196834 1068967718 /nfs/dbraw/zinc/96/77/18/1068967718.db2.gz SPBBRCOHRWHBCF-NEPJUHHUSA-N 1 0 454.274 4.303 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492569343 1068970025 /nfs/dbraw/zinc/97/00/25/1068970025.db2.gz UGQMMEWFYILJAC-LJQANCHMSA-N 1 0 464.580 4.201 20 0 JIADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C2)c1 ZINC001354209790 1068980657 /nfs/dbraw/zinc/98/06/57/1068980657.db2.gz KTOVXJKKQSKCIJ-ZFGGDYGUSA-N 1 0 453.652 4.416 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300548326 1068991762 /nfs/dbraw/zinc/99/17/62/1068991762.db2.gz ZDVPEFNCORGEFW-PMACEKPBSA-N 1 0 471.646 4.076 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300549042 1068994199 /nfs/dbraw/zinc/99/41/99/1068994199.db2.gz QOYZGZHMXJKGPO-PCCBWWKXSA-N 1 0 457.688 4.328 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(c3ccccn3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001492586307 1069001985 /nfs/dbraw/zinc/00/19/85/1069001985.db2.gz CNMGLCDJZUHSDA-UHFFFAOYSA-N 1 0 461.658 4.018 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492586428 1069003289 /nfs/dbraw/zinc/00/32/89/1069003289.db2.gz HEBHSGXEQNOWOF-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001492586595 1069004428 /nfs/dbraw/zinc/00/44/28/1069004428.db2.gz NDWGWMSLCFLJJO-UHFFFAOYSA-N 1 0 470.662 4.013 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492571765 1069019890 /nfs/dbraw/zinc/01/98/90/1069019890.db2.gz JCEKTHQOKKCEOQ-SVFBPWRDSA-N 1 0 465.564 4.389 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCCOC(C)C ZINC001492587327 1069021866 /nfs/dbraw/zinc/02/18/66/1069021866.db2.gz MONRGJVPODDELE-QHCPKHFHSA-N 1 0 469.674 4.072 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492587377 1069024382 /nfs/dbraw/zinc/02/43/82/1069024382.db2.gz NWBRNJVAIHUUGP-PSWAGMNNSA-N 1 0 494.728 4.240 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001300562690 1069037952 /nfs/dbraw/zinc/03/79/52/1069037952.db2.gz LBHXEZFADQFEQB-VWNXMTODSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300563531 1069041306 /nfs/dbraw/zinc/04/13/06/1069041306.db2.gz RDZJXHLFKIFHJY-PZJWPPBQSA-N 1 0 495.590 4.157 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300564457 1069047118 /nfs/dbraw/zinc/04/71/18/1069047118.db2.gz QRUIYANHEFPYRS-NRFANRHFSA-N 1 0 488.474 4.487 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487876 1069053926 /nfs/dbraw/zinc/05/39/26/1069053926.db2.gz ATRHZMPKXVDHCW-OALUTQOASA-N 1 0 463.529 4.160 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001300566892 1069059660 /nfs/dbraw/zinc/05/96/60/1069059660.db2.gz GDJZYBBJXCSANT-DHLKQENFSA-N 1 0 469.674 4.249 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492930 1069061388 /nfs/dbraw/zinc/06/13/88/1069061388.db2.gz HFWYDLPNIHYDCM-OALUTQOASA-N 1 0 463.529 4.160 20 0 JIADRO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849493236 1069061746 /nfs/dbraw/zinc/06/17/46/1069061746.db2.gz ITGWQUKVIWLGCX-RZDWPUGNSA-N 1 0 473.621 4.204 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495393 1069065794 /nfs/dbraw/zinc/06/57/94/1069065794.db2.gz CKKGXWQULIXXTD-FYYLOGMGSA-N 1 0 498.096 4.182 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849495352 1069066014 /nfs/dbraw/zinc/06/60/14/1069066014.db2.gz BUUGWMBCZCKMFS-SFTDATJTSA-N 1 0 461.448 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849495562 1069066916 /nfs/dbraw/zinc/06/69/16/1069066916.db2.gz DAWWJIGPOXKCMH-FCHUYYIVSA-N 1 0 459.432 4.188 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@H](c2cnn(C)c2)C1 ZINC000849495804 1069068545 /nfs/dbraw/zinc/06/85/45/1069068545.db2.gz FLQKQIKAXSSOLI-PNKHAZJDSA-N 1 0 468.486 4.260 20 0 JIADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849498928 1069069620 /nfs/dbraw/zinc/06/96/20/1069069620.db2.gz VDRDTIIIRJMKMZ-UXHICEINSA-N 1 0 465.411 4.184 20 0 JIADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849498936 1069070528 /nfs/dbraw/zinc/07/05/28/1069070528.db2.gz VDRDTIIIRJMKMZ-WOJBJXKFSA-N 1 0 465.411 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849500425 1069072043 /nfs/dbraw/zinc/07/20/43/1069072043.db2.gz PNOJXMLCZYNHSW-LZYPDUGYSA-N 1 0 473.621 4.364 20 0 JIADRO CCCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849502808 1069076748 /nfs/dbraw/zinc/07/67/48/1069076748.db2.gz SSOKKXCPAWQCCY-WWPVKYPJSA-N 1 0 456.631 4.299 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC(C)C ZINC001300571740 1069081145 /nfs/dbraw/zinc/08/11/45/1069081145.db2.gz DCGWNNYFCDEYQN-UHFFFAOYSA-N 1 0 482.717 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849505755 1069087219 /nfs/dbraw/zinc/08/72/19/1069087219.db2.gz JKLWGWQVDDWFQU-ACRUOGEOSA-N 1 0 461.006 4.084 20 0 JIADRO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cc(C(F)(F)F)ccc2S1 ZINC000849506589 1069088004 /nfs/dbraw/zinc/08/80/04/1069088004.db2.gz WYWUDKRDYTYMQM-OLMNPRSZSA-N 1 0 452.546 4.392 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001492574924 1069088844 /nfs/dbraw/zinc/08/88/44/1069088844.db2.gz CTGMOXLNCBCVHV-QHCPKHFHSA-N 1 0 494.728 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849508027 1069089935 /nfs/dbraw/zinc/08/99/35/1069089935.db2.gz UUFJNFKVBHCVES-FCHUYYIVSA-N 1 0 466.605 4.495 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509633 1069092346 /nfs/dbraw/zinc/09/23/46/1069092346.db2.gz MCUPZYNDFOIPJP-VXKWHMMOSA-N 1 0 474.584 4.479 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513176 1069096858 /nfs/dbraw/zinc/09/68/58/1069096858.db2.gz AOLXCRBHSKYGII-BJKOFHAPSA-N 1 0 462.642 4.415 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513218 1069097054 /nfs/dbraw/zinc/09/70/54/1069097054.db2.gz QYDJTHUOBYWPFQ-DNQXCXABSA-N 1 0 456.594 4.271 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513179 1069097346 /nfs/dbraw/zinc/09/73/46/1069097346.db2.gz AOLXCRBHSKYGII-RPWUZVMVSA-N 1 0 462.642 4.415 20 0 JIADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC001300575971 1069098723 /nfs/dbraw/zinc/09/87/23/1069098723.db2.gz QDXIPDMXXJRTRS-DQEYMECFSA-N 1 0 481.637 4.322 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000849515008 1069099049 /nfs/dbraw/zinc/09/90/49/1069099049.db2.gz KHTOCGRIXYUKIV-RTWAWAEBSA-N 1 0 466.548 4.356 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849515114 1069100056 /nfs/dbraw/zinc/10/00/56/1069100056.db2.gz FFRHSCMDKIALBC-RTBURBONSA-N 1 0 475.424 4.424 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300577221 1069102744 /nfs/dbraw/zinc/10/27/44/1069102744.db2.gz RLINAOVOYKTNCO-QFIPXVFZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849516602 1069103206 /nfs/dbraw/zinc/10/32/06/1069103206.db2.gz KUSYIKRKPNSURO-UXHICEINSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516673 1069104500 /nfs/dbraw/zinc/10/45/00/1069104500.db2.gz LURGGZKJGWYBKW-DHIUTWEWSA-N 1 0 456.594 4.426 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518291 1069105248 /nfs/dbraw/zinc/10/52/48/1069105248.db2.gz GNDFPMIJOOYJNF-VMPREFPWSA-N 1 0 496.659 4.462 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001300577962 1069105705 /nfs/dbraw/zinc/10/57/05/1069105705.db2.gz DOXBTSDUWGUNFL-UYAOXDASSA-N 1 0 465.564 4.388 20 0 JIADRO COc1ccccc1-c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517871 1069106602 /nfs/dbraw/zinc/10/66/02/1069106602.db2.gz PMOJTXORLKZMIF-UPVQGACJSA-N 1 0 484.604 4.264 20 0 JIADRO COc1ccccc1-c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517870 1069107092 /nfs/dbraw/zinc/10/70/92/1069107092.db2.gz PMOJTXORLKZMIF-LADGPHEKSA-N 1 0 484.604 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518816 1069109234 /nfs/dbraw/zinc/10/92/34/1069109234.db2.gz HMNUVKLNCACKFE-VXKWHMMOSA-N 1 0 452.580 4.153 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520447 1069110943 /nfs/dbraw/zinc/11/09/43/1069110943.db2.gz ZLPOUAKZCIMPIE-RBUKOAKNSA-N 1 0 474.531 4.386 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520076 1069111616 /nfs/dbraw/zinc/11/16/16/1069111616.db2.gz XPMGDMQGAJHJAZ-SCTDOJESSA-N 1 0 492.067 4.043 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519813 1069112029 /nfs/dbraw/zinc/11/20/29/1069112029.db2.gz UAZFQMWDERPAEC-KAYWLYCHSA-N 1 0 499.659 4.395 20 0 JIADRO COc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519822 1069112585 /nfs/dbraw/zinc/11/25/85/1069112585.db2.gz WZQJHEKBSWJFEJ-RPBOFIJWSA-N 1 0 484.604 4.264 20 0 JIADRO COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849520874 1069113312 /nfs/dbraw/zinc/11/33/12/1069113312.db2.gz YVFYZLLAVNNRIC-VWNXMTODSA-N 1 0 475.593 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520680 1069113383 /nfs/dbraw/zinc/11/33/83/1069113383.db2.gz YMDDKTAHGBRYMF-RPWUZVMVSA-N 1 0 466.630 4.281 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849522068 1069114053 /nfs/dbraw/zinc/11/40/53/1069114053.db2.gz JGQDFEUQUYFTGN-BJKOFHAPSA-N 1 0 460.578 4.196 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300580410 1069114125 /nfs/dbraw/zinc/11/41/25/1069114125.db2.gz SRNQCNOGFRIIAK-QRQLOZEOSA-N 1 0 477.531 4.408 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849522374 1069114456 /nfs/dbraw/zinc/11/44/56/1069114456.db2.gz KUIPOBDMMFKVFQ-NSVAZKTRSA-N 1 0 472.633 4.465 20 0 JIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522895 1069115870 /nfs/dbraw/zinc/11/58/70/1069115870.db2.gz PWEAMIHLXRHJBS-KPOBHBOGSA-N 1 0 458.031 4.418 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300580959 1069116339 /nfs/dbraw/zinc/11/63/39/1069116339.db2.gz WBWLUOXQFPDPSU-PMACEKPBSA-N 1 0 457.688 4.330 20 0 JIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849524315 1069117373 /nfs/dbraw/zinc/11/73/73/1069117373.db2.gz ZULUTIADWVZCRI-RPBOFIJWSA-N 1 0 454.659 4.363 20 0 JIADRO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849524895 1069118297 /nfs/dbraw/zinc/11/82/97/1069118297.db2.gz KOXXWQMBKSGMMK-LADGPHEKSA-N 1 0 476.577 4.452 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524532 1069119316 /nfs/dbraw/zinc/11/93/16/1069119316.db2.gz ISPITRXDIHPYMV-UPVQGACJSA-N 1 0 477.653 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2Oc2cccc(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849525761 1069122499 /nfs/dbraw/zinc/12/24/99/1069122499.db2.gz OLPJFYUDITXWAK-DNQXCXABSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525626 1069122570 /nfs/dbraw/zinc/12/25/70/1069122570.db2.gz RFSHWVDHYOVOSI-LADGPHEKSA-N 1 0 451.590 4.261 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537517 1069161659 /nfs/dbraw/zinc/16/16/59/1069161659.db2.gz UEMKKSAXEDOLJF-SGNDLWITSA-N 1 0 452.002 4.142 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543160 1069175171 /nfs/dbraw/zinc/17/51/71/1069175171.db2.gz LISPMQNYPPCNJA-ZIAGYGMSSA-N 1 0 466.430 4.042 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@]3(C)CC(c4cccc(Cl)c4F)=NO3)CC2)c1 ZINC001300597214 1069176630 /nfs/dbraw/zinc/17/66/30/1069176630.db2.gz YQAKEHGWJBEETM-XMMPIXPASA-N 1 0 459.949 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849546411 1069181041 /nfs/dbraw/zinc/18/10/41/1069181041.db2.gz ANKNWJJTAHWNLJ-JQASONJCSA-N 1 0 470.683 4.454 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849547137 1069182740 /nfs/dbraw/zinc/18/27/40/1069182740.db2.gz FQCBFLITDHDFOC-DVIHYUSWSA-N 1 0 464.635 4.181 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849547142 1069182817 /nfs/dbraw/zinc/18/28/17/1069182817.db2.gz FQCBFLITDHDFOC-UTKFAANNSA-N 1 0 464.635 4.181 20 0 JIADRO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001300599294 1069183349 /nfs/dbraw/zinc/18/33/49/1069183349.db2.gz HCGOHKFROHJSIO-HSZRJFAPSA-N 1 0 467.658 4.323 20 0 JIADRO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550135 1069189357 /nfs/dbraw/zinc/18/93/57/1069189357.db2.gz CJMMYHVBAFUQIR-NHCUHLMSSA-N 1 0 465.985 4.024 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554235 1069197153 /nfs/dbraw/zinc/19/71/53/1069197153.db2.gz VJMCPECYVWJFPH-VXKWHMMOSA-N 1 0 473.459 4.236 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555504 1069199943 /nfs/dbraw/zinc/19/99/43/1069199943.db2.gz ZHCAUIOCJRGEIK-FJIJXJHWSA-N 1 0 452.986 4.023 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556950 1069203668 /nfs/dbraw/zinc/20/36/68/1069203668.db2.gz DQSKHYATRJOVFR-RELGLDOUSA-N 1 0 494.611 4.296 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C[C@@H](C)O2 ZINC000849556877 1069204730 /nfs/dbraw/zinc/20/47/30/1069204730.db2.gz DWPIEIMQJSUDSD-QRQLOZEOSA-N 1 0 475.431 4.119 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557891 1069205525 /nfs/dbraw/zinc/20/55/25/1069205525.db2.gz 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20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1 ZINC000849590215 1069241421 /nfs/dbraw/zinc/24/14/21/1069241421.db2.gz XUNFKLLXKXBOLR-PMACEKPBSA-N 1 0 495.546 4.138 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC001354467018 1069241474 /nfs/dbraw/zinc/24/14/74/1069241474.db2.gz GLWWILHOVUVJAR-UHFFFAOYSA-N 1 0 456.537 4.343 20 0 JIADRO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589758 1069241807 /nfs/dbraw/zinc/24/18/07/1069241807.db2.gz ZHWJHIIFKPUVDZ-SFTDATJTSA-N 1 0 472.593 4.425 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1 ZINC000849590218 1069242113 /nfs/dbraw/zinc/24/21/13/1069242113.db2.gz XUNFKLLXKXBOLR-WOJBJXKFSA-N 1 0 495.546 4.138 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300620351 1069242811 /nfs/dbraw/zinc/24/28/11/1069242811.db2.gz DXWWDXBDNPTYPN-LJQANCHMSA-N 1 0 453.587 4.101 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590943 1069242901 /nfs/dbraw/zinc/24/29/01/1069242901.db2.gz FPPWRORWWVXOMP-BDTNDASRSA-N 1 0 464.532 4.400 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001492576490 1069243840 /nfs/dbraw/zinc/24/38/40/1069243840.db2.gz UKTFYNKFPWXPMZ-HSZRJFAPSA-N 1 0 463.655 4.220 20 0 JIADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001354473327 1069245122 /nfs/dbraw/zinc/24/51/22/1069245122.db2.gz IJHQVIDWMCHWMD-RUZDIDTESA-N 1 0 451.611 4.151 20 0 JIADRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849593088 1069245656 /nfs/dbraw/zinc/24/56/56/1069245656.db2.gz AXYKLDKIPIIHJX-GOTSBHOMSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594134 1069246189 /nfs/dbraw/zinc/24/61/89/1069246189.db2.gz SZMGRTSUIYWSOH-XUZZJYLKSA-N 1 0 451.590 4.261 20 0 JIADRO 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COCC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000849601228 1069258015 /nfs/dbraw/zinc/25/80/15/1069258015.db2.gz UKRXSHXEYXBTEN-FKBYEOEOSA-N 1 0 466.548 4.147 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849604446 1069261163 /nfs/dbraw/zinc/26/11/63/1069261163.db2.gz XGINUJQZISGKAN-WMZOPIPTSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849603561 1069261851 /nfs/dbraw/zinc/26/18/51/1069261851.db2.gz RBKFTAFRMBZOOJ-BHIFYINESA-N 1 0 473.459 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@H](c2cnn(C)c2)C1 ZINC000849608327 1069264524 /nfs/dbraw/zinc/26/45/24/1069264524.db2.gz OJPWKBMAXOSUDJ-CABCVRRESA-N 1 0 477.432 4.087 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000849610501 1069266714 /nfs/dbraw/zinc/26/67/14/1069266714.db2.gz JSRQLYAPNFZGGD-XKCSPQBFSA-N 1 0 455.027 4.345 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849611119 1069270011 /nfs/dbraw/zinc/27/00/11/1069270011.db2.gz UBRIROSDYBODPT-DLBZAZTESA-N 1 0 462.670 4.078 20 0 JIADRO Cc1ccc(Sc2nsc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849612467 1069271307 /nfs/dbraw/zinc/27/13/07/1069271307.db2.gz LJIMEDHEWJVARU-OALUTQOASA-N 1 0 456.641 4.184 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300632356 1069282857 /nfs/dbraw/zinc/28/28/57/1069282857.db2.gz XZZIOVBMFQHELU-HXUWFJFHSA-N 1 0 453.587 4.216 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529717 1069304641 /nfs/dbraw/zinc/30/46/41/1069304641.db2.gz OTQGVQJACCYVFF-HYBUGGRVSA-N 1 0 451.567 4.037 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300641563 1069308997 /nfs/dbraw/zinc/30/89/97/1069308997.db2.gz UDIHCSNFOOREGQ-GOSISDBHSA-N 1 0 491.514 4.460 20 0 JIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)CC2 ZINC001164387715 718801975 /nfs/dbraw/zinc/80/19/75/718801975.db2.gz NBDBUFCJCMGDNS-UHFFFAOYSA-N 1 0 471.335 4.393 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(C[C@@H]4CCO)CC3)c21 ZINC001164393766 718811112 /nfs/dbraw/zinc/81/11/12/718811112.db2.gz WFAZZPCKTXWIRP-FQEVSTJZSA-N 1 0 482.024 4.386 20 0 JIADRO FC(F)(F)[C@@H]1N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388218 718814204 /nfs/dbraw/zinc/81/42/04/718814204.db2.gz NKONAAJUAFDUAC-HXUWFJFHSA-N 1 0 465.951 4.199 20 0 JIADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164409871 718865946 /nfs/dbraw/zinc/86/59/46/718865946.db2.gz VCIHZGRJPZSHNB-SUMWQHHRSA-N 1 0 462.850 4.175 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4CCCO[C@H]4C3)c21 ZINC001164421483 718900160 /nfs/dbraw/zinc/90/01/60/718900160.db2.gz RJMXTIDAIYHYFT-FPOVZHCZSA-N 1 0 467.997 4.402 20 0 JIADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164424040 718946159 /nfs/dbraw/zinc/94/61/59/718946159.db2.gz NGDKJJMLRZFSAJ-SFTDATJTSA-N 1 0 491.661 4.238 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164617506 719009308 /nfs/dbraw/zinc/00/93/08/719009308.db2.gz OKKYBVQVIAKQRD-MGPUTAFESA-N 1 0 459.990 4.151 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164614107 719010607 /nfs/dbraw/zinc/01/06/07/719010607.db2.gz CGTKUUHLSAQCJP-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164619893 719011271 /nfs/dbraw/zinc/01/12/71/719011271.db2.gz XKFRBXOESIKFBS-HYBUGGRVSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164615538 719019579 /nfs/dbraw/zinc/01/95/79/719019579.db2.gz IOUMASABRINXKS-VOBQZIQPSA-N 1 0 472.923 4.225 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC2)CC1 ZINC001164613894 719025042 /nfs/dbraw/zinc/02/50/42/719025042.db2.gz JBSIIKUZKSERRN-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)CC2)CC1 ZINC001164617934 719031536 /nfs/dbraw/zinc/03/15/36/719031536.db2.gz PNWRIBXYQVHIFZ-FQEVSTJZSA-N 1 0 465.642 4.253 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)CC2)CC1 ZINC001164617169 719032521 /nfs/dbraw/zinc/03/25/21/719032521.db2.gz IRVIDYFWWTYWMZ-UHFFFAOYSA-N 1 0 482.959 4.081 20 0 JIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc1 ZINC001164621061 719120380 /nfs/dbraw/zinc/12/03/80/719120380.db2.gz KHVNGFMGJBFRHI-YOEHRIQHSA-N 1 0 453.892 4.247 20 0 JIADRO COc1cc2c[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)cc2cc1OC ZINC001164673412 719525821 /nfs/dbraw/zinc/52/58/21/719525821.db2.gz SLOOOVDTBDSTIM-UHFFFAOYSA-N 1 0 451.542 4.263 20 0 JIADRO Cc1nc2sccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684165 719655460 /nfs/dbraw/zinc/65/54/60/719655460.db2.gz WJSRBFCWWKCQMB-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4cccc(Cl)c4n3)CC2)c2ccccc21 ZINC001164680977 719661324 /nfs/dbraw/zinc/66/13/24/719661324.db2.gz KLLFESFSAALOAD-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4ccc(Cl)nc4cn3)CC2)c2ccccc21 ZINC001164684557 719670083 /nfs/dbraw/zinc/67/00/83/719670083.db2.gz URLDFWGBWJHTEL-HXUWFJFHSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4cc(Cl)ccc4n3)CC2)c2ccccc21 ZINC001164686045 719671445 /nfs/dbraw/zinc/67/14/45/719671445.db2.gz WMGNYZCHGLDAHO-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO COc1ccc2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164682962 719672191 /nfs/dbraw/zinc/67/21/91/719672191.db2.gz QGHLPDGSKQMLLB-JOCHJYFZSA-N 1 0 472.633 4.337 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4c(Cl)ccnc4cn3)CC2)c2ccccc21 ZINC001164687178 719672532 /nfs/dbraw/zinc/67/25/32/719672532.db2.gz ZTXTYAZZNZUHRM-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc(OCc4ccccc4)cn3)CC2)c2ccccc21 ZINC001164680753 719674053 /nfs/dbraw/zinc/67/40/53/719674053.db2.gz HIMDOKCVJQYQBF-DEOSSOPVSA-N 1 0 499.659 4.149 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cccc(F)c4n3)CC2)c2ccccc21 ZINC001164679976 719675438 /nfs/dbraw/zinc/67/54/38/719675438.db2.gz ABTWKXMNMYUEQK-OAQYLSRUSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ccccc4)ncn3)CC2)c2ccccc21 ZINC001164681118 719677619 /nfs/dbraw/zinc/67/76/19/719677619.db2.gz JWPGMUDAUOGQQF-QHCPKHFHSA-N 1 0 469.633 4.237 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c2ccccc21 ZINC001164682675 719678303 /nfs/dbraw/zinc/67/83/03/719678303.db2.gz PKJRGIRUFSYSKP-JOCHJYFZSA-N 1 0 487.623 4.376 20 0 JIADRO Cc1nc(-c2ccccn2)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680846 719680010 /nfs/dbraw/zinc/68/00/10/719680010.db2.gz HZKAWDDMFRKHOT-HSZRJFAPSA-N 1 0 498.675 4.249 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4c5c([nH]c43)CCC5)CC2)c2ccccc21 ZINC001164681953 719683174 /nfs/dbraw/zinc/68/31/74/719683174.db2.gz ASGRORLRIFTRIU-HXUWFJFHSA-N 1 0 471.649 4.145 20 0 JIADRO CSc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(SC)n1 ZINC001164684161 719683319 /nfs/dbraw/zinc/68/33/19/719683319.db2.gz HNCFWSRHDTWSCM-GOSISDBHSA-N 1 0 485.723 4.014 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)CC2 ZINC001164685024 719707416 /nfs/dbraw/zinc/70/74/16/719707416.db2.gz QALJNWXOFMPIQC-UHFFFAOYSA-N 1 0 467.976 4.270 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1)OCC ZINC001164691988 719809075 /nfs/dbraw/zinc/80/90/75/719809075.db2.gz DQMOQRXVCCSAPA-UHFFFAOYSA-N 1 0 480.078 4.472 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812640 720116149 /nfs/dbraw/zinc/11/61/49/720116149.db2.gz PJEXWCCTTDMBGA-UQBPGWFLSA-N 1 0 472.992 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712727 720139571 /nfs/dbraw/zinc/13/95/71/720139571.db2.gz OQQMJQCXHMOJFE-LOSJGSFVSA-N 1 0 478.637 4.041 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164712081 720147549 /nfs/dbraw/zinc/14/75/49/720147549.db2.gz KKWOOJXUXVYUIQ-SANMLTNESA-N 1 0 486.616 4.341 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164712268 720147857 /nfs/dbraw/zinc/14/78/57/720147857.db2.gz MEZDTZNTQDBTSO-KRWDZBQOSA-N 1 0 476.959 4.059 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819869 720182168 /nfs/dbraw/zinc/18/21/68/720182168.db2.gz YUZHTGSTODWRFR-DWACAAAGSA-N 1 0 458.606 4.490 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CCC2 ZINC001164811925 720217130 /nfs/dbraw/zinc/21/71/30/720217130.db2.gz ARRBSUQIHBZGGM-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO Cc1sc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1-c1ccccc1 ZINC001164812690 720237536 /nfs/dbraw/zinc/23/75/36/720237536.db2.gz HPDJUVILCRJCEU-UHFFFAOYSA-N 1 0 474.634 4.474 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CCC2 ZINC001164818364 720242870 /nfs/dbraw/zinc/24/28/70/720242870.db2.gz YVNWLZORLPLFTI-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)CCC2 ZINC001164814470 720242972 /nfs/dbraw/zinc/24/29/72/720242972.db2.gz UJDBTHJEJONHRW-UHFFFAOYSA-N 1 0 485.057 4.154 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccccc1Cl)CCC2 ZINC001164817146 720245905 /nfs/dbraw/zinc/24/59/05/720245905.db2.gz PKGQWSZMPQHONO-UHFFFAOYSA-N 1 0 489.407 4.383 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164826637 720306813 /nfs/dbraw/zinc/30/68/13/720306813.db2.gz WCCZQGITHRCGNG-FGZHOGPDSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164824492 720306931 /nfs/dbraw/zinc/30/69/31/720306931.db2.gz RDNFACRMIQTJSW-RPBOFIJWSA-N 1 0 491.586 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164823836 720313641 /nfs/dbraw/zinc/31/36/41/720313641.db2.gz QCPCBQIQVTWDPN-RTWAWAEBSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164831948 720321929 /nfs/dbraw/zinc/32/19/29/720321929.db2.gz SJGFFFWHPMCEGZ-OALUTQOASA-N 1 0 498.405 4.393 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164829214 720339425 /nfs/dbraw/zinc/33/94/25/720339425.db2.gz QWEJKOXQRBIAEH-WOJBJXKFSA-N 1 0 499.750 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164822719 720348251 /nfs/dbraw/zinc/34/82/51/720348251.db2.gz DUCUPZAKVHFSRN-VXKWHMMOSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164822248 720350271 /nfs/dbraw/zinc/35/02/71/720350271.db2.gz CXJXIIKJZKSULR-CVEARBPZSA-N 1 0 480.909 4.210 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164826679 720353048 /nfs/dbraw/zinc/35/30/48/720353048.db2.gz KTBQGBDKUGFHJH-FCHUYYIVSA-N 1 0 484.044 4.396 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001164821771 720355717 /nfs/dbraw/zinc/35/57/17/720355717.db2.gz BWACNPGCDURORL-UXHICEINSA-N 1 0 452.977 4.069 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC001164728170 720515217 /nfs/dbraw/zinc/51/52/17/720515217.db2.gz JTULZWZMWBQNFJ-GOSISDBHSA-N 1 0 459.985 4.254 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838471 720518023 /nfs/dbraw/zinc/51/80/23/720518023.db2.gz RIOVFRFOGFVMFZ-DJPFJPOOSA-N 1 0 460.960 4.402 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc32)C1 ZINC001164735429 720522675 /nfs/dbraw/zinc/52/26/75/720522675.db2.gz XFKDVMJQSHNWNC-GVNMIALZSA-N 1 0 456.638 4.492 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837330 720555287 /nfs/dbraw/zinc/55/52/87/720555287.db2.gz LTBFDOASEUTVAV-LSQMVHIFSA-N 1 0 455.610 4.054 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164736912 720588383 /nfs/dbraw/zinc/58/83/83/720588383.db2.gz VRYMZCRYHUWQIZ-UHFFFAOYSA-N 1 0 454.578 4.160 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@@H]21 ZINC001164842801 720598487 /nfs/dbraw/zinc/59/84/87/720598487.db2.gz VOYDWPMXYMSIDG-AABGKKOBSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@@H]21 ZINC001164842805 720599158 /nfs/dbraw/zinc/59/91/58/720599158.db2.gz VOYDWPMXYMSIDG-UFYCRDLUSA-N 1 0 487.986 4.311 20 0 JIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)o2)cc1 ZINC001164835603 720609994 /nfs/dbraw/zinc/60/99/94/720609994.db2.gz BSPJMYBXSOEYPO-BHDDXSALSA-N 1 0 457.582 4.168 20 0 JIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842846 720633625 /nfs/dbraw/zinc/63/36/25/720633625.db2.gz VWGHEDSXSHZVNR-NJDAHSKKSA-N 1 0 452.006 4.075 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843765 720656695 /nfs/dbraw/zinc/65/66/95/720656695.db2.gz XVKJEVVRSSSHCZ-HXUWFJFHSA-N 1 0 480.634 4.436 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164842775 720660127 /nfs/dbraw/zinc/66/01/27/720660127.db2.gz UEXDMMMLHKQWID-QFIPXVFZSA-N 1 0 499.615 4.319 20 0 JIADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839710 720662160 /nfs/dbraw/zinc/66/21/60/720662160.db2.gz JPFAZILJBLDSQX-GOSISDBHSA-N 1 0 494.970 4.112 20 0 JIADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842574 720671534 /nfs/dbraw/zinc/67/15/34/720671534.db2.gz SAJOKENRXNISEB-GOSISDBHSA-N 1 0 465.976 4.001 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164837009 720675386 /nfs/dbraw/zinc/67/53/86/720675386.db2.gz AQXVLBOALMYBPH-SFHVURJKSA-N 1 0 479.955 4.326 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164844482 720689075 /nfs/dbraw/zinc/68/90/75/720689075.db2.gz SHQYKABYKKXLLF-RTWAWAEBSA-N 1 0 497.043 4.439 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164844477 720689229 /nfs/dbraw/zinc/68/92/29/720689229.db2.gz SHQYKABYKKXLLF-LEWJYISDSA-N 1 0 497.043 4.439 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840349 720717905 /nfs/dbraw/zinc/71/79/05/720717905.db2.gz PXBBCMLOGPLAPR-JOCHJYFZSA-N 1 0 474.605 4.421 20 0 JIADRO Fc1cnc(N2CCC3(CC2)CN(c2ncccc2C[NH+]2CCCC2)Cc2ccccc23)nc1 ZINC001164836131 720735346 /nfs/dbraw/zinc/73/53/46/720735346.db2.gz BBNANARKKLJCCF-UHFFFAOYSA-N 1 0 458.585 4.165 20 0 JIADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843477 720742287 /nfs/dbraw/zinc/74/22/87/720742287.db2.gz KYFOMVALVUAGEZ-UHFFFAOYSA-N 1 0 469.927 4.119 20 0 JIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745311 720762083 /nfs/dbraw/zinc/76/20/83/720762083.db2.gz VACMHRAMHGTWIO-IAGOWNOFSA-N 1 0 464.620 4.169 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@H]54)ccc3C2)cc1 ZINC001164849426 720772495 /nfs/dbraw/zinc/77/24/95/720772495.db2.gz SHWLQJPUIZNKSU-ITHJLQSDSA-N 1 0 470.617 4.378 20 0 JIADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164744244 720796022 /nfs/dbraw/zinc/79/60/22/720796022.db2.gz IFNUWPYYUZCMPH-XUZZJYLKSA-N 1 0 466.545 4.068 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739644 720820299 /nfs/dbraw/zinc/82/02/99/720820299.db2.gz HZGYVXMCSDCTSD-XKCSPQBFSA-N 1 0 499.997 4.313 20 0 JIADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746168 720824631 /nfs/dbraw/zinc/82/46/31/720824631.db2.gz YCLLKGZFGMXCHL-CZTZKLFOSA-N 1 0 472.971 4.404 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744995 720826245 /nfs/dbraw/zinc/82/62/45/720826245.db2.gz VUDNIXYFEKQEQS-TWJOJJKGSA-N 1 0 492.631 4.177 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746594 720844893 /nfs/dbraw/zinc/84/48/93/720844893.db2.gz PBQBFQWXWGFCCB-FMGHJNRGSA-N 1 0 479.632 4.192 20 0 JIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164751086 720846514 /nfs/dbraw/zinc/84/65/14/720846514.db2.gz YLOCVGBLMAEBFX-DFQSSKMNSA-N 1 0 483.979 4.032 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cs1 ZINC001164751065 720848571 /nfs/dbraw/zinc/84/85/71/720848571.db2.gz YFAUBEHZUHVKTH-YZUZCNPQSA-N 1 0 471.634 4.329 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746169 720852320 /nfs/dbraw/zinc/85/23/20/720852320.db2.gz GGDRPSIYEWIJNH-AZSVPQILSA-N 1 0 465.605 4.268 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164751236 720852849 /nfs/dbraw/zinc/85/28/49/720852849.db2.gz QYURKYSDQOCJJL-QSEAXJEQSA-N 1 0 495.631 4.276 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748121 720853728 /nfs/dbraw/zinc/85/37/28/720853728.db2.gz KHOJXJCFKFNCLA-DBXWQHBBSA-N 1 0 496.084 4.318 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@H]2C1 ZINC001164853504 720855824 /nfs/dbraw/zinc/85/58/24/720855824.db2.gz GVHOGRASFALCQI-XZOQPEGZSA-N 1 0 480.012 4.033 20 0 JIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751217 720857626 /nfs/dbraw/zinc/85/76/26/720857626.db2.gz QRTLTDZGFLGKHF-YRISNDGFSA-N 1 0 472.971 4.446 20 0 JIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164753048 720857649 /nfs/dbraw/zinc/85/76/49/720857649.db2.gz VOPBEMOALAZERA-RZUBCFFCSA-N 1 0 456.038 4.149 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)CC[C@H]2C1 ZINC001164854103 720869071 /nfs/dbraw/zinc/86/90/71/720869071.db2.gz JFUIOPIUIASPTJ-URXFXBBRSA-N 1 0 488.028 4.011 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753510 720872753 /nfs/dbraw/zinc/87/27/53/720872753.db2.gz PVYOXDWDOZHQOR-AMGIVPHBSA-N 1 0 499.055 4.370 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164862921 720874566 /nfs/dbraw/zinc/87/45/66/720874566.db2.gz SATLLVCVDMCMSH-CVDCTZTESA-N 1 0 452.986 4.124 20 0 JIADRO c1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164755512 720876937 /nfs/dbraw/zinc/87/69/37/720876937.db2.gz YCNGFIAYNSBXAN-LEAFIULHSA-N 1 0 455.606 4.294 20 0 JIADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753488 720877940 /nfs/dbraw/zinc/87/79/40/720877940.db2.gz POTWVVOHLNOEHB-NZQKXSOJSA-N 1 0 477.987 4.133 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@@H]2C1 ZINC001164859124 720882093 /nfs/dbraw/zinc/88/20/93/720882093.db2.gz LTEIVFSEQDEAHA-DENIHFKCSA-N 1 0 481.971 4.032 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CSC2 ZINC001164747374 720882268 /nfs/dbraw/zinc/88/22/68/720882268.db2.gz BIDVHOUGYNZMRP-CYFREDJKSA-N 1 0 472.058 4.027 20 0 JIADRO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164757494 720884391 /nfs/dbraw/zinc/88/43/91/720884391.db2.gz VETTWNJGPQRGLB-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cnc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753495 720886255 /nfs/dbraw/zinc/88/62/55/720886255.db2.gz HDAVLHCEMNQWIR-ATIYNZHBSA-N 1 0 464.013 4.433 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756536 720888181 /nfs/dbraw/zinc/88/81/81/720888181.db2.gz QDHWRSWEWIOIIM-AMGIVPHBSA-N 1 0 499.055 4.370 20 0 JIADRO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164749771 720893002 /nfs/dbraw/zinc/89/30/02/720893002.db2.gz APRSLRMEUUNYHT-NVQXNPDNSA-N 1 0 464.013 4.433 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164750826 720893671 /nfs/dbraw/zinc/89/36/71/720893671.db2.gz CBVXCTJLHVVWKV-CYFREDJKSA-N 1 0 485.057 4.198 20 0 JIADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757873 720898668 /nfs/dbraw/zinc/89/86/68/720898668.db2.gz WAIBCKXVBKRHFN-LSYYVWMOSA-N 1 0 478.685 4.253 20 0 JIADRO CCCN(CCC)c1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757871 720898694 /nfs/dbraw/zinc/89/86/94/720898694.db2.gz WAIBCKXVBKRHFN-LBNVMWSVSA-N 1 0 478.685 4.253 20 0 JIADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757874 720899479 /nfs/dbraw/zinc/89/94/79/720899479.db2.gz WAIBCKXVBKRHFN-NAKRPHOHSA-N 1 0 478.685 4.253 20 0 JIADRO c1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753742 720908059 /nfs/dbraw/zinc/90/80/59/720908059.db2.gz SLTPJTDLIPBNJR-NAKRPHOHSA-N 1 0 455.606 4.294 20 0 JIADRO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)s1 ZINC001164750075 720927006 /nfs/dbraw/zinc/92/70/06/720927006.db2.gz JAZGFTHSABRVEM-HOFKKMOUSA-N 1 0 490.677 4.367 20 0 JIADRO c1cc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cs1 ZINC001164751429 720928772 /nfs/dbraw/zinc/92/87/72/720928772.db2.gz MLBBHAPNNQUWRA-BVAGGSTKSA-N 1 0 461.635 4.355 20 0 JIADRO c1cc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cs1 ZINC001164751436 720929737 /nfs/dbraw/zinc/92/97/37/720929737.db2.gz MLBBHAPNNQUWRA-ZEQKJWHPSA-N 1 0 461.635 4.355 20 0 JIADRO Clc1nc2c(nc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164751404 720936651 /nfs/dbraw/zinc/93/66/51/720936651.db2.gz MDNBBBLYRIGOHM-RLWLMLJZSA-N 1 0 468.045 4.159 20 0 JIADRO NC(=S)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164748536 720939049 /nfs/dbraw/zinc/93/90/49/720939049.db2.gz GTUVPIMKPIUFPT-IBVKSMDESA-N 1 0 493.702 4.081 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868931 721067708 /nfs/dbraw/zinc/06/77/08/721067708.db2.gz RGOZJAUNARFNJE-VWNXMTODSA-N 1 0 485.563 4.319 20 0 JIADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866381 721097186 /nfs/dbraw/zinc/09/71/86/721097186.db2.gz SXOOXWHLEBGQRX-JKSUJKDBSA-N 1 0 480.346 4.356 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164774045 721099962 /nfs/dbraw/zinc/09/99/62/721099962.db2.gz YTILLWJTXIMPAM-KGLIPLIRSA-N 1 0 451.789 4.282 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)nc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164772245 721110287 /nfs/dbraw/zinc/11/02/87/721110287.db2.gz UQKWGDCKDJLQCB-LSDHHAIUSA-N 1 0 467.351 4.173 20 0 JIADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870263 721135821 /nfs/dbraw/zinc/13/58/21/721135821.db2.gz CDKLKUNOQCUHNJ-KGLIPLIRSA-N 1 0 463.743 4.461 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164771319 721142322 /nfs/dbraw/zinc/14/23/22/721142322.db2.gz 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YYPNSMYFEKQRKO-NNWRFLSQSA-N 1 0 476.955 4.257 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164879785 721253599 /nfs/dbraw/zinc/25/35/99/721253599.db2.gz YYPNSMYFEKQRKO-BVSLBCMMSA-N 1 0 476.955 4.257 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)nc1 ZINC001164881709 721299396 /nfs/dbraw/zinc/29/93/96/721299396.db2.gz XUNYOASOXFVJIB-QPTUXGOLSA-N 1 0 468.667 4.448 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775689 721308633 /nfs/dbraw/zinc/30/86/33/721308633.db2.gz IJIWCKCFAOURTI-VWLOTQADSA-N 1 0 477.653 4.406 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164778944 721324645 /nfs/dbraw/zinc/32/46/45/721324645.db2.gz RVEFUXVDHSDXPQ-VWLOTQADSA-N 1 0 488.636 4.206 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779507 721353517 /nfs/dbraw/zinc/35/35/17/721353517.db2.gz UMODKVNFZNLOSW-AREMUKBSSA-N 1 0 464.614 4.270 20 0 JIADRO COc1ccc2c(C)cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787069 721357663 /nfs/dbraw/zinc/35/76/63/721357663.db2.gz YFWULESUWFCLMV-AREMUKBSSA-N 1 0 450.583 4.276 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894590 721396197 /nfs/dbraw/zinc/39/61/97/721396197.db2.gz ZEPQCJJEGMNQRT-UUOWRZLLSA-N 1 0 469.680 4.185 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890542 721398327 /nfs/dbraw/zinc/39/83/27/721398327.db2.gz NZNFYJOOPUIXAF-DJJJIMSYSA-N 1 0 468.256 4.461 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889423 721405282 /nfs/dbraw/zinc/40/52/82/721405282.db2.gz QGRPFOQZHYPNNZ-REWPJTCUSA-N 1 0 464.988 4.199 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)cc1 ZINC001164892867 721421978 /nfs/dbraw/zinc/42/19/78/721421978.db2.gz YZEMMWCFVCHIFF-FUFSCUOVSA-N 1 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164786599 721452657 /nfs/dbraw/zinc/45/26/57/721452657.db2.gz NEEKULBTWJNAKI-QGZVFWFLSA-N 1 0 461.956 4.153 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164789300 721459870 /nfs/dbraw/zinc/45/98/70/721459870.db2.gz WOWWVCONBZHFAX-LJQANCHMSA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164789938 721461035 /nfs/dbraw/zinc/46/10/35/721461035.db2.gz YPGUHFOEDDXQLE-QHCPKHFHSA-N 1 0 467.658 4.280 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164786465 721463398 /nfs/dbraw/zinc/46/33/98/721463398.db2.gz OFBICUCVPOQLFJ-FQEVSTJZSA-N 1 0 459.034 4.326 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(Cl)n1 ZINC001164790623 721468484 /nfs/dbraw/zinc/46/84/84/721468484.db2.gz SNEUHSZJHPAWBU-KRWDZBQOSA-N 1 0 457.446 4.080 20 0 JIADRO c1cn2c(n1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@@H](COCc1ccccn1)C2 ZINC001164893287 721468978 /nfs/dbraw/zinc/46/89/78/721468978.db2.gz SLAFPQHQACNMQT-DEOSSOPVSA-N 1 0 480.616 4.085 20 0 JIADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793173 721490500 /nfs/dbraw/zinc/49/05/00/721490500.db2.gz OUYCXFIMVCVXDM-UHFFFAOYSA-N 1 0 479.959 4.128 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164791406 721497483 /nfs/dbraw/zinc/49/74/83/721497483.db2.gz CLIOWMFYBMQYHU-UHFFFAOYSA-N 1 0 484.652 4.200 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164795929 721498685 /nfs/dbraw/zinc/49/86/85/721498685.db2.gz NGEHZMWEGVKUHI-UHFFFAOYSA-N 1 0 458.944 4.499 20 0 JIADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164795178 721520649 /nfs/dbraw/zinc/52/06/49/721520649.db2.gz LCSBUNAHRMUNBS-UHFFFAOYSA-N 1 0 479.632 4.083 20 0 JIADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164912460 721550328 /nfs/dbraw/zinc/55/03/28/721550328.db2.gz ZWJODDUNINSHQR-UPVQGACJSA-N 1 0 456.521 4.206 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810147 721592095 /nfs/dbraw/zinc/59/20/95/721592095.db2.gz UPNRCTGWYNKRPY-SXWKCWPCSA-N 1 0 456.949 4.299 20 0 JIADRO COC(=O)c1cc2c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]c(Cl)cc-2n1 ZINC001164908269 721715126 /nfs/dbraw/zinc/71/51/26/721715126.db2.gz WTHMQNHOJVWCMR-QFIPXVFZSA-N 1 0 475.927 4.136 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908528 721717296 /nfs/dbraw/zinc/71/72/96/721717296.db2.gz XHWHVNUWGUSMGD-OAQYLSRUSA-N 1 0 461.948 4.193 20 0 JIADRO Cc1ccc(-c2nnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c3ccccc32)cc1C ZINC001165009643 721745284 /nfs/dbraw/zinc/74/52/84/721745284.db2.gz HIBKBNDIYJHIBF-UHFFFAOYSA-N 1 0 457.622 4.437 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001165013327 721749673 /nfs/dbraw/zinc/74/96/73/721749673.db2.gz XZGXRRCKQFRKRX-UHFFFAOYSA-N 1 0 464.397 4.099 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027215 721799598 /nfs/dbraw/zinc/79/95/98/721799598.db2.gz UIHNRCUBNQOJSD-NNWRFLSQSA-N 1 0 484.604 4.191 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165027727 721800034 /nfs/dbraw/zinc/80/00/34/721800034.db2.gz XONWILIWWYTTMY-IHPCNDPISA-N 1 0 465.623 4.308 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028199 721802284 /nfs/dbraw/zinc/80/22/84/721802284.db2.gz ZAZRXSNARNAUSR-LRXVAGHRSA-N 1 0 465.985 4.202 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001165022156 721803764 /nfs/dbraw/zinc/80/37/64/721803764.db2.gz IAZINRDLQCRNRL-KSCKTEMCSA-N 1 0 468.649 4.167 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C[C@@H]21 ZINC001165024724 721815680 /nfs/dbraw/zinc/81/56/80/721815680.db2.gz KKBBENLJPFAICJ-JRGCBEDISA-N 1 0 456.034 4.395 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCC[C@@H]([N@H+](C)Cc6ccccn6)[C@H]5C4)ccc-3c2=O)cc1 ZINC001165025779 721822322 /nfs/dbraw/zinc/82/23/22/721822322.db2.gz NYYULBBSWZLJRN-CVTPTMSISA-N 1 0 497.643 4.378 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@H]21 ZINC001165030154 721825024 /nfs/dbraw/zinc/82/50/24/721825024.db2.gz YBLZAVSDRYUXNZ-ZFJSRUIDSA-N 1 0 468.045 4.493 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]21 ZINC001165023209 721826258 /nfs/dbraw/zinc/82/62/58/721826258.db2.gz IGYHKQFAZONWDT-UVLLPENVSA-N 1 0 469.939 4.067 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC1 ZINC001165022047 721841523 /nfs/dbraw/zinc/84/15/23/721841523.db2.gz NXYNTFGUVUKXGW-UHFFFAOYSA-N 1 0 475.033 4.381 20 0 JIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164927050 721867169 /nfs/dbraw/zinc/86/71/69/721867169.db2.gz UMSVYGWUQBJHLQ-CVEARBPZSA-N 1 0 464.775 4.350 20 0 JIADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1 ZINC001165032963 721876834 /nfs/dbraw/zinc/87/68/34/721876834.db2.gz JHTLFSAGBCLRRW-UHFFFAOYSA-N 1 0 460.987 4.303 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C(=O)NCc4ccccc4)CC3)C2)cc1 ZINC001164938774 721921556 /nfs/dbraw/zinc/92/15/56/721921556.db2.gz RCWMUEHZSOBNMA-UHFFFAOYSA-N 1 0 470.617 4.191 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939364 721925680 /nfs/dbraw/zinc/92/56/80/721925680.db2.gz KERJWJHHHWMCEO-UHFFFAOYSA-N 1 0 491.057 4.208 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2)OCC ZINC001164939322 721926638 /nfs/dbraw/zinc/92/66/38/721926638.db2.gz ILWJMTJTVQRTRE-UHFFFAOYSA-N 1 0 489.060 4.251 20 0 JIADRO COc1cccc(Oc2cncc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)n2)c1 ZINC001164940067 721928705 /nfs/dbraw/zinc/92/87/05/721928705.db2.gz QBCKUBAGEHIRFG-UHFFFAOYSA-N 1 0 460.578 4.457 20 0 JIADRO CN(CC1CC[NH+](C)CC1)c1ncnc2cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc21 ZINC001165042615 721936292 /nfs/dbraw/zinc/93/62/92/721936292.db2.gz JTWYCDDGGVRICU-UHFFFAOYSA-N 1 0 470.614 4.311 20 0 JIADRO CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C12CC3CC(CC(C3)C1)C2 ZINC001165048490 721986481 /nfs/dbraw/zinc/98/64/81/721986481.db2.gz LUUALNUKTIBGLF-MBBDBFLNSA-N 1 0 454.659 4.285 20 0 JIADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2n1 ZINC001164952122 722015092 /nfs/dbraw/zinc/01/50/92/722015092.db2.gz HPUBCTOMQNTRFN-UHFFFAOYSA-N 1 0 464.788 4.268 20 0 JIADRO CN(C)C(=O)c1cc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2n1C1CCCC1 ZINC001164952056 722017383 /nfs/dbraw/zinc/01/73/83/722017383.db2.gz GOSBJWWCLCRYNX-UHFFFAOYSA-N 1 0 487.652 4.136 20 0 JIADRO O=C(NCCSCc1ccco1)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955881 722019586 /nfs/dbraw/zinc/01/95/86/722019586.db2.gz QPHQXMHFAWMJEH-UHFFFAOYSA-N 1 0 491.661 4.225 20 0 JIADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960652 722058777 /nfs/dbraw/zinc/05/87/77/722058777.db2.gz FXWPLJYQXLIBHF-UHFFFAOYSA-N 1 0 461.944 4.275 20 0 JIADRO c1ccc(CSc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962182 722061285 /nfs/dbraw/zinc/06/12/85/722061285.db2.gz PFFAILIBNQWPSV-UHFFFAOYSA-N 1 0 461.635 4.283 20 0 JIADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccc(Cl)nc2)n1 ZINC001164961666 722061474 /nfs/dbraw/zinc/06/14/74/722061474.db2.gz NTHTUROLCQTZLX-UHFFFAOYSA-N 1 0 465.001 4.014 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967006 722073662 /nfs/dbraw/zinc/07/36/62/722073662.db2.gz JCVNAVSMPIYLJB-HDICACEKSA-N 1 0 459.949 4.017 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164971283 722090842 /nfs/dbraw/zinc/09/08/42/722090842.db2.gz BAIVPGPDOQPGIC-ACIOBRDBSA-N 1 0 454.640 4.018 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164981618 722106947 /nfs/dbraw/zinc/10/69/47/722106947.db2.gz LUAUQSKNXKRVJG-QFBILLFUSA-N 1 0 477.918 4.090 20 0 JIADRO CSc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164971407 722124858 /nfs/dbraw/zinc/12/48/58/722124858.db2.gz CIKNHCJFFWRJGK-IAGOWNOFSA-N 1 0 454.974 4.124 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985431 722139172 /nfs/dbraw/zinc/13/91/72/722139172.db2.gz ZKTSGDRWUBHMJW-SIKLNZKXSA-N 1 0 480.996 4.187 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985093 722140522 /nfs/dbraw/zinc/14/05/22/722140522.db2.gz ZHXKVNRWANMYLH-HNVPCBRESA-N 1 0 472.637 4.131 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984242 722146991 /nfs/dbraw/zinc/14/69/91/722146991.db2.gz WTJRFAISVZOHJC-WZONZLPQSA-N 1 0 453.949 4.058 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982541 722148200 /nfs/dbraw/zinc/14/82/00/722148200.db2.gz RPJGWGJUBQLFKI-HOFKKMOUSA-N 1 0 481.600 4.428 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982612 722150225 /nfs/dbraw/zinc/15/02/25/722150225.db2.gz RSTBGQASVWOSIY-NFBKMPQASA-N 1 0 485.966 4.464 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194618 /nfs/dbraw/zinc/19/46/18/722194618.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 1 0 457.597 4.419 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998018 722220270 /nfs/dbraw/zinc/22/02/70/722220270.db2.gz GNVVLJBXFVQKPO-WXVAWEFUSA-N 1 0 462.594 4.381 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCC2 ZINC001164999787 722252621 /nfs/dbraw/zinc/25/26/21/722252621.db2.gz FTNLCURNYJMUFK-UHFFFAOYSA-N 1 0 485.366 4.167 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CCCn5cnc(COCC[NH+](C)C)c5C4)c23)cc1 ZINC001165004931 722256264 /nfs/dbraw/zinc/25/62/64/722256264.db2.gz XTLCMLBZYZPTBP-UHFFFAOYSA-N 1 0 478.622 4.052 20 0 JIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003427 722257300 /nfs/dbraw/zinc/25/73/00/722257300.db2.gz CQQBDMSJCQBXAY-UHFFFAOYSA-N 1 0 492.649 4.190 20 0 JIADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(F)c(F)c4)cc(c32)C1=O ZINC001200700370 1069321357 /nfs/dbraw/zinc/32/13/57/1069321357.db2.gz XICBQYXQIKOTBB-UHFFFAOYSA-N 1 0 454.502 4.085 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H]1C ZINC001492592909 1069323760 /nfs/dbraw/zinc/32/37/60/1069323760.db2.gz WUSPJRQPMQTEAQ-GGAORHGYSA-N 1 0 498.672 4.016 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC3(CCOCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300647535 1069323895 /nfs/dbraw/zinc/32/38/95/1069323895.db2.gz DVANENGUGZDOIY-JOCHJYFZSA-N 1 0 485.673 4.239 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492593088 1069326032 /nfs/dbraw/zinc/32/60/32/1069326032.db2.gz BFPZPWGBNXXKRL-FGZHOGPDSA-N 1 0 462.642 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(C)(F)F ZINC001300669965 1069398746 /nfs/dbraw/zinc/39/87/46/1069398746.db2.gz ODVDUABDQHQHDV-DLBZAZTESA-N 1 0 451.587 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300670261 1069400943 /nfs/dbraw/zinc/40/09/43/1069400943.db2.gz RBIVMSUUXHJVKS-UGKGYDQZSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300675803 1069421101 /nfs/dbraw/zinc/42/11/01/1069421101.db2.gz JXEJYBTXMSHZAZ-KRWDZBQOSA-N 1 0 451.587 4.156 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCSC1 ZINC001300676193 1069422640 /nfs/dbraw/zinc/42/26/40/1069422640.db2.gz BNGFAYXJGXSMLG-LJQANCHMSA-N 1 0 461.701 4.253 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359348144 1069423381 /nfs/dbraw/zinc/42/33/81/1069423381.db2.gz AOEXIQNINLKWNN-ZXRQXVRKSA-N 1 0 478.685 4.451 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCO[C@@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001300676439 1069424305 /nfs/dbraw/zinc/42/43/05/1069424305.db2.gz DURGOSWGQLDMKL-NRFANRHFSA-N 1 0 473.687 4.316 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001359349098 1069425149 /nfs/dbraw/zinc/42/51/49/1069425149.db2.gz QQMDBDAHVYRBAV-LQAKIXKWSA-N 1 0 450.631 4.033 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359350039 1069428679 /nfs/dbraw/zinc/42/86/79/1069428679.db2.gz QDZKYAIHQHWIKB-QHCPKHFHSA-N 1 0 484.664 4.364 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359350579 1069430086 /nfs/dbraw/zinc/43/00/86/1069430086.db2.gz IXYHLRJVLBIPQB-MOPGFXCFSA-N 1 0 489.064 4.003 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359356045 1069442389 /nfs/dbraw/zinc/44/23/89/1069442389.db2.gz FIVHHYNZJROAAB-FQEVSTJZSA-N 1 0 473.065 4.168 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001359354610 1069440495 /nfs/dbraw/zinc/44/04/95/1069440495.db2.gz SSQPJKPRGOUMNM-HXUWFJFHSA-N 1 0 496.700 4.084 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359356224 1069443186 /nfs/dbraw/zinc/44/31/86/1069443186.db2.gz IUIFXWZQORQMKA-GCJKJVERSA-N 1 0 487.073 4.268 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCOC(C)(C)C ZINC001300680227 1069443935 /nfs/dbraw/zinc/44/39/35/1069443935.db2.gz VJXFOHWHVUPHEE-HXUWFJFHSA-N 1 0 473.687 4.459 20 0 JIADRO CC(=O)N1CCC(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001359364835 1069459677 /nfs/dbraw/zinc/45/96/77/1069459677.db2.gz FLCGBCHTHQGRFF-UHFFFAOYSA-N 1 0 493.483 4.431 20 0 JIADRO CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001359368202 1069467026 /nfs/dbraw/zinc/46/70/26/1069467026.db2.gz FAWZGIJRQRMWLY-LJQANCHMSA-N 1 0 491.055 4.307 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359375125 1069480852 /nfs/dbraw/zinc/48/08/52/1069480852.db2.gz ATDMJGFRPDIWSK-SZPZYZBQSA-N 1 0 466.674 4.070 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359374208 1069478796 /nfs/dbraw/zinc/47/87/96/1069478796.db2.gz VVEOLUKCGIQGOV-HXUWFJFHSA-N 1 0 491.080 4.249 20 0 JIADRO CC(C)=CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001359380616 1069485750 /nfs/dbraw/zinc/48/57/50/1069485750.db2.gz PHZKFCQQLMQGEO-HYBUGGRVSA-N 1 0 485.076 4.334 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001359380908 1069485525 /nfs/dbraw/zinc/48/55/25/1069485525.db2.gz VEJLUMWDXAANRM-LAUBAEHRSA-N 1 0 495.018 4.023 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001359385639 1069492400 /nfs/dbraw/zinc/49/24/00/1069492400.db2.gz HRGCIOOZRUGDIM-MOPGFXCFSA-N 1 0 491.055 4.307 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC001359386187 1069494710 /nfs/dbraw/zinc/49/47/10/1069494710.db2.gz VYUHDSCMJIXDCN-PKOBYXMFSA-N 1 0 493.483 4.429 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC12CCCCC2 ZINC001359392537 1069498015 /nfs/dbraw/zinc/49/80/15/1069498015.db2.gz VOWNDGWQAPDWQV-QHCPKHFHSA-N 1 0 480.701 4.369 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC001359394686 1069499098 /nfs/dbraw/zinc/49/90/98/1069499098.db2.gz BKYPEQWUQBQHTB-WXFUMESZSA-N 1 0 494.728 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JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359438245 1069567538 /nfs/dbraw/zinc/56/75/38/1069567538.db2.gz WXDAZZJRYHHXFS-VWLOTQADSA-N 1 0 480.701 4.070 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359444576 1069576629 /nfs/dbraw/zinc/57/66/29/1069576629.db2.gz NPPKYUXMAPSDSY-UHFFFAOYSA-N 1 0 496.700 4.091 20 0 JIADRO CC(=O)NCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359461592 1069583820 /nfs/dbraw/zinc/58/38/20/1069583820.db2.gz CBVOMKHJMKULQE-UHFFFAOYSA-N 1 0 497.471 4.001 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359463374 1069586407 /nfs/dbraw/zinc/58/64/07/1069586407.db2.gz JNTHWURSUUIPRK-UHFFFAOYSA-N 1 0 495.697 4.226 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359464884 1069594133 /nfs/dbraw/zinc/59/41/33/1069594133.db2.gz IXCXZGGZIDGXIZ-NRFANRHFSA-N 1 0 498.672 4.409 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359464976 1069595123 /nfs/dbraw/zinc/59/51/23/1069595123.db2.gz MHEPDSPJLAVXNJ-FQEVSTJZSA-N 1 0 472.703 4.260 20 0 JIADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)C1 ZINC001359491659 1069707891 /nfs/dbraw/zinc/70/78/91/1069707891.db2.gz RXGSNBVNLVLXDF-JOCHJYFZSA-N 1 0 498.691 4.263 20 0 JIADRO CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCC2)cc1 ZINC001359497756 1069740396 /nfs/dbraw/zinc/74/03/96/1069740396.db2.gz CGFKQXHMJYEWNA-HXUWFJFHSA-N 1 0 481.563 4.018 20 0 JIADRO CC(C)(C)c1nnc(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001359501198 1069762791 /nfs/dbraw/zinc/76/27/91/1069762791.db2.gz XKVMRNRXVRRKKI-UHFFFAOYSA-N 1 0 497.713 4.408 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359505198 1069775095 /nfs/dbraw/zinc/77/50/95/1069775095.db2.gz SNKIIZCQZPREMP-UHFFFAOYSA-N 1 0 481.563 4.071 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCOc1ncccc1F ZINC001359505058 1069775920 /nfs/dbraw/zinc/77/59/20/1069775920.db2.gz OGTUWRLDYJHDPW-UHFFFAOYSA-N 1 0 458.626 4.281 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359506725 1069779717 /nfs/dbraw/zinc/77/97/17/1069779717.db2.gz VUTSOQGZCBRMMP-UHFFFAOYSA-N 1 0 465.564 4.113 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359512492 1069794939 /nfs/dbraw/zinc/79/49/39/1069794939.db2.gz FENKZVAXENZJGQ-AABGKKOBSA-N 1 0 471.612 4.493 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359514835 1069801117 /nfs/dbraw/zinc/80/11/17/1069801117.db2.gz ZOJJQTMOFABBON-UHFFFAOYSA-N 1 0 480.579 4.415 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359515473 1069802194 /nfs/dbraw/zinc/80/21/94/1069802194.db2.gz WYNXSNVQKBYNMZ-UHFFFAOYSA-N 1 0 462.589 4.323 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001359521643 1069809036 /nfs/dbraw/zinc/80/90/36/1069809036.db2.gz BUZKBDSGNGUGRW-YADHBBJMSA-N 1 0 476.065 4.087 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCc1ccccc1F ZINC001359527310 1069816901 /nfs/dbraw/zinc/81/69/01/1069816901.db2.gz IISMNGFCHTWEQH-UHFFFAOYSA-N 1 0 498.691 4.067 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1(O)CCCCCC1 ZINC001359532080 1069824853 /nfs/dbraw/zinc/82/48/53/1069824853.db2.gz IVTKVAKTKGCPBN-UHFFFAOYSA-N 1 0 461.695 4.033 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CCC[NH+]1CCCC1 ZINC001359535064 1069828348 /nfs/dbraw/zinc/82/83/48/1069828348.db2.gz JBMHVAQUBIKSAO-GOSISDBHSA-N 1 0 467.584 4.409 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCc3ccc(Br)cc3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001359533382 1069825930 /nfs/dbraw/zinc/82/59/30/1069825930.db2.gz ZEOASFAEEMYGMZ-UHFFFAOYSA-N 1 0 490.490 4.039 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359537569 1069832798 /nfs/dbraw/zinc/83/27/98/1069832798.db2.gz DYTOWDRZZQVIBR-OAQYLSRUSA-N 1 0 484.689 4.382 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCSC(F)(F)F ZINC001359540969 1069838596 /nfs/dbraw/zinc/83/85/96/1069838596.db2.gz MGVNHZNJDCZUCG-UHFFFAOYSA-N 1 0 455.594 4.484 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1(C)C ZINC001300794354 1069845340 /nfs/dbraw/zinc/84/53/40/1069845340.db2.gz JSCSUWRVFXUWEA-FXAWDEMLSA-N 1 0 493.494 4.172 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccs2)CC1 ZINC001359547255 1069852004 /nfs/dbraw/zinc/85/20/04/1069852004.db2.gz ICTWSSGBTYAMFJ-UHFFFAOYSA-N 1 0 486.711 4.132 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCc2ccccc2)CC1 ZINC001359545940 1069849192 /nfs/dbraw/zinc/84/91/92/1069849192.db2.gz LHIIUUPURHTCEQ-UHFFFAOYSA-N 1 0 466.674 4.095 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001359546415 1069850457 /nfs/dbraw/zinc/85/04/57/1069850457.db2.gz DRGXBTDFQGFBIO-UHFFFAOYSA-N 1 0 470.021 4.026 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001359546601 1069850768 /nfs/dbraw/zinc/85/07/68/1069850768.db2.gz KQSWZPOKMAXRPP-UHFFFAOYSA-N 1 0 465.568 4.155 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001359546886 1069851240 /nfs/dbraw/zinc/85/12/40/1069851240.db2.gz TXYZMNFVXMVCMD-VWLOTQADSA-N 1 0 471.049 4.393 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001359546965 1069851754 /nfs/dbraw/zinc/85/17/54/1069851754.db2.gz WEHCXOHRPHBETC-FQEVSTJZSA-N 1 0 458.651 4.412 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001359547473 1069852953 /nfs/dbraw/zinc/85/29/53/1069852953.db2.gz QPPIBWNNBLKMHO-UHFFFAOYSA-N 1 0 492.590 4.026 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001359548714 1069855938 /nfs/dbraw/zinc/85/59/38/1069855938.db2.gz NMEJZTGJVRCBDQ-FPOVZHCZSA-N 1 0 476.065 4.372 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2(O)CCOCC2)CC1 ZINC001359549339 1069857664 /nfs/dbraw/zinc/85/76/64/1069857664.db2.gz LQMAXILHHABDIF-UHFFFAOYSA-N 1 0 482.456 4.104 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2OC(F)F)CC1 ZINC001359550304 1069858421 /nfs/dbraw/zinc/85/84/21/1069858421.db2.gz XTRUVKKZWHDMEV-UHFFFAOYSA-N 1 0 470.568 4.029 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(F)(F)CC2)n1CCC[NH+]1CCCC1 ZINC001359558985 1069879830 /nfs/dbraw/zinc/87/98/30/1069879830.db2.gz YXYPIUMTPWTLSG-SFHVURJKSA-N 1 0 468.593 4.072 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001359561927 1069886373 /nfs/dbraw/zinc/88/63/73/1069886373.db2.gz HYDFNQAKCGCUNN-VQTJNVASSA-N 1 0 486.661 4.499 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCCCCC2)n1CCCCC[NH+]1CCCC1 ZINC001359561095 1069884695 /nfs/dbraw/zinc/88/46/95/1069884695.db2.gz NVWVUXBIRJHTKE-JOCHJYFZSA-N 1 0 490.693 4.233 20 0 JIADRO CC(C)(C)OC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359571862 1069946143 /nfs/dbraw/zinc/94/61/43/1069946143.db2.gz WBFOWVQXXHJDNG-UHFFFAOYSA-N 1 0 492.068 4.219 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359579500 1069995952 /nfs/dbraw/zinc/99/59/52/1069995952.db2.gz MARZGRLGHUXNLD-NHCUHLMSSA-N 1 0 473.637 4.105 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359579746 1069998937 /nfs/dbraw/zinc/99/89/37/1069998937.db2.gz RSZFFOUHYVKCTO-RPWUZVMVSA-N 1 0 483.701 4.365 20 0 JIADRO CC(C)(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359586245 1070017303 /nfs/dbraw/zinc/01/73/03/1070017303.db2.gz FBIVVCPOLYWCHY-FGZHOGPDSA-N 1 0 489.730 4.438 20 0 JIADRO CC(C)(Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1)C(F)(F)F ZINC001359597659 1070051768 /nfs/dbraw/zinc/05/17/68/1070051768.db2.gz ZBCAZOZZERMYGM-UHFFFAOYSA-N 1 0 479.591 4.343 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001359598564 1070054750 /nfs/dbraw/zinc/05/47/50/1070054750.db2.gz GDYJBHATQKSPLV-JOCHJYFZSA-N 1 0 455.647 4.106 20 0 JIADRO CC(C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359602902 1070062760 /nfs/dbraw/zinc/06/27/60/1070062760.db2.gz YRXYZFFHZVEPLJ-UHFFFAOYSA-N 1 0 480.426 4.072 20 0 JIADRO CC(C)=CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001359607640 1070070058 /nfs/dbraw/zinc/07/00/58/1070070058.db2.gz WEVOYCWSKBDOQD-SFTDATJTSA-N 1 0 472.081 4.345 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359619637 1070090907 /nfs/dbraw/zinc/09/09/07/1070090907.db2.gz BBSSAZSRXJAGOB-GOSISDBHSA-N 1 0 479.044 4.066 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359622078 1070097675 /nfs/dbraw/zinc/09/76/75/1070097675.db2.gz VAVNFOBOTNGGFH-OEMFJLHTSA-N 1 0 496.700 4.043 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359622969 1070100358 /nfs/dbraw/zinc/10/03/58/1070100358.db2.gz MHYUIVULIORFQF-NFBKMPQASA-N 1 0 466.674 4.101 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001359623842 1070105978 /nfs/dbraw/zinc/10/59/78/1070105978.db2.gz GYMFLTOTHGIFFH-QFIPXVFZSA-N 1 0 458.695 4.114 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001359623841 1070106205 /nfs/dbraw/zinc/10/62/05/1070106205.db2.gz GYMFLTOTHGIFFH-JOCHJYFZSA-N 1 0 458.695 4.114 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359626116 1070117457 /nfs/dbraw/zinc/11/74/57/1070117457.db2.gz DJECIOKERMTVSR-SIKLNZKXSA-N 1 0 472.653 4.006 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359627012 1070124718 /nfs/dbraw/zinc/12/47/18/1070124718.db2.gz AUYBRATZMABSQW-JOCHJYFZSA-N 1 0 491.684 4.212 20 0 JIADRO CC(C)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359643874 1070183815 /nfs/dbraw/zinc/18/38/15/1070183815.db2.gz PPXHNHONMPBSHW-UHFFFAOYSA-N 1 0 453.635 4.062 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359655966 1070230200 /nfs/dbraw/zinc/23/02/00/1070230200.db2.gz HBJRAVSLELIURF-RTWAWAEBSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001359656208 1070234557 /nfs/dbraw/zinc/23/45/57/1070234557.db2.gz LSTHZGXPRVNAIU-FQEVSTJZSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359656555 1070236753 /nfs/dbraw/zinc/23/67/53/1070236753.db2.gz RMFSGEOUWKTOBI-HXUWFJFHSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1)[NH+]1CCOCC1 ZINC001359658582 1070257990 /nfs/dbraw/zinc/25/79/90/1070257990.db2.gz FBPLMJFIPQWKLX-NRFANRHFSA-N 1 0 463.573 4.140 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1nccs1)[NH+]1CCOCC1 ZINC001359659063 1070262972 /nfs/dbraw/zinc/26/29/72/1070262972.db2.gz OVWRVIFQMDLSRL-HXUWFJFHSA-N 1 0 493.052 4.230 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001359658801 1070261081 /nfs/dbraw/zinc/26/10/81/1070261081.db2.gz JDWSAGGFCXJKKH-HXUWFJFHSA-N 1 0 461.035 4.048 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001359659401 1070265166 /nfs/dbraw/zinc/26/51/66/1070265166.db2.gz VZZUIDPZFBMFOG-HXUWFJFHSA-N 1 0 451.537 4.081 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCOCC1 ZINC001359660011 1070269677 /nfs/dbraw/zinc/26/96/77/1070269677.db2.gz HZQXSMJDQRXCQT-OAQYLSRUSA-N 1 0 487.446 4.029 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359664386 1070291903 /nfs/dbraw/zinc/29/19/03/1070291903.db2.gz DUSOQJVEEDLXBK-HSZRJFAPSA-N 1 0 496.059 4.113 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC001359664514 1070292077 /nfs/dbraw/zinc/29/20/77/1070292077.db2.gz HIDCTVAWQDSLQB-NRFANRHFSA-N 1 0 488.702 4.154 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001359665350 1070295645 /nfs/dbraw/zinc/29/56/45/1070295645.db2.gz XTJHWKDFSSXMFV-JOCHJYFZSA-N 1 0 472.559 4.438 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665790 1070298243 /nfs/dbraw/zinc/29/82/43/1070298243.db2.gz GOTRCENMPNXIBF-NRFANRHFSA-N 1 0 472.703 4.156 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)cn1 ZINC001359673658 1070323691 /nfs/dbraw/zinc/32/36/91/1070323691.db2.gz JELBMXBYZHZNKV-MRXNPFEDSA-N 1 0 472.435 4.208 20 0 JIADRO CC(C)c1nc(CCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)cs1 ZINC001359672737 1070320644 /nfs/dbraw/zinc/32/06/44/1070320644.db2.gz BPWVVHSMIFTLGG-UHFFFAOYSA-N 1 0 453.660 4.007 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001359674513 1070326012 /nfs/dbraw/zinc/32/60/12/1070326012.db2.gz NLGJGKWHVFMIPR-UHFFFAOYSA-N 1 0 453.610 4.146 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359681772 1070338067 /nfs/dbraw/zinc/33/80/67/1070338067.db2.gz QSRFXWJDLJNTIH-UHFFFAOYSA-N 1 0 454.663 4.139 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCSCC(C)C)CC1 ZINC001492596597 1070339883 /nfs/dbraw/zinc/33/98/83/1070339883.db2.gz UARVIRREUIWANB-UHFFFAOYSA-N 1 0 452.672 4.303 20 0 JIADRO CC(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359700050 1070363151 /nfs/dbraw/zinc/36/31/51/1070363151.db2.gz BAYMYLXBHCMVAN-RDPSFJRHSA-N 1 0 458.006 4.135 20 0 JIADRO 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COc1cccc([C@H](Cn2c(C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)[NH+](C)C)c1 ZINC001315545135 1064549625 /nfs/dbraw/zinc/54/96/25/1064549625.db2.gz LVNYOTLLWRQFOB-INIZCTEOSA-N 1 0 454.522 4.010 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(C)o2)[NH+](C)C)c1 ZINC001315546132 1064552431 /nfs/dbraw/zinc/55/24/31/1064552431.db2.gz FZSJAFTVGJHTRN-DEOSSOPVSA-N 1 0 460.582 4.498 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)[NH+](C)C)c1 ZINC001315546970 1064555354 /nfs/dbraw/zinc/55/53/54/1064555354.db2.gz LAPKXLBORKMXBT-HXUWFJFHSA-N 1 0 472.037 4.271 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001315547692 1064557636 /nfs/dbraw/zinc/55/76/36/1064557636.db2.gz UHFNXBFFRZFASK-FQEVSTJZSA-N 1 0 462.436 4.277 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCCCC2)[NH+](C)C)c1 ZINC001315547787 1064558313 /nfs/dbraw/zinc/55/83/13/1064558313.db2.gz DMGLUXJOQFGJJD-QFIPXVFZSA-N 1 0 454.644 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C)s2)[NH+](C)C)c1 ZINC001315548079 1064559630 /nfs/dbraw/zinc/55/96/30/1064559630.db2.gz GDGAFIBKIRIAKM-FCHUYYIVSA-N 1 0 455.628 4.447 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](C)CC2)[NH+](C)C)c1 ZINC001315548426 1064560314 /nfs/dbraw/zinc/56/03/14/1064560314.db2.gz IOKHSLFOTWHVFN-CYFREDJKSA-N 1 0 465.646 4.078 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(CC(C)C)C2CCCC2)[NH+](C)C)c1 ZINC001315548331 1064560380 /nfs/dbraw/zinc/56/03/80/1064560380.db2.gz ZTLQTMOGJZETNT-DEOSSOPVSA-N 1 0 465.646 4.395 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001315549300 1064563678 /nfs/dbraw/zinc/56/36/78/1064563678.db2.gz MBCKTONGKVSTBI-HSZRJFAPSA-N 1 0 452.603 4.315 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001315549720 1064565021 /nfs/dbraw/zinc/56/50/21/1064565021.db2.gz SQIWHFLGBJKXFI-SFHVURJKSA-N 1 0 452.603 4.459 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315552738 1064569648 /nfs/dbraw/zinc/56/96/48/1064569648.db2.gz SMEXVNLHMUJOIG-SFTDATJTSA-N 1 0 465.646 4.043 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315553249 1064570088 /nfs/dbraw/zinc/57/00/88/1064570088.db2.gz XGXQMIPETVPAFP-BHIFYINESA-N 1 0 453.631 4.246 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001315553430 1064570595 /nfs/dbraw/zinc/57/05/95/1064570595.db2.gz CIJXWPNMCLTKLR-PXNSSMCTSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315554977 1064573473 /nfs/dbraw/zinc/57/34/73/1064573473.db2.gz CLTRXQWPUQPVAR-REWPJTCUSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001315555147 1064573898 /nfs/dbraw/zinc/57/38/98/1064573898.db2.gz FKXTYGWEXZRTKQ-LJQANCHMSA-N 1 0 468.652 4.454 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001315556561 1064575805 /nfs/dbraw/zinc/57/58/05/1064575805.db2.gz BWTZCBNGWCGSPR-LEWJYISDSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001315556568 1064576335 /nfs/dbraw/zinc/57/63/35/1064576335.db2.gz BWTZCBNGWCGSPR-SFTDATJTSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001315559940 1064585225 /nfs/dbraw/zinc/58/52/25/1064585225.db2.gz GGCPAXIFZMRDIK-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315560295 1064585777 /nfs/dbraw/zinc/58/57/77/1064585777.db2.gz RREFDISDDOWXML-UHFFFAOYSA-N 1 0 491.684 4.486 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001315561056 1064586202 /nfs/dbraw/zinc/58/62/02/1064586202.db2.gz YYKXSZGVRGAOHH-OAQYLSRUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315561437 1064587194 /nfs/dbraw/zinc/58/71/94/1064587194.db2.gz VVSMTMALZHATIJ-JOCHJYFZSA-N 1 0 465.646 4.190 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315563847 1064592932 /nfs/dbraw/zinc/59/29/32/1064592932.db2.gz FFWLVQBYVOBRAG-GOTSBHOMSA-N 1 0 496.700 4.016 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001315564819 1064595022 /nfs/dbraw/zinc/59/50/22/1064595022.db2.gz PXAKNWNVBFMIDL-UHFFFAOYSA-N 1 0 498.672 4.323 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315567197 1064600086 /nfs/dbraw/zinc/60/00/86/1064600086.db2.gz OEUWTRGDZVTYQZ-LVXARBLLSA-N 1 0 467.614 4.491 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315568139 1064602268 /nfs/dbraw/zinc/60/22/68/1064602268.db2.gz XSYPVEKRLSFNLI-URXFXBBRSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001315570656 1064612781 /nfs/dbraw/zinc/61/27/81/1064612781.db2.gz NQSJTYBEUKPTNL-DPLHUUCSSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001315570657 1064612821 /nfs/dbraw/zinc/61/28/21/1064612821.db2.gz NQSJTYBEUKPTNL-HFMPRLQTSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001315572423 1064619755 /nfs/dbraw/zinc/61/97/55/1064619755.db2.gz URHRAWLGHAHEPT-RPWUZVMVSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001315573265 1064623484 /nfs/dbraw/zinc/62/34/84/1064623484.db2.gz XQKJXBPXAOFOTG-QPPBQGQZSA-N 1 0 482.717 4.489 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001315574189 1064627258 /nfs/dbraw/zinc/62/72/58/1064627258.db2.gz XHOLAMDHWQESMU-XZOQPEGZSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)(C)C)n2CCC[NH+]2CCCC2)c1 ZINC001315576913 1064634633 /nfs/dbraw/zinc/63/46/33/1064634633.db2.gz AEGMHJDDHHLMLB-QHCPKHFHSA-N 1 0 455.647 4.256 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001315586088 1064665483 /nfs/dbraw/zinc/66/54/83/1064665483.db2.gz XPOOHONFZPYHJS-NRFANRHFSA-N 1 0 478.641 4.374 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001315586402 1064666087 /nfs/dbraw/zinc/66/60/87/1064666087.db2.gz ZYSYOKSJNZFBMF-SZPZYZBQSA-N 1 0 498.716 4.090 20 0 JIADRO COc1cccc(OCCCn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001315589871 1064675761 /nfs/dbraw/zinc/67/57/61/1064675761.db2.gz DHGDHXDSXUVJJL-UHFFFAOYSA-N 1 0 484.670 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(C)C)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001315591660 1064681212 /nfs/dbraw/zinc/68/12/12/1064681212.db2.gz OVJFJIFQECTLLS-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315593627 1064688201 /nfs/dbraw/zinc/68/82/01/1064688201.db2.gz JCNJVKXWGMFVPN-KRWDZBQOSA-N 1 0 495.653 4.277 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315596359 1064697257 /nfs/dbraw/zinc/69/72/57/1064697257.db2.gz IZXNPGOXXSBPJV-HYBUGGRVSA-N 1 0 455.647 4.466 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315596358 1064697364 /nfs/dbraw/zinc/69/73/64/1064697364.db2.gz IZXNPGOXXSBPJV-GBXCKJPGSA-N 1 0 455.647 4.466 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315599048 1064703099 /nfs/dbraw/zinc/70/30/99/1064703099.db2.gz OIRRHMVRBYTOIO-GOSISDBHSA-N 1 0 493.574 4.424 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315600346 1064707528 /nfs/dbraw/zinc/70/75/28/1064707528.db2.gz XFWFCCZIBXWWRC-HOYKHHGWSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315600385 1064707631 /nfs/dbraw/zinc/70/76/31/1064707631.db2.gz XQFNCAXXSRXDEJ-KOSHJBKYSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315601359 1064710215 /nfs/dbraw/zinc/71/02/15/1064710215.db2.gz WZBCMBDOONLQLG-QTEQDKRBSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315601707 1064711144 /nfs/dbraw/zinc/71/11/44/1064711144.db2.gz OCGSBGOOOFPOME-OAQYLSRUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315604697 1064718076 /nfs/dbraw/zinc/71/80/76/1064718076.db2.gz PIGFUNUNFVDTIA-LEWJYISDSA-N 1 0 481.645 4.081 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001315605040 1064718636 /nfs/dbraw/zinc/71/86/36/1064718636.db2.gz RVDQXAYLGNJGBO-NRFANRHFSA-N 1 0 498.672 4.133 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315606694 1064723298 /nfs/dbraw/zinc/72/32/98/1064723298.db2.gz AJIGXQNYGNGFOJ-PCCBWWKXSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001315607614 1064725125 /nfs/dbraw/zinc/72/51/25/1064725125.db2.gz RJDZVCHMQXDVNO-AREMUKBSSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315607758 1064725838 /nfs/dbraw/zinc/72/58/38/1064725838.db2.gz DSLJGFPQVLSWHE-KNQAVFIVSA-N 1 0 484.670 4.273 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001315608293 1064726884 /nfs/dbraw/zinc/72/68/84/1064726884.db2.gz WFNPOUALVUMPFM-ZRZAMGCNSA-N 1 0 466.674 4.305 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315610962 1064731171 /nfs/dbraw/zinc/73/11/71/1064731171.db2.gz JHLVAUPQLYKZIB-FYYLOGMGSA-N 1 0 482.673 4.279 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315612003 1064732593 /nfs/dbraw/zinc/73/25/93/1064732593.db2.gz FGAWTRUEDYUNDS-LEWJYISDSA-N 1 0 457.663 4.153 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315615969 1064742277 /nfs/dbraw/zinc/74/22/77/1064742277.db2.gz PCVDUDRLLWLNFF-JOCHJYFZSA-N 1 0 480.638 4.483 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315617409 1064747321 /nfs/dbraw/zinc/74/73/21/1064747321.db2.gz HFNZOHLIIJDHQL-UHFFFAOYSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315619204 1064751353 /nfs/dbraw/zinc/75/13/53/1064751353.db2.gz UPSGHDCJCQBAFT-HXUWFJFHSA-N 1 0 486.064 4.021 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCC(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315619714 1064753208 /nfs/dbraw/zinc/75/32/08/1064753208.db2.gz XPYDUJNACKFDBZ-OYRHEFFESA-N 1 0 457.663 4.248 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315620764 1064754694 /nfs/dbraw/zinc/75/46/94/1064754694.db2.gz PCCZVNGUKSMUOJ-XCBFCAQUSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315622405 1064759041 /nfs/dbraw/zinc/75/90/41/1064759041.db2.gz ZDLSKLSXEJBOIX-GHDARCQNSA-N 1 0 495.590 4.154 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCc1ccccn1 ZINC001315623402 1064761376 /nfs/dbraw/zinc/76/13/76/1064761376.db2.gz XSDVWTNLIQTRLA-UHFFFAOYSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001315623484 1064761535 /nfs/dbraw/zinc/76/15/35/1064761535.db2.gz ZWMMBNNCBCDGEP-URXFXBBRSA-N 1 0 469.674 4.107 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001315624827 1064765310 /nfs/dbraw/zinc/76/53/10/1064765310.db2.gz BFVHYJJITFNSNW-HSZRJFAPSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001315625825 1064768466 /nfs/dbraw/zinc/76/84/66/1064768466.db2.gz XOUKYUFKDUNUIO-YADHBBJMSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCCCCC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315626149 1064769010 /nfs/dbraw/zinc/76/90/10/1064769010.db2.gz BECPLVWFLXLRAZ-HSZRJFAPSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315628088 1064774172 /nfs/dbraw/zinc/77/41/72/1064774172.db2.gz OBCNBZBZIDZUTJ-VSKRKVRLSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)SC ZINC001315628618 1064775678 /nfs/dbraw/zinc/77/56/78/1064775678.db2.gz DJZBISNEJKSTGB-LJQANCHMSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1csc(C(C)C)n1 ZINC001315630011 1064778757 /nfs/dbraw/zinc/77/87/57/1064778757.db2.gz SLVIPFZRYVHDQG-UHFFFAOYSA-N 1 0 482.698 4.478 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001315631594 1064783091 /nfs/dbraw/zinc/78/30/91/1064783091.db2.gz PGADWBLAUJYETE-UHFFFAOYSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315631983 1064784634 /nfs/dbraw/zinc/78/46/34/1064784634.db2.gz OYSYAIADOCBIMG-VPYPWEPUSA-N 1 0 499.700 4.018 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1CC[N@H+](C)C1CCCCC1 ZINC001315634156 1064789653 /nfs/dbraw/zinc/78/96/53/1064789653.db2.gz DPHVBHZFKPYGST-UHFFFAOYSA-N 1 0 450.631 4.236 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315640538 1064803019 /nfs/dbraw/zinc/80/30/19/1064803019.db2.gz SIDHXSIOHRVYRR-FGZHOGPDSA-N 1 0 494.684 4.048 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315648290 1064823827 /nfs/dbraw/zinc/82/38/27/1064823827.db2.gz RNTOSXGGOSYZJY-SFHVURJKSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001315651947 1064833680 /nfs/dbraw/zinc/83/36/80/1064833680.db2.gz IPUBCJWRKGSSJE-SZPZYZBQSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315660412 1064857382 /nfs/dbraw/zinc/85/73/82/1064857382.db2.gz GTUVFLZQAMKBAM-PQNGQFLHSA-N 1 0 485.673 4.410 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(OC)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315661784 1064862444 /nfs/dbraw/zinc/86/24/44/1064862444.db2.gz JGIBFFOINXVUAN-DFBJGRDBSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(OC)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315661786 1064862493 /nfs/dbraw/zinc/86/24/93/1064862493.db2.gz JGIBFFOINXVUAN-UQBPGWFLSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCC3(CCOCC3)C2)n1CC[N@H+](C)C(C)C ZINC001315666097 1064881782 /nfs/dbraw/zinc/88/17/82/1064881782.db2.gz WAIKQBLCGTXHRT-UHFFFAOYSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@](C)(O)C(C)C ZINC001315666734 1064883932 /nfs/dbraw/zinc/88/39/32/1064883932.db2.gz VCJJPZFNTWZEJA-RXFWQSSRSA-N 1 0 487.714 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](OC)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315670481 1064899807 /nfs/dbraw/zinc/89/98/07/1064899807.db2.gz STQUQJXLMVWWEU-RTWAWAEBSA-N 1 0 473.687 4.172 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315684738 1064933691 /nfs/dbraw/zinc/93/36/91/1064933691.db2.gz CHUUGQMGBDHQPQ-APWZRJJASA-N 1 0 479.467 4.161 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315688089 1064940266 /nfs/dbraw/zinc/94/02/66/1064940266.db2.gz BSLZEMFRMVCVEX-KNQAVFIVSA-N 1 0 462.038 4.246 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001315688980 1064942229 /nfs/dbraw/zinc/94/22/29/1064942229.db2.gz ACJMZLXYQCKAFN-FQEVSTJZSA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001315691247 1064947172 /nfs/dbraw/zinc/94/71/72/1064947172.db2.gz HVWZJOSUAPVVGI-IBGZPJMESA-N 1 0 479.467 4.306 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001315693145 1064951195 /nfs/dbraw/zinc/95/11/95/1064951195.db2.gz PKFIFODZAHAYGP-NQIIRXRSSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315699010 1064963184 /nfs/dbraw/zinc/96/31/84/1064963184.db2.gz ZGDBRGCRQLUHPP-CABCVRRESA-N 1 0 480.432 4.280 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315699011 1064963244 /nfs/dbraw/zinc/96/32/44/1064963244.db2.gz ZGDBRGCRQLUHPP-GJZGRUSLSA-N 1 0 480.432 4.280 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315699313 1064964011 /nfs/dbraw/zinc/96/40/11/1064964011.db2.gz ZJCJFWAGMCJHBC-VWNXMTODSA-N 1 0 457.638 4.380 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001315703240 1064968217 /nfs/dbraw/zinc/96/82/17/1064968217.db2.gz IEVFNZJCMXNREE-GOSISDBHSA-N 1 0 454.594 4.499 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2C)CC1 ZINC001315703707 1064968789 /nfs/dbraw/zinc/96/87/89/1064968789.db2.gz FBLCERBPAIXHEJ-NRFANRHFSA-N 1 0 455.647 4.352 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001315703790 1064968972 /nfs/dbraw/zinc/96/89/72/1064968972.db2.gz LPIIRMOAENHVPA-FGZHOGPDSA-N 1 0 477.694 4.193 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(C)C)CC1 ZINC001315704047 1064970149 /nfs/dbraw/zinc/97/01/49/1064970149.db2.gz FNWIBUIKISKMQH-UHFFFAOYSA-N 1 0 450.631 4.475 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001315704346 1064970778 /nfs/dbraw/zinc/97/07/78/1064970778.db2.gz OICPCXJZLCQECT-OAQYLSRUSA-N 1 0 492.668 4.393 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001315704475 1064971368 /nfs/dbraw/zinc/97/13/68/1064971368.db2.gz JPUKXZJGRPACKC-NDEPHWFRSA-N 1 0 499.700 4.450 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001315704927 1064973041 /nfs/dbraw/zinc/97/30/41/1064973041.db2.gz KWHZKFXVUWAIOE-KDYSTLNUSA-N 1 0 491.721 4.081 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001315705529 1064974880 /nfs/dbraw/zinc/97/48/80/1064974880.db2.gz PCHLZBKRGFRMND-OAQYLSRUSA-N 1 0 487.714 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)C2)CC1 ZINC001315705591 1064974912 /nfs/dbraw/zinc/97/49/12/1064974912.db2.gz QMJAKYVSGTTYOG-OAQYLSRUSA-N 1 0 487.714 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001315705861 1064976016 /nfs/dbraw/zinc/97/60/16/1064976016.db2.gz VPCRTLGBVDRVBP-KRWDZBQOSA-N 1 0 485.583 4.100 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001315706004 1064976771 /nfs/dbraw/zinc/97/67/71/1064976771.db2.gz QBAIEPZTHMKZNC-QGZVFWFLSA-N 1 0 464.079 4.430 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001315706158 1064976795 /nfs/dbraw/zinc/97/67/95/1064976795.db2.gz UGMIOSFFUQXPNM-RLWLMLJZSA-N 1 0 487.714 4.341 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315707100 1064979905 /nfs/dbraw/zinc/97/99/05/1064979905.db2.gz GQGKYHIGNLHOPS-UXHICEINSA-N 1 0 459.610 4.122 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315707341 1064981421 /nfs/dbraw/zinc/98/14/21/1064981421.db2.gz ZISSOYJUKWYUQN-ZEQRLZLVSA-N 1 0 455.647 4.025 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001315708861 1064984553 /nfs/dbraw/zinc/98/45/53/1064984553.db2.gz IGXJZNBSSFPONS-XMSQKQJNSA-N 1 0 459.610 4.356 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001315709090 1064985113 /nfs/dbraw/zinc/98/51/13/1064985113.db2.gz ZVWHQKFRGBAHGX-QFIPXVFZSA-N 1 0 457.663 4.358 20 0 JIADRO COC1CC[NH+](C2(Cn3c(N4CCC(OC(C)C)CC4)nnc3C(C)(C)C)CCCC2)CC1 ZINC001315710857 1064987429 /nfs/dbraw/zinc/98/74/29/1064987429.db2.gz ZHJYHHFNDZJUGW-UHFFFAOYSA-N 1 0 461.695 4.393 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)CC[C@@H]1C ZINC001315711954 1064991647 /nfs/dbraw/zinc/99/16/47/1064991647.db2.gz HNJIMDBTPIUSRI-GDIGMMSISA-N 1 0 493.475 4.261 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2([NH+](C)C)CCSC2)CC[C@H]1C ZINC001315715159 1065003427 /nfs/dbraw/zinc/00/34/27/1065003427.db2.gz QZDPIAPELSWLTM-YDOBTQPPSA-N 1 0 487.714 4.333 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)C[NH+](C)C)CC[C@@H]1C ZINC001315717346 1065008017 /nfs/dbraw/zinc/00/80/17/1065008017.db2.gz VFCDSVXJMIKJOC-IEIRFRATSA-N 1 0 457.663 4.484 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@H]1C ZINC001315717903 1065010566 /nfs/dbraw/zinc/01/05/66/1065010566.db2.gz HJVSBDBNXWXKIU-YKSBVNFPSA-N 1 0 454.663 4.268 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1(C)C ZINC001315719009 1065012713 /nfs/dbraw/zinc/01/27/13/1065012713.db2.gz ZGFZBKLJZVJHKQ-GZGNHOFSSA-N 1 0 499.700 4.397 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[C@H]1C ZINC001315729008 1065025620 /nfs/dbraw/zinc/02/56/20/1065025620.db2.gz CLHNUBAKSYQXBG-GMKZXUHWSA-N 1 0 453.675 4.435 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1(C)C ZINC001315728930 1065025675 /nfs/dbraw/zinc/02/56/75/1065025675.db2.gz BLANRUOQPYPXNJ-JTHBVZDNSA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CC1(C)C ZINC001315728926 1065025773 /nfs/dbraw/zinc/02/57/73/1065025773.db2.gz BLANRUOQPYPXNJ-GGAORHGYSA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001315729223 1065026411 /nfs/dbraw/zinc/02/64/11/1065026411.db2.gz DCTBPPIBLPPFCN-WOIUINJBSA-N 1 0 460.692 4.007 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001315736114 1065037968 /nfs/dbraw/zinc/03/79/68/1065037968.db2.gz MTUGBEIOHCUQJO-GHTZIAJQSA-N 1 0 462.038 4.104 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC[C@@H]1C ZINC001315737952 1065042476 /nfs/dbraw/zinc/04/24/76/1065042476.db2.gz WJQXCJLUGYYKCP-QPTUXGOLSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[C@@H]1C ZINC001315738503 1065044751 /nfs/dbraw/zinc/04/47/51/1065044751.db2.gz YLOCWJQZVAINPZ-QTJGBDASSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1COCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315740520 1065048019 /nfs/dbraw/zinc/04/80/19/1065048019.db2.gz ZCEJZRKHBPUMKO-ISKFKSNPSA-N 1 0 490.092 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001315742012 1065050712 /nfs/dbraw/zinc/05/07/12/1065050712.db2.gz LXYIBFSQBYACMQ-AUSIDOKSSA-N 1 0 459.610 4.122 20 0 JIADRO COCC(C)(C)CCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001315759663 1065068013 /nfs/dbraw/zinc/06/80/13/1065068013.db2.gz DCEWCRKYIXKZBZ-PKTZIBPZSA-N 1 0 461.695 4.327 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315765813 1065083693 /nfs/dbraw/zinc/08/36/93/1065083693.db2.gz URHMCZQRSMBROW-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO COC[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315777139 1065104448 /nfs/dbraw/zinc/10/44/48/1065104448.db2.gz PTZUUQOCWAQBJW-FSSWDIPSSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315778557 1065107422 /nfs/dbraw/zinc/10/74/22/1065107422.db2.gz SANVQOXVJCSXPN-BHIFYINESA-N 1 0 455.647 4.327 20 0 JIADRO 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VPECMUUYDKZHSH-UHFFFAOYSA-N 1 0 455.647 4.320 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001316233002 1065961036 /nfs/dbraw/zinc/96/10/36/1065961036.db2.gz GGQGQGGCHBDWAG-DNQXCXABSA-N 1 0 469.674 4.215 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316234407 1065964408 /nfs/dbraw/zinc/96/44/08/1065964408.db2.gz LKQFIIGWRKDZKP-DHIUTWEWSA-N 1 0 455.647 4.006 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001316239395 1065976420 /nfs/dbraw/zinc/97/64/20/1065976420.db2.gz RKBVLGOKNPCMIK-QFIPXVFZSA-N 1 0 488.032 4.435 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C/C(C)=C\c2ccccc2)n1CC[NH+]1CCCCC1 ZINC001316270057 1066013692 /nfs/dbraw/zinc/01/36/92/1066013692.db2.gz SOOIGZMEEYHZHG-GALUDREOSA-N 1 0 453.631 4.028 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316272088 1066018581 /nfs/dbraw/zinc/01/85/81/1066018581.db2.gz NNWBBBFIWQAEKB-UGKGYDQZSA-N 1 0 477.600 4.181 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316273234 1066020580 /nfs/dbraw/zinc/02/05/80/1066020580.db2.gz HSGSVNAJYOJLPI-OPHFCASCSA-N 1 0 499.700 4.466 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316273434 1066021634 /nfs/dbraw/zinc/02/16/34/1066021634.db2.gz QEZRXQXJLLRNKV-JBPLPALLSA-N 1 0 461.676 4.381 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316273812 1066021949 /nfs/dbraw/zinc/02/19/49/1066021949.db2.gz RFOLKDUZGCPHJT-SHBJFUFKSA-N 1 0 473.637 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001316285033 1066041541 /nfs/dbraw/zinc/04/15/41/1066041541.db2.gz JQPZTBWYLOWEEF-ZWOKBUDYSA-N 1 0 472.461 4.166 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001316288227 1066046371 /nfs/dbraw/zinc/04/63/71/1066046371.db2.gz WGCKWWBJSOQQIK-HJOGWXRNSA-N 1 0 491.721 4.156 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001316289054 1066047487 /nfs/dbraw/zinc/04/74/87/1066047487.db2.gz GTARMSZONZWFFT-UNMCSNQZSA-N 1 0 477.600 4.083 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001316289780 1066048699 /nfs/dbraw/zinc/04/86/99/1066048699.db2.gz HFBBBPYCZREZQL-NSHGMRRFSA-N 1 0 473.584 4.045 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001316291105 1066051069 /nfs/dbraw/zinc/05/10/69/1066051069.db2.gz CYMORGWULUMOBV-DVKRWUGUSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001316292706 1066054308 /nfs/dbraw/zinc/05/43/08/1066054308.db2.gz CGTKENAYKDBMKA-AHWVRZQESA-N 1 0 498.716 4.064 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001316294599 1066055879 /nfs/dbraw/zinc/05/58/79/1066055879.db2.gz BBINFPGOAWECLX-PUHATCMVSA-N 1 0 455.647 4.035 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001316294762 1066056339 /nfs/dbraw/zinc/05/63/39/1066056339.db2.gz WDLGPCKIAGGCPW-BVSLBCMMSA-N 1 0 459.610 4.071 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001316296002 1066056977 /nfs/dbraw/zinc/05/69/77/1066056977.db2.gz QWZWHULGXGQDPS-FPOVZHCZSA-N 1 0 477.600 4.083 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCOc1c(C)cccc1C ZINC001316296637 1066057526 /nfs/dbraw/zinc/05/75/26/1066057526.db2.gz KDXFRPZVQUREMX-ZCYQVOJMSA-N 1 0 499.700 4.256 20 0 JIADRO CON(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316300601 1066060430 /nfs/dbraw/zinc/06/04/30/1066060430.db2.gz AEQIOMFCWCAYLB-UHFFFAOYSA-N 1 0 473.419 4.078 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316301954 1066062245 /nfs/dbraw/zinc/06/22/45/1066062245.db2.gz RXBLIYYYIYHRJQ-ZJZGAYNASA-N 1 0 487.714 4.191 20 0 JIADRO CON(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001316303664 1066064359 /nfs/dbraw/zinc/06/43/59/1066064359.db2.gz ZAOOQSDJPAOICG-HUUCEWRRSA-N 1 0 450.008 4.310 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316315153 1066071820 /nfs/dbraw/zinc/07/18/20/1066071820.db2.gz ZLUWJWFXZLYROH-STZQEDGTSA-N 1 0 462.038 4.417 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC[NH+](C(C)C)C(C)C)C[C@H]12 ZINC001316320276 1066075419 /nfs/dbraw/zinc/07/54/19/1066075419.db2.gz MVRMUBGSPLTDPC-IMFGXOCKSA-N 1 0 479.467 4.016 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316323117 1066079456 /nfs/dbraw/zinc/07/94/56/1066079456.db2.gz WWIQFNZCNJTGPW-QHAWAJNXSA-N 1 0 453.587 4.156 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001316323982 1066080558 /nfs/dbraw/zinc/08/05/58/1066080558.db2.gz GGFBYWRZGYHMLE-KRWDZBQOSA-N 1 0 480.426 4.336 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001316327884 1066083729 /nfs/dbraw/zinc/08/37/29/1066083729.db2.gz BOBUZTAXIPZEIC-NQIIRXRSSA-N 1 0 492.462 4.109 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1OC ZINC001316332037 1066087788 /nfs/dbraw/zinc/08/77/88/1066087788.db2.gz XRZLANUHGVBTHT-ORYQWCPZSA-N 1 0 482.456 4.222 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1OC ZINC001316333944 1066088799 /nfs/dbraw/zinc/08/87/99/1066088799.db2.gz KKRPTKQFVZKDSX-GVXSCFBNSA-N 1 0 499.700 4.269 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1OC ZINC001316333951 1066088913 /nfs/dbraw/zinc/08/89/13/1066088913.db2.gz KOTSJHYSEJWNGB-PLQXJYEYSA-N 1 0 499.700 4.127 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1OC ZINC001316334846 1066089313 /nfs/dbraw/zinc/08/93/13/1066089313.db2.gz YURWEKJNBFWKNS-AJSBUHFISA-N 1 0 476.065 4.027 20 0 JIADRO CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001316362951 1066099202 /nfs/dbraw/zinc/09/92/02/1066099202.db2.gz IBEGTITZYGVKFI-TZIWHRDSSA-N 1 0 472.703 4.047 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316380331 1066148680 /nfs/dbraw/zinc/14/86/80/1066148680.db2.gz YOOUEUKGBHTAIJ-ZBFHGGJFSA-N 1 0 468.440 4.273 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001316380366 1066148765 /nfs/dbraw/zinc/14/87/65/1066148765.db2.gz ZDKRXFGYBWWPRV-NPPFBWRTSA-N 1 0 471.650 4.089 20 0 JIADRO CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316382551 1066150954 /nfs/dbraw/zinc/15/09/54/1066150954.db2.gz PRTFYQXOZRHAKX-IRLDBZIGSA-N 1 0 450.656 4.358 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001316382777 1066151573 /nfs/dbraw/zinc/15/15/73/1066151573.db2.gz JIUIIGGFQDVBDV-SFHVURJKSA-N 1 0 456.685 4.016 20 0 JIADRO CS[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316389045 1066161562 /nfs/dbraw/zinc/16/15/62/1066161562.db2.gz YREWYFOGBQEOOU-UXHICEINSA-N 1 0 490.743 4.114 20 0 JIADRO CS[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)C(C)(C)C ZINC001316394281 1066169874 /nfs/dbraw/zinc/16/98/74/1066169874.db2.gz HYWCEVPPMREWPT-OAQYLSRUSA-N 1 0 492.684 4.266 20 0 JIADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316402509 1066181168 /nfs/dbraw/zinc/18/11/68/1066181168.db2.gz QWAZUMVPYSWIEO-CALCHBBNSA-N 1 0 450.052 4.040 20 0 JIADRO CSC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCCCO)CC[NH+](C)CC1 ZINC001316402623 1066181442 /nfs/dbraw/zinc/18/14/42/1066181442.db2.gz VOINEAFEHCVJTJ-UHFFFAOYSA-N 1 0 496.519 4.134 20 0 JIADRO CSC1(Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316404727 1066186749 /nfs/dbraw/zinc/18/67/49/1066186749.db2.gz PUXKUDNZBUEIDX-TYFQNXAESA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC001316404646 1066186786 /nfs/dbraw/zinc/18/67/86/1066186786.db2.gz BDQUAETWXMGNLS-UHFFFAOYSA-N 1 0 491.105 4.491 20 0 JIADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CC(F)(F)C2)CC[NH+](C)CC1 ZINC001316407333 1066190880 /nfs/dbraw/zinc/19/08/80/1066190880.db2.gz OESALPHVRJCOOM-UHFFFAOYSA-N 1 0 485.595 4.456 20 0 JIADRO CSC1(Cn2c(N(C)Cc3ccccc3C)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411927 1066201874 /nfs/dbraw/zinc/20/18/74/1066201874.db2.gz XGVPNAHNQVAMDR-AREMUKBSSA-N 1 0 487.714 4.091 20 0 JIADRO CSC1(Cn2c(N(C)Cc3ccccc3C)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411928 1066201915 /nfs/dbraw/zinc/20/19/15/1066201915.db2.gz XGVPNAHNQVAMDR-SANMLTNESA-N 1 0 487.714 4.091 20 0 JIADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC(C)(C)[C@H]2C)CC[NH+](C)CC1 ZINC001316412530 1066203124 /nfs/dbraw/zinc/20/31/24/1066203124.db2.gz OLUNJMCTDFBBJG-VAMGGRTRSA-N 1 0 479.735 4.028 20 0 JIADRO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324857416 1066231197 /nfs/dbraw/zinc/23/11/97/1066231197.db2.gz JJTZTPJVZIQQKE-AEFFLSMTSA-N 1 0 468.648 4.382 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001316422347 1066231225 /nfs/dbraw/zinc/23/12/25/1066231225.db2.gz LZVHBQVXBWENTB-QHCPKHFHSA-N 1 0 457.688 4.128 20 0 JIADRO O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001324978056 1066234178 /nfs/dbraw/zinc/23/41/78/1066234178.db2.gz DPUSNPVOMCYCKV-OAQYLSRUSA-N 1 0 471.605 4.288 20 0 JIADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)C1 ZINC001316425359 1066242625 /nfs/dbraw/zinc/24/26/25/1066242625.db2.gz GLWVZALAZXHHLB-RTWAWAEBSA-N 1 0 492.734 4.210 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316425976 1066245282 /nfs/dbraw/zinc/24/52/82/1066245282.db2.gz KUMXUKALFQPKRA-MOPGFXCFSA-N 1 0 453.722 4.069 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001316427199 1066250276 /nfs/dbraw/zinc/25/02/76/1066250276.db2.gz MAVUQHUNRGVHPM-WIYYLYMNSA-N 1 0 474.078 4.357 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316429324 1066259664 /nfs/dbraw/zinc/25/96/64/1066259664.db2.gz DFMZAEZIYMZHLJ-AZUAARDMSA-N 1 0 490.743 4.112 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001325684566 1066261422 /nfs/dbraw/zinc/26/14/22/1066261422.db2.gz MYWCZDJEOVSLCO-UHFFFAOYSA-N 1 0 458.587 4.339 20 0 JIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001325687273 1066263285 /nfs/dbraw/zinc/26/32/85/1066263285.db2.gz VRJKAZSRQGXRQQ-UHFFFAOYSA-N 1 0 485.613 4.207 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492500003 1066277292 /nfs/dbraw/zinc/27/72/92/1066277292.db2.gz LTNXWJSDWHNTCQ-WMZOPIPTSA-N 1 0 490.578 4.158 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492500001 1066277557 /nfs/dbraw/zinc/27/75/57/1066277557.db2.gz LTNXWJSDWHNTCQ-FUHWJXTLSA-N 1 0 490.578 4.158 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 ZINC001326379000 1066294044 /nfs/dbraw/zinc/29/40/44/1066294044.db2.gz BBPFKHRZUOJTFN-UHFFFAOYSA-N 1 0 476.646 4.391 20 0 JIADRO Cc1csc(SCc2ccc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc2)n1 ZINC001326383555 1066295095 /nfs/dbraw/zinc/29/50/95/1066295095.db2.gz LBYJKNMUFTWQSC-UHFFFAOYSA-N 1 0 452.649 4.426 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001316440019 1066296945 /nfs/dbraw/zinc/29/69/45/1066296945.db2.gz PQUFIQXKJZBSFB-PCCBWWKXSA-N 1 0 492.734 4.065 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001316440037 1066297622 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/nfs/dbraw/zinc/32/27/96/1066322796.db2.gz RGKALXFRGCENRJ-DHIUTWEWSA-N 1 0 490.696 4.446 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CCOc3cc(Cl)ccc3Cl)CC2)cc1 ZINC001328634818 1066328034 /nfs/dbraw/zinc/32/80/34/1066328034.db2.gz LTDBMGZXSSRKJT-UHFFFAOYSA-N 1 0 495.403 4.049 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1([NH+](C)C)CCCCC1 ZINC001316450783 1066329421 /nfs/dbraw/zinc/32/94/21/1066329421.db2.gz OQEMESDYDVQWOM-FQEVSTJZSA-N 1 0 469.703 4.359 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492507009 1066330053 /nfs/dbraw/zinc/33/00/53/1066330053.db2.gz WAZBRCYTKWWNJG-JOCHJYFZSA-N 1 0 495.716 4.290 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)C2)ccn1 ZINC001328858933 1066330786 /nfs/dbraw/zinc/33/07/86/1066330786.db2.gz TZOYWSIFBMJUIL-GOTSBHOMSA-N 1 0 474.646 4.081 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492507556 1066331348 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ZINC001492511190 1066344228 /nfs/dbraw/zinc/34/42/28/1066344228.db2.gz QOGAXKUDRAIABN-FUPPJEDESA-N 1 0 454.663 4.268 20 0 JIADRO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001330226287 1066348233 /nfs/dbraw/zinc/34/82/33/1066348233.db2.gz VEKFUSZNQSBJOS-GMQQYTKMSA-N 1 0 468.601 4.250 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492512021 1066349423 /nfs/dbraw/zinc/34/94/23/1066349423.db2.gz SSGASHJKTZFMOK-OAQYLSRUSA-N 1 0 497.688 4.264 20 0 JIADRO CSCCCCn1c(CC(C)(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316460084 1066353725 /nfs/dbraw/zinc/35/37/25/1066353725.db2.gz CHAKQUSAGMYREZ-BGYRXZFFSA-N 1 0 451.725 4.336 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3sc4cccc(F)c4c3C)C2)ccn1 ZINC001331003772 1066355219 /nfs/dbraw/zinc/35/52/19/1066355219.db2.gz UHKWZNCRGJHHRK-GOSISDBHSA-N 1 0 463.600 4.038 20 0 JIADRO CSCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316461076 1066356290 /nfs/dbraw/zinc/35/62/90/1066356290.db2.gz AEPRQFPKIGCAFV-NRFANRHFSA-N 1 0 461.651 4.167 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001492514925 1066357092 /nfs/dbraw/zinc/35/70/92/1066357092.db2.gz WVILAAZOTONKSJ-REWPJTCUSA-N 1 0 495.697 4.002 20 0 JIADRO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316462887 1066360033 /nfs/dbraw/zinc/36/00/33/1066360033.db2.gz JWYSQOZTVFZCPV-FYYLOGMGSA-N 1 0 457.688 4.416 20 0 JIADRO CSCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316462888 1066360373 /nfs/dbraw/zinc/36/03/73/1066360373.db2.gz JWYSQOZTVFZCPV-GGAORHGYSA-N 1 0 457.688 4.416 20 0 JIADRO CSCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316464277 1066363172 /nfs/dbraw/zinc/36/31/72/1066363172.db2.gz XDLDWDPYSHOFDH-OAQYLSRUSA-N 1 0 494.750 4.456 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@](C)(O)c2ccccc2)n1 ZINC001492516714 1066365807 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AUJWFBINCKEIIZ-AOIWGVFYSA-N 1 0 450.052 4.498 20 0 JIADRO CSCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001316471441 1066378368 /nfs/dbraw/zinc/37/83/68/1066378368.db2.gz AUJWFBINCKEIIZ-LNLFQRSKSA-N 1 0 450.052 4.498 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCSCC(C)C)n1 ZINC001492519095 1066381860 /nfs/dbraw/zinc/38/18/60/1066381860.db2.gz BTUHOZKVDGWQKM-UHFFFAOYSA-N 1 0 464.683 4.402 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001333165631 1066384285 /nfs/dbraw/zinc/38/42/85/1066384285.db2.gz HTTJAUQXYIOUEV-XZOQPEGZSA-N 1 0 473.459 4.403 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316486452 1066406595 /nfs/dbraw/zinc/40/65/95/1066406595.db2.gz AFMOPZZHFSKAQN-DYESRHJHSA-N 1 0 489.064 4.384 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)C[C@@H]1F ZINC001316489613 1066422109 /nfs/dbraw/zinc/42/21/09/1066422109.db2.gz QJSPMEAXQKVUBX-VSKRKVRLSA-N 1 0 492.684 4.453 20 0 JIADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001316494860 1066439684 /nfs/dbraw/zinc/43/96/84/1066439684.db2.gz PNNPYBFYJZVUDE-HXUWFJFHSA-N 1 0 485.677 4.279 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCC2)C[C@H](C)C1(F)F ZINC001316500416 1066459964 /nfs/dbraw/zinc/45/99/64/1066459964.db2.gz JLHRAYLJUGQBCZ-IYBDPMFKSA-N 1 0 453.528 4.359 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCOc1cccc(Cl)c1 ZINC001316505484 1066479342 /nfs/dbraw/zinc/47/93/42/1066479342.db2.gz YGDQKBFFEDNNST-IBGZPJMESA-N 1 0 476.065 4.289 20 0 JIADRO FC(F)(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316508424 1066488078 /nfs/dbraw/zinc/48/80/78/1066488078.db2.gz KGYYCYZMYAMNIM-IAGOWNOFSA-N 1 0 476.410 4.210 20 0 JIADRO FC(F)(F)[C@H]1CN(c2nnc(-c3cccnc3)n2CCCCCCC[NH+]2CCCC2)CCO1 ZINC001316509249 1066491059 /nfs/dbraw/zinc/49/10/59/1066491059.db2.gz BQGSJDRILFNHPP-HXUWFJFHSA-N 1 0 466.552 4.154 20 0 JIADRO FC(F)(F)CO[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCCC2)C1 ZINC001316515186 1066509032 /nfs/dbraw/zinc/50/90/32/1066509032.db2.gz QKOLHCZRJAVJDJ-JOCHJYFZSA-N 1 0 479.591 4.487 20 0 JIADRO FC(F)(F)OCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316515300 1066509521 /nfs/dbraw/zinc/50/95/21/1066509521.db2.gz KRWIBKQIAGPILU-UHFFFAOYSA-N 1 0 485.601 4.283 20 0 JIADRO FC(F)(F)OCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001316515931 1066511836 /nfs/dbraw/zinc/51/18/36/1066511836.db2.gz RVTYVKWIEJHJCG-GOSISDBHSA-N 1 0 457.566 4.169 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001338003622 1066524419 /nfs/dbraw/zinc/52/44/19/1066524419.db2.gz CQRSWRGAWMUMIJ-NRFANRHFSA-N 1 0 457.640 4.183 20 0 JIADRO COc1ccc(OCc2nn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c(=S)n2-c2ccccc2F)cc1 ZINC001338076781 1066529033 /nfs/dbraw/zinc/52/90/33/1066529033.db2.gz RGGRSXJAEKRQTD-LJQANCHMSA-N 1 0 483.613 4.258 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CC=CCC1 ZINC001316525690 1066540338 /nfs/dbraw/zinc/54/03/38/1066540338.db2.gz KPBHCNLSLAZRHL-HXUWFJFHSA-N 1 0 495.565 4.455 20 0 JIADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001338306359 1066543810 /nfs/dbraw/zinc/54/38/10/1066543810.db2.gz GZRJNSGSAWUFHO-UHFFFAOYSA-N 1 0 450.608 4.198 20 0 JIADRO Fc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001316529324 1066547812 /nfs/dbraw/zinc/54/78/12/1066547812.db2.gz UQZGAZIEFNEBCO-QGZVFWFLSA-N 1 0 455.500 4.118 20 0 JIADRO COc1ccc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1NC(=O)OC(C)(C)C ZINC001338478391 1066558156 /nfs/dbraw/zinc/55/81/56/1066558156.db2.gz SOFUZDITTYYPFD-UHFFFAOYSA-N 1 0 483.613 4.111 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC001338514931 1066560732 /nfs/dbraw/zinc/56/07/32/1066560732.db2.gz UWYITISGBPDFJM-HSZRJFAPSA-N 1 0 496.615 4.046 20 0 JIADRO NC(=O)CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001316547527 1066565117 /nfs/dbraw/zinc/56/51/17/1066565117.db2.gz KNUPERIRGUCLAZ-UHFFFAOYSA-N 1 0 477.028 4.096 20 0 JIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC001338750930 1066570865 /nfs/dbraw/zinc/57/08/65/1066570865.db2.gz IJPQPQQTZUHFFL-UHFFFAOYSA-N 1 0 491.613 4.391 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(=O)N4CCCC4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492535861 1066586003 /nfs/dbraw/zinc/58/60/03/1066586003.db2.gz AWPLVARBZFCQAI-UHFFFAOYSA-N 1 0 481.689 4.022 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492537605 1066594382 /nfs/dbraw/zinc/59/43/82/1066594382.db2.gz CSPDYWBGDRRFFC-NTKDMRAZSA-N 1 0 486.711 4.299 20 0 JIADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001343275008 1066607031 /nfs/dbraw/zinc/60/70/31/1066607031.db2.gz ZDJUOZDMKCYACU-MRXNPFEDSA-N 1 0 450.988 4.476 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492539944 1066627190 /nfs/dbraw/zinc/62/71/90/1066627190.db2.gz PFZFNVXMSBIHOV-JOCHJYFZSA-N 1 0 455.647 4.293 20 0 JIADRO COC(=O)c1cccc2c(C[NH+]3CCC(O)(Cc4nc(C(C)(C)C)cs4)CC3)ccnc12 ZINC001474665479 1066627976 /nfs/dbraw/zinc/62/79/76/1066627976.db2.gz GBGLYRHBUFFNHO-UHFFFAOYSA-N 1 0 453.608 4.345 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001492544469 1066682703 /nfs/dbraw/zinc/68/27/03/1066682703.db2.gz PSGGCPUNKPUFSL-DEOSSOPVSA-N 1 0 455.647 4.149 20 0 JIADRO CC1=C(C(=O)N(C)C)[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)NC(=S)N1c1ccccc1F ZINC001317815968 1066705602 /nfs/dbraw/zinc/70/56/02/1066705602.db2.gz URDGTJIMMNIZGA-DEOSSOPVSA-N 1 0 482.625 4.098 20 0 JIADRO Cn1nc(C(C)(C)C)cc1NC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001317828948 1066714709 /nfs/dbraw/zinc/71/47/09/1066714709.db2.gz CUZQVGMUDJOLJL-UHFFFAOYSA-N 1 0 480.579 4.460 20 0 JIADRO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001317834536 1066719671 /nfs/dbraw/zinc/71/96/71/1066719671.db2.gz AWDHHVBLWKWJGT-UHFFFAOYSA-N 1 0 479.602 4.368 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC001348283124 1066733599 /nfs/dbraw/zinc/73/35/99/1066733599.db2.gz KZVHQRXCMVWPJZ-VWLOTQADSA-N 1 0 451.611 4.267 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317889516 1066758834 /nfs/dbraw/zinc/75/88/34/1066758834.db2.gz OVXBGABNNVSHLF-RTBURBONSA-N 1 0 490.570 4.413 20 0 JIADRO CC(C)(C)[NH+]1CCN(Cn2nc(CN3CCCCC3)n(-c3ccc(OC(F)F)cc3)c2=S)CC1 ZINC001317902325 1066771763 /nfs/dbraw/zinc/77/17/63/1066771763.db2.gz QBKKUPUBEUGEML-UHFFFAOYSA-N 1 0 494.656 4.364 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c2cccs2)CC1 ZINC001317903497 1066772870 /nfs/dbraw/zinc/77/28/70/1066772870.db2.gz KMBHOIKHHJUGCP-HSZRJFAPSA-N 1 0 494.661 4.239 20 0 JIADRO Cc1ccccc1N1C(=S)N[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)C(C(=O)N(C)C)=C1C ZINC001317903948 1066773387 /nfs/dbraw/zinc/77/33/87/1066773387.db2.gz UIAJZVYSYIRLEE-RUZDIDTESA-N 1 0 478.662 4.268 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001317904134 1066773922 /nfs/dbraw/zinc/77/39/22/1066773922.db2.gz JVZYWLIOALOIPE-PMACEKPBSA-N 1 0 462.594 4.407 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001317904137 1066773976 /nfs/dbraw/zinc/77/39/76/1066773976.db2.gz JVZYWLIOALOIPE-VQTJNVASSA-N 1 0 462.594 4.407 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317910845 1066780583 /nfs/dbraw/zinc/78/05/83/1066780583.db2.gz QDGGVWGBAUTGTN-GOSISDBHSA-N 1 0 476.543 4.167 20 0 JIADRO O[C@H](C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)COc1cccc(Br)c1 ZINC001348968022 1066794820 /nfs/dbraw/zinc/79/48/20/1066794820.db2.gz VYYAZBRKXKESRP-DENIHFKCSA-N 1 0 456.384 4.101 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)nnn1-c1cccc(Cl)c1 ZINC001349216113 1066820709 /nfs/dbraw/zinc/82/07/09/1066820709.db2.gz VQERYHOXUNPGGE-UHFFFAOYSA-N 1 0 452.990 4.186 20 0 JIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001317970445 1066822372 /nfs/dbraw/zinc/82/23/72/1066822372.db2.gz QLOAAPGKTVSUSB-UHFFFAOYSA-N 1 0 466.626 4.418 20 0 JIADRO COc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccc1OC(C)C ZINC001349245919 1066823389 /nfs/dbraw/zinc/82/33/89/1066823389.db2.gz ZAXZCYZLVXVXLC-LOSJGSFVSA-N 1 0 459.590 4.409 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2nccs2)c1 ZINC001492546673 1066830827 /nfs/dbraw/zinc/83/08/27/1066830827.db2.gz ZIHCIOIUVUKDTG-UHFFFAOYSA-N 1 0 454.644 4.175 20 0 JIADRO C[C@H]1C[C@@H](C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc4ccccc4c3)cc2)CC[N@@H+]1C ZINC001349559886 1066853766 /nfs/dbraw/zinc/85/37/66/1066853766.db2.gz AUZASBBZGDDEHG-RXVVDRJESA-N 1 0 452.576 4.301 20 0 JIADRO O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318061976 1066878802 /nfs/dbraw/zinc/87/88/02/1066878802.db2.gz XFYNCNWGMZYISB-QGZVFWFLSA-N 1 0 468.406 4.105 20 0 JIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001318068744 1066882890 /nfs/dbraw/zinc/88/28/90/1066882890.db2.gz UQPRYHGVYLAZTM-UHFFFAOYSA-N 1 0 458.562 4.346 20 0 JIADRO O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318074642 1066886373 /nfs/dbraw/zinc/88/63/73/1066886373.db2.gz VGNNFRGLTRIKGX-AREMUKBSSA-N 1 0 489.641 4.392 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC001350017969 1066906605 /nfs/dbraw/zinc/90/66/05/1066906605.db2.gz KBWYRIAPFWLFHH-HOTGVXAUSA-N 1 0 467.517 4.381 20 0 JIADRO Cc1cc(NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC001318124934 1066912202 /nfs/dbraw/zinc/91/22/02/1066912202.db2.gz HDQCYGMXZIIFGP-UHFFFAOYSA-N 1 0 459.635 4.096 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC001318139794 1066919157 /nfs/dbraw/zinc/91/91/57/1066919157.db2.gz DPNXFONBLVJAMF-NHCUHLMSSA-N 1 0 496.652 4.320 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001318142020 1066921809 /nfs/dbraw/zinc/92/18/09/1066921809.db2.gz WJPLOMXMBXWMOR-OAHLLOKOSA-N 1 0 470.422 4.256 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1 ZINC001350351220 1066946111 /nfs/dbraw/zinc/94/61/11/1066946111.db2.gz GHVNGWHPSHPGDM-FMIVXFBMSA-N 1 0 455.356 4.227 20 0 JIADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318217117 1066965614 /nfs/dbraw/zinc/96/56/14/1066965614.db2.gz YMASWQXBTKIFKP-UHFFFAOYSA-N 1 0 462.600 4.224 20 0 JIADRO Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccc(CN5CC[NH+](C)CC5)c4)cc3)o2)cc1 ZINC001318225883 1066970561 /nfs/dbraw/zinc/97/05/61/1066970561.db2.gz XDGGPASVUKJMNZ-UHFFFAOYSA-N 1 0 481.600 4.389 20 0 JIADRO CC(C)c1cccc(-c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)NCC[NH+](C)C)o2)c1 ZINC001350628061 1066980946 /nfs/dbraw/zinc/98/09/46/1066980946.db2.gz GKQITHMUEUICDI-XMMPIXPASA-N 1 0 459.590 4.315 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCc2cc3cccc(OC)c3o2)CC1 ZINC001318251405 1066984655 /nfs/dbraw/zinc/98/46/55/1066984655.db2.gz UTVOEIQSYCRALQ-QGZVFWFLSA-N 1 0 454.546 4.283 20 0 JIADRO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318261989 1066989125 /nfs/dbraw/zinc/98/91/25/1066989125.db2.gz FZTAOKUVELXSAP-UHFFFAOYSA-N 1 0 483.016 4.264 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](C[C@H]3CCCO3)C(F)(F)F)c(C(F)(F)F)c2)CC1 ZINC001350690603 1066989545 /nfs/dbraw/zinc/98/95/45/1066989545.db2.gz GXHRQIMULMKMAV-ZBFHGGJFSA-N 1 0 453.427 4.143 20 0 JIADRO COc1cccc2cc(CNC(=O)NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)oc21 ZINC001318280183 1066999562 /nfs/dbraw/zinc/99/95/62/1066999562.db2.gz FQDKCGWWGVWDOX-UHFFFAOYSA-N 1 0 450.583 4.151 20 0 JIADRO CC[NH+](CC)C1CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001318287158 1067003080 /nfs/dbraw/zinc/00/30/80/1067003080.db2.gz SIURNHCNJQBTDQ-UHFFFAOYSA-N 1 0 458.447 4.068 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001300682506 1067017897 /nfs/dbraw/zinc/01/78/97/1067017897.db2.gz CWLBXUXNLBUHCY-SANMLTNESA-N 1 0 487.714 4.298 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CC1 ZINC001318325585 1067018352 /nfs/dbraw/zinc/01/83/52/1067018352.db2.gz CJXYGPWSWFKUOT-UHFFFAOYSA-N 1 0 451.611 4.033 20 0 JIADRO COc1ccc(COc2cccc(F)c2)cc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318326600 1067018941 /nfs/dbraw/zinc/01/89/41/1067018941.db2.gz ODPPIKUMOWBRIN-UHFFFAOYSA-N 1 0 478.568 4.487 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)[NH+]1CCCCC1 ZINC001318335132 1067021777 /nfs/dbraw/zinc/02/17/77/1067021777.db2.gz JZTYKJJHRXLXLH-RSXGOPAZSA-N 1 0 476.621 4.380 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC001318337762 1067022246 /nfs/dbraw/zinc/02/22/46/1067022246.db2.gz BEBKBSMFCIJADJ-UHFFFAOYSA-N 1 0 451.655 4.466 20 0 JIADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318343559 1067025575 /nfs/dbraw/zinc/02/55/75/1067025575.db2.gz ZSKLEINZXNMUGO-FQEVSTJZSA-N 1 0 475.376 4.433 20 0 JIADRO C[C@@]1(c2cccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccs3)c2)NC(=O)NC1=O ZINC001318347053 1067026699 /nfs/dbraw/zinc/02/66/99/1067026699.db2.gz UWZYTEGFCGAZFC-SANMLTNESA-N 1 0 471.586 4.004 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355328 1067029884 /nfs/dbraw/zinc/02/98/84/1067029884.db2.gz UYHWAULQIVDIID-XXBNENTESA-N 1 0 464.610 4.348 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC001351002872 1067030413 /nfs/dbraw/zinc/03/04/13/1067030413.db2.gz OGXTUUBRNHWKIM-UHFFFAOYSA-N 1 0 458.360 4.207 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC1 ZINC001318362354 1067031448 /nfs/dbraw/zinc/03/14/48/1067031448.db2.gz HRNCWDOWAAQGIQ-UHFFFAOYSA-N 1 0 467.614 4.498 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC001318381487 1067035449 /nfs/dbraw/zinc/03/54/49/1067035449.db2.gz NYKNKUGRGHXOIK-MUUNZHRXSA-N 1 0 470.617 4.352 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)c(C(F)(F)F)c2)CC1 ZINC001354671948 1067035541 /nfs/dbraw/zinc/03/55/41/1067035541.db2.gz DDVHZWFPCDKDKD-WMLDXEAASA-N 1 0 453.427 4.286 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)c(C(F)(F)F)c2)CC1 ZINC001354672433 1067035944 /nfs/dbraw/zinc/03/59/44/1067035944.db2.gz IWFWXYAUDDDTCQ-UHFFFAOYSA-N 1 0 450.486 4.355 20 0 JIADRO CC[NH+](CC)C1CCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 ZINC001318388956 1067036398 /nfs/dbraw/zinc/03/63/98/1067036398.db2.gz ZTXSHNGSDMDYHG-UHFFFAOYSA-N 1 0 458.447 4.068 20 0 JIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354680010 1067039007 /nfs/dbraw/zinc/03/90/07/1067039007.db2.gz CRDLJNUDYMFLCV-SFHVURJKSA-N 1 0 451.546 4.289 20 0 JIADRO CC1=C(C(=O)N(C)C)[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)NC(=S)N1c1ccc(F)cc1 ZINC001318438639 1067043314 /nfs/dbraw/zinc/04/33/14/1067043314.db2.gz AEGGGPXZNNPEFM-DEOSSOPVSA-N 1 0 482.625 4.098 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)C2)ccn1 ZINC001351117733 1067047843 /nfs/dbraw/zinc/04/78/43/1067047843.db2.gz ORSYOBZDEUVQRX-JOCHJYFZSA-N 1 0 468.001 4.269 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC001318910768 1067061431 /nfs/dbraw/zinc/06/14/31/1067061431.db2.gz PQPOQQXKFCYUGQ-UHFFFAOYSA-N 1 0 450.004 4.087 20 0 JIADRO COc1ccncc1Cn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001300701575 1067061770 /nfs/dbraw/zinc/06/17/70/1067061770.db2.gz CXZNFWZQTSGORR-FQEVSTJZSA-N 1 0 486.414 4.368 20 0 JIADRO COc1ccncc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001300701557 1067061903 /nfs/dbraw/zinc/06/19/03/1067061903.db2.gz CTWAPQYJDZAFPM-AZUAARDMSA-N 1 0 451.571 4.333 20 0 JIADRO COc1ncccc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300702198 1067064172 /nfs/dbraw/zinc/06/41/72/1067064172.db2.gz HALOOYDSPFLCCA-UHFFFAOYSA-N 1 0 499.457 4.435 20 0 JIADRO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCCC2)cc1 ZINC001354728638 1067065257 /nfs/dbraw/zinc/06/52/57/1067065257.db2.gz CBERFTSRAWAGNH-QPPBQGQZSA-N 1 0 454.636 4.108 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001351288028 1067071110 /nfs/dbraw/zinc/07/11/10/1067071110.db2.gz KOVKPSCAAGVPOL-JTHBVZDNSA-N 1 0 455.599 4.460 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001354775507 1067092092 /nfs/dbraw/zinc/09/20/92/1067092092.db2.gz GDVNRBHOOKDYRP-HSZRJFAPSA-N 1 0 452.599 4.423 20 0 JIADRO COC1CCC(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300720293 1067104180 /nfs/dbraw/zinc/10/41/80/1067104180.db2.gz BCCZPLIXYIPGNI-YMISUZCDSA-N 1 0 459.610 4.293 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC001351506466 1067111402 /nfs/dbraw/zinc/11/14/02/1067111402.db2.gz VZGSGGJAFOBCAM-GHXNOFRVSA-N 1 0 453.564 4.420 20 0 JIADRO COC1CCC(CCn2c(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)nnc2C(C)(C)C)CC1 ZINC001300722297 1067118738 /nfs/dbraw/zinc/11/87/38/1067118738.db2.gz WRQIPHGOEDLWQZ-SSPWFOHLSA-N 1 0 474.738 4.166 20 0 JIADRO CO[C@@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC001351594115 1067137824 /nfs/dbraw/zinc/13/78/24/1067137824.db2.gz KDYPJXZGAVFALJ-LJQANCHMSA-N 1 0 452.780 4.181 20 0 JIADRO COC1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300731454 1067165112 /nfs/dbraw/zinc/16/51/12/1067165112.db2.gz NDFYVQWOHIANIR-UHFFFAOYSA-N 1 0 455.647 4.210 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1C ZINC001321589958 1067172891 /nfs/dbraw/zinc/17/28/91/1067172891.db2.gz NZCAOGWXCLYNDQ-UHFFFAOYSA-N 1 0 458.628 4.195 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001321596325 1067174450 /nfs/dbraw/zinc/17/44/50/1067174450.db2.gz OHAHPBWAVGAAMT-JOCHJYFZSA-N 1 0 490.435 4.058 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001321616288 1067176930 /nfs/dbraw/zinc/17/69/30/1067176930.db2.gz UYYRGSWQSHVKBG-WOJBJXKFSA-N 1 0 485.650 4.210 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC001321619475 1067177567 /nfs/dbraw/zinc/17/75/67/1067177567.db2.gz VTNQAKQHJUQJAF-VWLOTQADSA-N 1 0 451.517 4.153 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001351739347 1067186070 /nfs/dbraw/zinc/18/60/70/1067186070.db2.gz QAXFSUIECGKDGE-FQEVSTJZSA-N 1 0 451.611 4.379 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CCC([NH+]2CCC2)CC1 ZINC001200801374 1067201044 /nfs/dbraw/zinc/20/10/44/1067201044.db2.gz GYLZABZSWKSUHK-UHFFFAOYSA-N 1 0 451.203 4.218 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(-c3cccc(OC)c3)no2)CC1 ZINC001351779098 1067203132 /nfs/dbraw/zinc/20/31/32/1067203132.db2.gz DPTUIXDQKKGWAP-KRWDZBQOSA-N 1 0 452.530 4.122 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001200804974 1067223709 /nfs/dbraw/zinc/22/37/09/1067223709.db2.gz NKGPHVXKJRKZPA-JTQLQIEISA-N 1 0 451.203 4.264 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC001351884321 1067230622 /nfs/dbraw/zinc/23/06/22/1067230622.db2.gz NBLLRKCELFHAQB-UHFFFAOYSA-N 1 0 453.564 4.093 20 0 JIADRO CCN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)cc2)CC1 ZINC001351894128 1067234882 /nfs/dbraw/zinc/23/48/82/1067234882.db2.gz CLLXRRBISISDGI-XNMGPUDCSA-N 1 0 476.665 4.197 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001351896067 1067236362 /nfs/dbraw/zinc/23/63/62/1067236362.db2.gz YSHBHBQSEKAMCD-UHFFFAOYSA-N 1 0 459.395 4.370 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492550021 1067253150 /nfs/dbraw/zinc/25/31/50/1067253150.db2.gz VVZKFMFGLTVKSQ-VXKWHMMOSA-N 1 0 457.688 4.475 20 0 JIADRO COc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)ccc1C ZINC001354892884 1067257092 /nfs/dbraw/zinc/25/70/92/1067257092.db2.gz KUVOAXJCZJUXRI-CLJLJLNGSA-N 1 0 477.649 4.082 20 0 JIADRO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)c1 ZINC001322156955 1067257937 /nfs/dbraw/zinc/25/79/37/1067257937.db2.gz DWOVOHXRTDRLHI-UHFFFAOYSA-N 1 0 492.645 4.417 20 0 JIADRO COc1cccc([C@@H](CNC(=O)c2cc(OC)cc(Br)c2OC)[NH+]2CCCC2)c1 ZINC001322201939 1067262074 /nfs/dbraw/zinc/26/20/74/1067262074.db2.gz GEKWJDDQUNVGTH-HXUWFJFHSA-N 1 0 463.372 4.042 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001322220411 1067263431 /nfs/dbraw/zinc/26/34/31/1067263431.db2.gz DKVIRMZEVOUCCX-UHFFFAOYSA-N 1 0 472.412 4.139 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[NH+]1CCCCC1 ZINC001322304370 1067271975 /nfs/dbraw/zinc/27/19/75/1067271975.db2.gz RNNNNHBSIJSWIO-VWLOTQADSA-N 1 0 484.604 4.456 20 0 JIADRO C[C@@H](CNC(=O)c1c(Br)cccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352080746 1067282653 /nfs/dbraw/zinc/28/26/53/1067282653.db2.gz MNVBPXQKFMHYFP-ZDUSSCGKSA-N 1 0 452.190 4.388 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001300757236 1067286477 /nfs/dbraw/zinc/28/64/77/1067286477.db2.gz FLTSOMLUPOWUSN-PXNSSMCTSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300757887 1067289035 /nfs/dbraw/zinc/28/90/35/1067289035.db2.gz NXUPNRPPCXSQLD-NRFANRHFSA-N 1 0 463.573 4.284 20 0 JIADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC001352139987 1067298231 /nfs/dbraw/zinc/29/82/31/1067298231.db2.gz BMWRYHNGFZYCMM-UHFFFAOYSA-N 1 0 455.580 4.298 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC001322479897 1067298586 /nfs/dbraw/zinc/29/85/86/1067298586.db2.gz NQJLDLUWYUCGEV-UHFFFAOYSA-N 1 0 467.957 4.259 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC001322479502 1067298619 /nfs/dbraw/zinc/29/86/19/1067298619.db2.gz AXNHSCWAFWMJIF-JOCHJYFZSA-N 1 0 457.416 4.248 20 0 JIADRO CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322479552 1067298855 /nfs/dbraw/zinc/29/88/55/1067298855.db2.gz BQARVUJBQVDDFG-UHFFFAOYSA-N 1 0 465.573 4.007 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(I)c(F)c3)CC2)cc1 ZINC001322511213 1067299991 /nfs/dbraw/zinc/29/99/91/1067299991.db2.gz VQVWTXFGDUXNHM-UHFFFAOYSA-N 1 0 452.311 4.087 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001322520777 1067300715 /nfs/dbraw/zinc/30/07/15/1067300715.db2.gz MAMFTGMZBKEZBP-UHFFFAOYSA-N 1 0 481.600 4.185 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001300764843 1067306044 /nfs/dbraw/zinc/30/60/44/1067306044.db2.gz WVBUXUBVALKYID-HKUYNNGSSA-N 1 0 450.002 4.473 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492579515 1067315167 /nfs/dbraw/zinc/31/51/67/1067315167.db2.gz LNHHSCRSQKKXQE-PZJWPPBQSA-N 1 0 479.591 4.455 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300772054 1067321326 /nfs/dbraw/zinc/32/13/26/1067321326.db2.gz IPYTWLNCZMQEIO-LAUBAEHRSA-N 1 0 461.582 4.127 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300773972 1067326967 /nfs/dbraw/zinc/32/69/67/1067326967.db2.gz VJYHCFZHARVAGE-VWNXMTODSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)[NH+]1CCCCC1 ZINC001323789709 1067327377 /nfs/dbraw/zinc/32/73/77/1067327377.db2.gz MHCGTWBVSSONPX-QHCPKHFHSA-N 1 0 474.561 4.005 20 0 JIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001324257625 1067337032 /nfs/dbraw/zinc/33/70/32/1067337032.db2.gz OIRAVYMREHQSNQ-HOTGVXAUSA-N 1 0 451.384 4.262 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001300782306 1067338852 /nfs/dbraw/zinc/33/88/52/1067338852.db2.gz KXYPJURENIICPS-HXUWFJFHSA-N 1 0 454.663 4.410 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)OC)CC1 ZINC001300782811 1067339906 /nfs/dbraw/zinc/33/99/06/1067339906.db2.gz PZAUTGDNDHSGCB-UHFFFAOYSA-N 1 0 486.842 4.248 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300001511 1067339948 /nfs/dbraw/zinc/33/99/48/1067339948.db2.gz CNNAIFLVAWXXFT-UHFFFAOYSA-N 1 0 453.587 4.232 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300782893 1067340483 /nfs/dbraw/zinc/34/04/83/1067340483.db2.gz SRJCHTJQODNYKX-OALUTQOASA-N 1 0 491.677 4.388 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC[NH+]2CCCCCC2)n1 ZINC001492498177 1067341155 /nfs/dbraw/zinc/34/11/55/1067341155.db2.gz UKSMRVCSMQFXTL-UHFFFAOYSA-N 1 0 475.641 4.216 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492498263 1067341593 /nfs/dbraw/zinc/34/15/93/1067341593.db2.gz WXZVUNLYXRGCHP-QUCCMNQESA-N 1 0 496.059 4.497 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300002015 1067342071 /nfs/dbraw/zinc/34/20/71/1067342071.db2.gz IPXGSSPECIICHO-UHFFFAOYSA-N 1 0 453.587 4.456 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 ZINC001300783941 1067343136 /nfs/dbraw/zinc/34/31/36/1067343136.db2.gz GIJOSCAUJJNYLS-NQIIRXRSSA-N 1 0 461.676 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001300784687 1067344007 /nfs/dbraw/zinc/34/40/07/1067344007.db2.gz DHWRIVRIPMBDPT-JOCHJYFZSA-N 1 0 475.703 4.071 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300003017 1067345911 /nfs/dbraw/zinc/34/59/11/1067345911.db2.gz WKCYQRQOZSFSPD-JOCHJYFZSA-N 1 0 453.587 4.312 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001300785201 1067346163 /nfs/dbraw/zinc/34/61/63/1067346163.db2.gz IUMFYLLRHFEMNP-IFMALSPDSA-N 1 0 454.663 4.168 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001300785358 1067346667 /nfs/dbraw/zinc/34/66/67/1067346667.db2.gz LQWGAJHYKLTBLV-UUWRZZSWSA-N 1 0 489.730 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@@H](C)O[C@H](c4ccsc4)C3)nnc2C(C)(C)C)CC1 ZINC001300785551 1067346945 /nfs/dbraw/zinc/34/69/45/1067346945.db2.gz GKRZJZIVXYOSQE-NQIIRXRSSA-N 1 0 475.703 4.493 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001300003653 1067348046 /nfs/dbraw/zinc/34/80/46/1067348046.db2.gz XVMSEKAQLOKPGZ-FQEVSTJZSA-N 1 0 499.681 4.470 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCC(OCc3ccccc3)CC2)CC1 ZINC001300786367 1067348319 /nfs/dbraw/zinc/34/83/19/1067348319.db2.gz UAAHWRISYMKSMS-UHFFFAOYSA-N 1 0 469.674 4.477 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001300786425 1067348967 /nfs/dbraw/zinc/34/89/67/1067348967.db2.gz MNOGYMTVYIIFSQ-DEOSSOPVSA-N 1 0 469.674 4.414 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300003929 1067349073 /nfs/dbraw/zinc/34/90/73/1067349073.db2.gz XIBVJWDSANXVBO-BGYRXZFFSA-N 1 0 493.656 4.145 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300003930 1067349113 /nfs/dbraw/zinc/34/91/13/1067349113.db2.gz XIBVJWDSANXVBO-PMACEKPBSA-N 1 0 493.656 4.145 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001300786847 1067349769 /nfs/dbraw/zinc/34/97/69/1067349769.db2.gz VKKRNUYHJBQPAC-DHIUTWEWSA-N 1 0 459.610 4.122 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001300786851 1067349862 /nfs/dbraw/zinc/34/98/62/1067349862.db2.gz VKKRNUYHJBQPAC-PKTZIBPZSA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001300787483 1067351126 /nfs/dbraw/zinc/35/11/26/1067351126.db2.gz WKXXLHGDYXJPLF-VQIMIIECSA-N 1 0 480.579 4.173 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4cccn4C)nnc3N(C)[C@H](C)CCSC)CCCC2)CC1 ZINC001300787583 1067351948 /nfs/dbraw/zinc/35/19/48/1067351948.db2.gz VGLUCRGCQCDLFF-HXUWFJFHSA-N 1 0 474.719 4.285 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001300787622 1067352024 /nfs/dbraw/zinc/35/20/24/1067352024.db2.gz VMSKBSASTSTMSN-NHCUHLMSSA-N 1 0 487.714 4.385 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492554097 1067353672 /nfs/dbraw/zinc/35/36/72/1067353672.db2.gz RRPXLPZBHKNNPI-FCHUYYIVSA-N 1 0 452.647 4.284 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300008400 1067359313 /nfs/dbraw/zinc/35/93/13/1067359313.db2.gz FYAHHRQPCRFYRG-RTWAWAEBSA-N 1 0 453.631 4.487 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300010213 1067362249 /nfs/dbraw/zinc/36/22/49/1067362249.db2.gz DKYNXXAOBXCNOI-SWYRRKHMSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC[C@@H]1C ZINC001300792297 1067362721 /nfs/dbraw/zinc/36/27/21/1067362721.db2.gz VOSNBLULZKTUEC-NHCICSSKSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001300792342 1067362835 /nfs/dbraw/zinc/36/28/35/1067362835.db2.gz WCGNMQRUCDZTEK-JOCHJYFZSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC001300793110 1067364779 /nfs/dbraw/zinc/36/47/79/1067364779.db2.gz DFPSFUSXSIOMJS-BEFAXECRSA-N 1 0 480.426 4.192 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300011850 1067365132 /nfs/dbraw/zinc/36/51/32/1067365132.db2.gz MBNCTCUHLQINEO-IBGZPJMESA-N 1 0 469.552 4.471 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492555372 1067365832 /nfs/dbraw/zinc/36/58/32/1067365832.db2.gz KGPKAFTWLXUWAW-IRLDBZIGSA-N 1 0 466.674 4.417 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Oc3ccccc3I)cc2)CC1 ZINC001355056858 1067366038 /nfs/dbraw/zinc/36/60/38/1067366038.db2.gz AWTSRHQVHARAGQ-UHFFFAOYSA-N 1 0 450.320 4.041 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492555317 1067375449 /nfs/dbraw/zinc/37/54/49/1067375449.db2.gz JKHMLDOXKYTUOS-DHIUTWEWSA-N 1 0 462.642 4.271 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ncc1Br ZINC001355122027 1067376269 /nfs/dbraw/zinc/37/62/69/1067376269.db2.gz XUPJFEHDZCHVPJ-IAGOWNOFSA-N 1 0 457.397 4.463 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300019929 1067383507 /nfs/dbraw/zinc/38/35/07/1067383507.db2.gz XOMNXRIRBWWAPU-UHFFFAOYSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC[NH+]2CCSCC2)cc1Br ZINC001300023231 1067391515 /nfs/dbraw/zinc/39/15/15/1067391515.db2.gz JGPCZHLRXYQRBJ-IAGOWNOFSA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)c(OC)c1 ZINC001300023255 1067391538 /nfs/dbraw/zinc/39/15/38/1067391538.db2.gz DQAFMAYYNHHOMH-SFTDATJTSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300023729 1067392973 /nfs/dbraw/zinc/39/29/73/1067392973.db2.gz LZGAYDUETDXVHZ-LJQANCHMSA-N 1 0 459.635 4.085 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(F)ccc(Br)c2F)c1 ZINC001355235726 1067393766 /nfs/dbraw/zinc/39/37/66/1067393766.db2.gz MAZOMJYYDMWAJP-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC001200036553 1067393776 /nfs/dbraw/zinc/39/37/76/1067393776.db2.gz LYOKCJVUMNGTIQ-UHFFFAOYSA-N 1 0 452.437 4.403 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300026475 1067397985 /nfs/dbraw/zinc/39/79/85/1067397985.db2.gz AXQKHAANVBDFHT-PMACEKPBSA-N 1 0 469.630 4.007 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001300036791 1067445805 /nfs/dbraw/zinc/44/58/05/1067445805.db2.gz UQPOTZGXSZYHQU-ROUUACIJSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300038029 1067450059 /nfs/dbraw/zinc/45/00/59/1067450059.db2.gz JOOZNGUUZFHVQA-PKTZIBPZSA-N 1 0 455.647 4.183 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(Cc2ccccc2)c1Br ZINC001352507235 1067454811 /nfs/dbraw/zinc/45/48/11/1067454811.db2.gz SUMYJLRERYKBCD-UHFFFAOYSA-N 1 0 453.384 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001300040089 1067458946 /nfs/dbraw/zinc/45/89/46/1067458946.db2.gz DLIBLWSTQRLSKU-MHZLTWQESA-N 1 0 469.674 4.452 20 0 JIADRO O=C(COc1ccc(Cl)c(F)c1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001355429343 1067463486 /nfs/dbraw/zinc/46/34/86/1067463486.db2.gz KNQVRIMECVIZOZ-UHFFFAOYSA-N 1 0 454.933 4.214 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300041969 1067476431 /nfs/dbraw/zinc/47/64/31/1067476431.db2.gz XESRYSVRZBCNMX-FQEVSTJZSA-N 1 0 498.672 4.179 20 0 JIADRO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355529401 1067500202 /nfs/dbraw/zinc/50/02/02/1067500202.db2.gz HYKXPWHVSOYQSI-FQEVSTJZSA-N 1 0 458.393 4.370 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300049923 1067506728 /nfs/dbraw/zinc/50/67/28/1067506728.db2.gz LWYAITNKLQEXEJ-MJGOQNOKSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001300051057 1067512120 /nfs/dbraw/zinc/51/21/20/1067512120.db2.gz WYVJNBAEIKRTIJ-FUHWJXTLSA-N 1 0 467.536 4.225 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300051119 1067513147 /nfs/dbraw/zinc/51/31/47/1067513147.db2.gz BZYIVAFROHCZGS-UZINWLIJSA-N 1 0 455.647 4.327 20 0 JIADRO C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001355593031 1067520528 /nfs/dbraw/zinc/52/05/28/1067520528.db2.gz IMRCNBYZRFHAHZ-INIZCTEOSA-N 1 0 457.500 4.218 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2C[C@H](C)OC)cc1OC ZINC001300054319 1067532050 /nfs/dbraw/zinc/53/20/50/1067532050.db2.gz SPMIUZXOUPIFEV-SFTDATJTSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(CCNC(=S)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cc1OC ZINC001200073924 1067532120 /nfs/dbraw/zinc/53/21/20/1067532120.db2.gz YQRUSWGNBWHLLS-KSEOMHKRSA-N 1 0 473.708 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1Br ZINC001300056264 1067540075 /nfs/dbraw/zinc/54/00/75/1067540075.db2.gz JBIGSPQFFDHETB-QGZVFWFLSA-N 1 0 460.376 4.212 20 0 JIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001355649139 1067542027 /nfs/dbraw/zinc/54/20/27/1067542027.db2.gz ITDOPHDPTSBXDM-UHFFFAOYSA-N 1 0 454.880 4.401 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnc(Br)c(Br)c1 ZINC001355656415 1067542364 /nfs/dbraw/zinc/54/23/64/1067542364.db2.gz NTKZRPODELHBOD-UHFFFAOYSA-N 1 0 453.178 4.497 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSCC(C)C)c(OC)c1 ZINC001300057625 1067547267 /nfs/dbraw/zinc/54/72/67/1067547267.db2.gz VXOWZEZFLAZNGF-FQEVSTJZSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300059173 1067554708 /nfs/dbraw/zinc/55/47/08/1067554708.db2.gz KCYVJIHWDDUVGN-CTNGQTDRSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300059176 1067554864 /nfs/dbraw/zinc/55/48/64/1067554864.db2.gz KCYVJIHWDDUVGN-TZIWHRDSSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300060703 1067560439 /nfs/dbraw/zinc/56/04/39/1067560439.db2.gz PPJJXXGQRQIHRK-SXWKCWPCSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1 ZINC001200081061 1067561123 /nfs/dbraw/zinc/56/11/23/1067561123.db2.gz SRLOYUONRNLTPX-UHFFFAOYSA-N 1 0 452.599 4.257 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(C)CCOCC2)cc1OC ZINC001300061914 1067566896 /nfs/dbraw/zinc/56/68/96/1067566896.db2.gz RNYWLUPQZHHKMP-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001300062190 1067569040 /nfs/dbraw/zinc/56/90/40/1067569040.db2.gz AWXSBQYSWOALNZ-SFTDATJTSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC001300066437 1067580232 /nfs/dbraw/zinc/58/02/32/1067580232.db2.gz BCUOMFXUUZERKQ-NFBKMPQASA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001300066618 1067581054 /nfs/dbraw/zinc/58/10/54/1067581054.db2.gz DNOUERLVDWLWGC-FQEVSTJZSA-N 1 0 498.672 4.274 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1 ZINC001352616532 1067582151 /nfs/dbraw/zinc/58/21/51/1067582151.db2.gz KEAVXDWBWQVJGW-XMMPIXPASA-N 1 0 457.574 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC2CC(OC(C)(C)C)C2)c(OC)c1 ZINC001300069222 1067588739 /nfs/dbraw/zinc/58/87/39/1067588739.db2.gz ZLLWNFWYHDLVSL-UHFFFAOYSA-N 1 0 485.673 4.477 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842353 1067590672 /nfs/dbraw/zinc/59/06/72/1067590672.db2.gz JUOPDTOZMBFOIE-GXTWGEPZSA-N 1 0 453.178 4.172 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843448 1067590800 /nfs/dbraw/zinc/59/08/00/1067590800.db2.gz ZNAJCMQASWEPQE-VGOFRKELSA-N 1 0 453.384 4.259 20 0 JIADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001355868404 1067595239 /nfs/dbraw/zinc/59/52/39/1067595239.db2.gz PVVQWBNYRAXZIB-POAQFYNOSA-N 1 0 454.396 4.193 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300076232 1067602886 /nfs/dbraw/zinc/60/28/86/1067602886.db2.gz SJVXGZWYLAXXLR-OYRHEFFESA-N 1 0 490.643 4.099 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300076925 1067605796 /nfs/dbraw/zinc/60/57/96/1067605796.db2.gz JJAOGMNLVLUIMJ-YKSBVNFPSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300080619 1067616719 /nfs/dbraw/zinc/61/67/19/1067616719.db2.gz WCULZHFZPKJWRK-RUZDIDTESA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300080678 1067617472 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NKQUBWJJCSBKMC-SFHVURJKSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300094112 1067655154 /nfs/dbraw/zinc/65/51/54/1067655154.db2.gz FNGCYPFPQHIHLR-DHIUTWEWSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300094049 1067655210 /nfs/dbraw/zinc/65/52/10/1067655210.db2.gz DDAACPQCIZUNBA-GBXCKJPGSA-N 1 0 459.660 4.198 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001300095521 1067658761 /nfs/dbraw/zinc/65/87/61/1067658761.db2.gz WHNVPLGCHBFVOZ-BVAGGSTKSA-N 1 0 471.646 4.009 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300095793 1067659574 /nfs/dbraw/zinc/65/95/74/1067659574.db2.gz YOOLDMMRTJWVDF-YWZLYKJASA-N 1 0 473.419 4.336 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300099478 1067671039 /nfs/dbraw/zinc/67/10/39/1067671039.db2.gz XSBDBAXHONCDOK-QHCPKHFHSA-N 1 0 464.614 4.347 20 0 JIADRO CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001356172987 1067681150 /nfs/dbraw/zinc/68/11/50/1067681150.db2.gz YYSWJMJDPDGHSN-RDPSFJRHSA-N 1 0 452.599 4.026 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001300107887 1067701996 /nfs/dbraw/zinc/70/19/96/1067701996.db2.gz XJZYWJGZLSCACV-UNMCSNQZSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001300108125 1067703316 /nfs/dbraw/zinc/70/33/16/1067703316.db2.gz MECBOUBIZKNOPF-LADGPHEKSA-N 1 0 483.701 4.303 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC001300109159 1067707149 /nfs/dbraw/zinc/70/71/49/1067707149.db2.gz XYEPPXSMPQAWCL-QFIPXVFZSA-N 1 0 493.700 4.200 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300113766 1067719685 /nfs/dbraw/zinc/71/96/85/1067719685.db2.gz IIGPNHBRSWQSQG-FCHUYYIVSA-N 1 0 499.700 4.028 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327158 1067724958 /nfs/dbraw/zinc/72/49/58/1067724958.db2.gz DEXASMMRLXOYGX-OCCSQVGLSA-N 1 0 456.274 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300117657 1067728861 /nfs/dbraw/zinc/72/88/61/1067728861.db2.gz OGNDRYJMCNNYMI-RDGATRHJSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300119590 1067734120 /nfs/dbraw/zinc/73/41/20/1067734120.db2.gz ISCCWDUXIUPWMC-SFTDATJTSA-N 1 0 469.674 4.242 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC[C@@H](OC)C(F)(F)F)cc1 ZINC001300120216 1067736904 /nfs/dbraw/zinc/73/69/04/1067736904.db2.gz PJIRYUAGCHWPLH-IFMALSPDSA-N 1 0 495.590 4.104 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)c2cc(C)oc2C)cc1 ZINC001300121245 1067738825 /nfs/dbraw/zinc/73/88/25/1067738825.db2.gz VQCDUNJMDZNRJX-NDEPHWFRSA-N 1 0 495.668 4.156 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001356378254 1067739451 /nfs/dbraw/zinc/73/94/51/1067739451.db2.gz PWJTYLHAURFUMJ-GOSISDBHSA-N 1 0 455.571 4.066 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001356378256 1067739497 /nfs/dbraw/zinc/73/94/97/1067739497.db2.gz PWJTYLHAURFUMJ-SFHVURJKSA-N 1 0 455.571 4.066 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2CC(F)(F)C2)cc1 ZINC001300122768 1067742282 /nfs/dbraw/zinc/74/22/82/1067742282.db2.gz JKEPFUGHWHXQPE-UHFFFAOYSA-N 1 0 461.601 4.428 20 0 JIADRO Cc1ccc(NC(=S)N2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(Br)c1 ZINC001200146657 1067754963 /nfs/dbraw/zinc/75/49/63/1067754963.db2.gz VFLJDEAMGISTJI-UHFFFAOYSA-N 1 0 462.461 4.318 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300127770 1067759573 /nfs/dbraw/zinc/75/95/73/1067759573.db2.gz AQHDNIKTYSGIAH-ZJSXRUAMSA-N 1 0 471.715 4.382 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300128769 1067762715 /nfs/dbraw/zinc/76/27/15/1067762715.db2.gz VIUQORLNTXMQHK-KNQAVFIVSA-N 1 0 457.688 4.134 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(CNC(=S)Nc3ccc(C)cc3Br)cc2)CC1 ZINC001200153916 1067774813 /nfs/dbraw/zinc/77/48/13/1067774813.db2.gz OPPZJLVBOKOWPO-UHFFFAOYSA-N 1 0 461.473 4.382 20 0 JIADRO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001352871817 1067777857 /nfs/dbraw/zinc/77/78/57/1067777857.db2.gz FHXWXAYHPWFZEP-UHFFFAOYSA-N 1 0 451.571 4.198 20 0 JIADRO COc1ccc2c(C)c(CCC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)c(=O)oc2c1 ZINC000849056222 1067786746 /nfs/dbraw/zinc/78/67/46/1067786746.db2.gz BVQYSEBHXRGDDC-HSZRJFAPSA-N 1 0 464.562 4.005 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000849059274 1067790033 /nfs/dbraw/zinc/79/00/33/1067790033.db2.gz OBPUZNIWQMUORT-YJBOKZPZSA-N 1 0 479.408 4.043 20 0 JIADRO 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CCCOc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(OC2CCCC2)c1 ZINC001357146455 1067810284 /nfs/dbraw/zinc/81/02/84/1067810284.db2.gz YIXFYLKHHOEBQE-UHFFFAOYSA-N 1 0 457.659 4.427 20 0 JIADRO C[N@H+](CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154132 1067810522 /nfs/dbraw/zinc/81/05/22/1067810522.db2.gz LUCAKXWDPHRUFE-FCEUIQTBSA-N 1 0 451.652 4.094 20 0 JIADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC001473230685 1067811067 /nfs/dbraw/zinc/81/10/67/1067811067.db2.gz OVTDFELRFVFKEY-SFHVURJKSA-N 1 0 454.792 4.446 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300162386 1067817468 /nfs/dbraw/zinc/81/74/68/1067817468.db2.gz LLRCFFZEWIMNRY-OAQYLSRUSA-N 1 0 478.641 4.362 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300162750 1067818432 /nfs/dbraw/zinc/81/84/32/1067818432.db2.gz RNNZQBZACJHCHJ-QHCPKHFHSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300163262 1067819866 /nfs/dbraw/zinc/81/98/66/1067819866.db2.gz ZKGNIDYZQLVAFV-UHFFFAOYSA-N 1 0 466.630 4.202 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492584756 1067821646 /nfs/dbraw/zinc/82/16/46/1067821646.db2.gz RQPODOJUNMPZIP-RPWUZVMVSA-N 1 0 463.674 4.271 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300164717 1067822288 /nfs/dbraw/zinc/82/22/88/1067822288.db2.gz VRDWJROODLZECD-QGZVFWFLSA-N 1 0 487.446 4.413 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492584890 1067823044 /nfs/dbraw/zinc/82/30/44/1067823044.db2.gz UXKAWFLTLMOKDB-PWWKTKHKSA-N 1 0 494.728 4.429 20 0 JIADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245866 1067823519 /nfs/dbraw/zinc/82/35/19/1067823519.db2.gz HGZBKBWIGMFQHE-VLCRHTCISA-N 1 0 458.647 4.094 20 0 JIADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245867 1067823616 /nfs/dbraw/zinc/82/36/16/1067823616.db2.gz HGZBKBWIGMFQHE-YUXAGFNASA-N 1 0 458.647 4.094 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001300169302 1067827233 /nfs/dbraw/zinc/82/72/33/1067827233.db2.gz DCRYTHKIUHZNDX-XZOQPEGZSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001300169332 1067827526 /nfs/dbraw/zinc/82/75/26/1067827526.db2.gz DWRWMUGXCCTODG-FYYLOGMGSA-N 1 0 455.647 4.390 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001300170808 1067829866 /nfs/dbraw/zinc/82/98/66/1067829866.db2.gz WURDCKOECVHWTE-QFIPXVFZSA-N 1 0 455.647 4.390 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001357284775 1067830369 /nfs/dbraw/zinc/83/03/69/1067830369.db2.gz LAIBGMZBVFMSMC-SZPZYZBQSA-N 1 0 453.608 4.187 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)cc1O ZINC001300173782 1067833150 /nfs/dbraw/zinc/83/31/50/1067833150.db2.gz WRXPIXNBOHMOFY-UHFFFAOYSA-N 1 0 469.655 4.337 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300174366 1067833809 /nfs/dbraw/zinc/83/38/09/1067833809.db2.gz SHZJPNRSBYGMSV-TZIWHRDSSA-N 1 0 459.610 4.078 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 ZINC001357344897 1067836880 /nfs/dbraw/zinc/83/68/80/1067836880.db2.gz DPHVVFUYLPBLOX-UHFFFAOYSA-N 1 0 459.472 4.420 20 0 JIADRO C[C@@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)CN1CC[NH+](C)CC1 ZINC001200203956 1067839274 /nfs/dbraw/zinc/83/92/74/1067839274.db2.gz LIYFXLUPKRALBI-FQEVSTJZSA-N 1 0 453.631 4.069 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001357364537 1067839329 /nfs/dbraw/zinc/83/93/29/1067839329.db2.gz CXQLNWOQGDYMRP-NHCUHLMSSA-N 1 0 459.631 4.459 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001300178832 1067839986 /nfs/dbraw/zinc/83/99/86/1067839986.db2.gz GUBWNPWRCLCYEF-MZLICYQSSA-N 1 0 455.647 4.451 20 0 JIADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001357426819 1067848620 /nfs/dbraw/zinc/84/86/20/1067848620.db2.gz QQPNPCMICLKEEN-UHFFFAOYSA-N 1 0 455.400 4.421 20 0 JIADRO CCOC(=O)C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434237 1067849488 /nfs/dbraw/zinc/84/94/88/1067849488.db2.gz FZVWPGUNKVTOKE-PZJWPPBQSA-N 1 0 459.384 4.082 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@H](NS(=O)(=O)c3ccc(Cl)c4ccccc43)C2)CC1 ZINC001200214798 1067851272 /nfs/dbraw/zinc/85/12/72/1067851272.db2.gz MJSGSTIUYADFGD-KRWDZBQOSA-N 1 0 494.057 4.245 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001357464260 1067853155 /nfs/dbraw/zinc/85/31/55/1067853155.db2.gz LXXUCLKDRYFOLU-NRFANRHFSA-N 1 0 453.549 4.339 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1Br ZINC001300190844 1067853422 /nfs/dbraw/zinc/85/34/22/1067853422.db2.gz YCZTVQPNXLHLJO-XLIONFOSSA-N 1 0 476.463 4.497 20 0 JIADRO COCCc1ccc(OC[C@H](O)CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC001473277693 1067854266 /nfs/dbraw/zinc/85/42/66/1067854266.db2.gz MRGPUEOTCJDLLS-AREMUKBSSA-N 1 0 452.639 4.136 20 0 JIADRO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001357493397 1067858601 /nfs/dbraw/zinc/85/86/01/1067858601.db2.gz CXZRBLSBZGSBIT-NLWGTHIKSA-N 1 0 457.416 4.393 20 0 JIADRO Cc1ccc(C2(C(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CCOCC2)cc1C ZINC001357577806 1067873387 /nfs/dbraw/zinc/87/33/87/1067873387.db2.gz DZYVISIPZHXBBY-OAQYLSRUSA-N 1 0 453.602 4.120 20 0 JIADRO CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001357607582 1067876612 /nfs/dbraw/zinc/87/66/12/1067876612.db2.gz CEFUJFVAVPCXRF-JTHBVZDNSA-N 1 0 451.636 4.275 20 0 JIADRO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641688 1067881511 /nfs/dbraw/zinc/88/15/11/1067881511.db2.gz WMTDSXJOJFGQAI-UOAUAQBLSA-N 1 0 453.583 4.390 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492559091 1067883755 /nfs/dbraw/zinc/88/37/55/1067883755.db2.gz QIOUJMKWJBUVFI-JOCHJYFZSA-N 1 0 469.655 4.453 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C[C@@H]21 ZINC001473302604 1067889226 /nfs/dbraw/zinc/88/92/26/1067889226.db2.gz SXWZDUXRHKIDAH-OHQAAIJDSA-N 1 0 457.384 4.247 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)cc1 ZINC001357711401 1067890045 /nfs/dbraw/zinc/89/00/45/1067890045.db2.gz JCJVHQODDOXCAF-SFHVURJKSA-N 1 0 459.537 4.259 20 0 JIADRO C[C@@H](CNC(=O)c1cc(Br)cc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC001357799658 1067902255 /nfs/dbraw/zinc/90/22/55/1067902255.db2.gz VYNBUXHYCKIIQU-ZDUSSCGKSA-N 1 0 452.190 4.388 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300235789 1067927501 /nfs/dbraw/zinc/92/75/01/1067927501.db2.gz KWMPTLKTCDQOFS-ROUUACIJSA-N 1 0 450.027 4.199 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300236319 1067928726 /nfs/dbraw/zinc/92/87/26/1067928726.db2.gz PZRJCDUZLVTDRG-UHFFFAOYSA-N 1 0 464.054 4.109 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001357905370 1067936709 /nfs/dbraw/zinc/93/67/09/1067936709.db2.gz PIWWCPUSMQDFFH-BKMJKUGQSA-N 1 0 456.631 4.193 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300238252 1067938631 /nfs/dbraw/zinc/93/86/31/1067938631.db2.gz DCTPVJJJSSMYRH-WOJBJXKFSA-N 1 0 475.081 4.107 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001300238298 1067938763 /nfs/dbraw/zinc/93/87/63/1067938763.db2.gz FOMRCBCUQUBUHU-GOSISDBHSA-N 1 0 490.073 4.197 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(OC(F)F)c(F)c3)cc2)C[C@@H]1C ZINC001357906969 1067938724 /nfs/dbraw/zinc/93/87/24/1067938724.db2.gz SBYGCSFDHYKOCM-IRXDYDNUSA-N 1 0 450.501 4.366 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1CCCCC1 ZINC001300238401 1067939334 /nfs/dbraw/zinc/93/93/34/1067939334.db2.gz IPVUULRJAKXCGK-UHFFFAOYSA-N 1 0 486.064 4.314 20 0 JIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001357924998 1067944659 /nfs/dbraw/zinc/94/46/59/1067944659.db2.gz OUYVXIAEFMFCDM-UHFFFAOYSA-N 1 0 451.611 4.379 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001492560309 1067948760 /nfs/dbraw/zinc/94/87/60/1067948760.db2.gz VHJWNYAHWCWKDD-UHFFFAOYSA-N 1 0 468.690 4.065 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(C3CC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001300250809 1068000782 /nfs/dbraw/zinc/00/07/82/1068000782.db2.gz FFPDJKKACUQEKM-UHFFFAOYSA-N 1 0 463.573 4.372 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001358078467 1068012917 /nfs/dbraw/zinc/01/29/17/1068012917.db2.gz XZDJRNBLPZLYHB-RCZSKKKRSA-N 1 0 476.637 4.228 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)[C@@H]3c3cnn(C)c3)c2C1 ZINC001358122920 1068024600 /nfs/dbraw/zinc/02/46/00/1068024600.db2.gz ZGFUUGSXCWAHJH-GBXCKJPGSA-N 1 0 451.615 4.109 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCC(C)CC1)C[C@@H]2O ZINC001300262369 1068027765 /nfs/dbraw/zinc/02/77/65/1068027765.db2.gz XLMOVUOSURMPIB-FPOVZHCZSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263904 1068031690 /nfs/dbraw/zinc/03/16/90/1068031690.db2.gz RZLKULLVVMHKKJ-NRFANRHFSA-N 1 0 470.643 4.079 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC001358182663 1068039258 /nfs/dbraw/zinc/03/92/58/1068039258.db2.gz UDVNRLSSJMTHKO-YJLNNSPDSA-N 1 0 454.949 4.366 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300267388 1068039740 /nfs/dbraw/zinc/03/97/40/1068039740.db2.gz AQNZJFIJIMUQCY-ZJSXRUAMSA-N 1 0 485.673 4.095 20 0 JIADRO Cc1ccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1NC(=O)OC(C)(C)C ZINC001358187056 1068039791 /nfs/dbraw/zinc/03/97/91/1068039791.db2.gz ITTIBXQRHXNMCK-QHCPKHFHSA-N 1 0 452.599 4.061 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300269216 1068045062 /nfs/dbraw/zinc/04/50/62/1068045062.db2.gz JFCYCJXVASTARF-WIYYLYMNSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300272595 1068053827 /nfs/dbraw/zinc/05/38/27/1068053827.db2.gz XLEJCRUNKYWKRJ-VSKRKVRLSA-N 1 0 485.673 4.237 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2ccc(F)cc2Br)ccc1OC ZINC001358315332 1068065238 /nfs/dbraw/zinc/06/52/38/1068065238.db2.gz ZGVNVGGZWGVLRA-UHFFFAOYSA-N 1 0 453.352 4.499 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492564589 1068067384 /nfs/dbraw/zinc/06/73/84/1068067384.db2.gz MKFAKMQQHOYCON-UNMCSNQZSA-N 1 0 468.646 4.039 20 0 JIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C)C1 ZINC001353376764 1068070382 /nfs/dbraw/zinc/07/03/82/1068070382.db2.gz RJEHEQSLQCPSJF-YWZLYKJASA-N 1 0 453.414 4.354 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492564943 1068073437 /nfs/dbraw/zinc/07/34/37/1068073437.db2.gz YCRPIQOHHCMQBX-IBGZPJMESA-N 1 0 465.564 4.268 20 0 JIADRO Cc1cc(C)c(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)c1Br ZINC001353389416 1068080153 /nfs/dbraw/zinc/08/01/53/1068080153.db2.gz ZVXYUUFNKCQOMA-UHFFFAOYSA-N 1 0 458.400 4.452 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492565604 1068081373 /nfs/dbraw/zinc/08/13/73/1068081373.db2.gz HCOKCKNLJZDJFR-IFMALSPDSA-N 1 0 468.646 4.087 20 0 JIADRO CCN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358469827 1068099022 /nfs/dbraw/zinc/09/90/22/1068099022.db2.gz CIYZFEDIHOMTGT-INIZCTEOSA-N 1 0 452.311 4.167 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300297607 1068132036 /nfs/dbraw/zinc/13/20/36/1068132036.db2.gz MZILDKBJGMMRMH-WOJBJXKFSA-N 1 0 459.660 4.072 20 0 JIADRO Cc1ccc(NC(=S)NC2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 ZINC001200345811 1068165022 /nfs/dbraw/zinc/16/50/22/1068165022.db2.gz GOFXHTSBWQDRIU-QGZVFWFLSA-N 1 0 453.052 4.409 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)COCCOc4ccccc4)cc3)CC2)c1 ZINC001353471650 1068173354 /nfs/dbraw/zinc/17/33/54/1068173354.db2.gz VFQLQZDUOKUCCK-UHFFFAOYSA-N 1 0 459.590 4.351 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+]1CCC(C)CC1 ZINC001353501994 1068224484 /nfs/dbraw/zinc/22/44/84/1068224484.db2.gz SEPJZAHZSVFXIS-LJQANCHMSA-N 1 0 451.384 4.260 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001473549626 1068243006 /nfs/dbraw/zinc/24/30/06/1068243006.db2.gz HUSDIXHYSNIBJI-ZJSXRUAMSA-N 1 0 452.599 4.428 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC001300323457 1068245829 /nfs/dbraw/zinc/24/58/29/1068245829.db2.gz SKSICBIAGFBXMB-PMACEKPBSA-N 1 0 469.674 4.326 20 0 JIADRO COc1ccc(CNC(=S)NC2CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC001200368419 1068264794 /nfs/dbraw/zinc/26/47/94/1068264794.db2.gz PZBJUMQNLPPROF-UHFFFAOYSA-N 1 0 455.521 4.482 20 0 JIADRO CCCc1cc(=O)n2nc(NCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)sc2n1 ZINC000515546240 1068266179 /nfs/dbraw/zinc/26/61/79/1068266179.db2.gz QJVNBRFETFOVRR-UHFFFAOYSA-N 1 0 494.587 4.137 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccn4C)n3CCCCSC)CC2)c1 ZINC001300331652 1068277882 /nfs/dbraw/zinc/27/78/82/1068277882.db2.gz FBNYILMHVOCKMI-HXUWFJFHSA-N 1 0 468.671 4.319 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332653 1068285282 /nfs/dbraw/zinc/28/52/82/1068285282.db2.gz MWTGRESRDBLFEH-GMAHTHKFSA-N 1 0 456.679 4.270 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)CC2)c1 ZINC001300333253 1068288576 /nfs/dbraw/zinc/28/85/76/1068288576.db2.gz QTDWCXKRJKJKCK-QFIPXVFZSA-N 1 0 498.716 4.183 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300333603 1068291548 /nfs/dbraw/zinc/29/15/48/1068291548.db2.gz BXMAFUDXUXMROU-LLGFUMIMSA-N 1 0 458.557 4.312 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001300333998 1068296142 /nfs/dbraw/zinc/29/61/42/1068296142.db2.gz DQOSVPFWYZUASD-NRFANRHFSA-N 1 0 485.430 4.084 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001300334000 1068296623 /nfs/dbraw/zinc/29/66/23/1068296623.db2.gz DQOSVPFWYZUASD-OAQYLSRUSA-N 1 0 485.430 4.084 20 0 JIADRO 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COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300350779 1068360940 /nfs/dbraw/zinc/36/09/40/1068360940.db2.gz LENJYWGTKMIBGO-GOSISDBHSA-N 1 0 454.644 4.477 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300350859 1068361595 /nfs/dbraw/zinc/36/15/95/1068361595.db2.gz OLKKVQUJUXGMLQ-KDURUIRLSA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCOCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001300351187 1068362625 /nfs/dbraw/zinc/36/26/25/1068362625.db2.gz AYSSUEMCPIVECV-DEOSSOPVSA-N 1 0 455.647 4.327 20 0 JIADRO BrC1=CCCN(c2nnc(Cc3ccccn3)n2CCCCC[NH+]2CCCC2)C1 ZINC001358869537 1068363361 /nfs/dbraw/zinc/36/33/61/1068363361.db2.gz NMQKEQYPANCKQA-UHFFFAOYSA-N 1 0 459.436 4.019 20 0 JIADRO BrC1=CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCCC2)C1 ZINC001358869236 1068363374 /nfs/dbraw/zinc/36/33/74/1068363374.db2.gz DYEPSTHLZOYVEX-UHFFFAOYSA-N 1 0 450.450 4.295 20 0 JIADRO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 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GSHSUKZSOFIQGP-NFBKMPQASA-N 1 0 455.647 4.325 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2c(F)cccc2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200433079 1068528715 /nfs/dbraw/zinc/52/87/15/1068528715.db2.gz JPEFBZHEUCTKLV-UHFFFAOYSA-N 1 0 479.666 4.092 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccccc2NC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200433245 1068529108 /nfs/dbraw/zinc/52/91/08/1068529108.db2.gz LUWWJWVKHJUFJU-LJQANCHMSA-N 1 0 462.660 4.237 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300398667 1068545035 /nfs/dbraw/zinc/54/50/35/1068545035.db2.gz DMIJHNMOIJRATB-XZOQPEGZSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001300399663 1068551439 /nfs/dbraw/zinc/55/14/39/1068551439.db2.gz IJYKWVALWMJPMG-DPLHUUCSSA-N 1 0 469.674 4.431 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300405044 1068566085 /nfs/dbraw/zinc/56/60/85/1068566085.db2.gz YQODYYIUMMHDEH-FBLLAGFSSA-N 1 0 496.700 4.380 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CCO2)c1 ZINC001300406132 1068569104 /nfs/dbraw/zinc/56/91/04/1068569104.db2.gz AAJJNQNFGQSHBB-HSZRJFAPSA-N 1 0 455.647 4.427 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406174 1068569617 /nfs/dbraw/zinc/56/96/17/1068569617.db2.gz AVPWKDKIEZLVMK-GMAHTHKFSA-N 1 0 457.663 4.430 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CCO2)c1 ZINC001300406548 1068572048 /nfs/dbraw/zinc/57/20/48/1068572048.db2.gz FEUWYKBZTULJCY-YADHBBJMSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCSCC3)CC2)c1 ZINC001300406758 1068575143 /nfs/dbraw/zinc/57/51/43/1068575143.db2.gz JNWYJJJQZXTDDU-UHFFFAOYSA-N 1 0 455.672 4.317 20 0 JIADRO Oc1ccc2ccccc2c1[C@H]1c2ccccc2C=C[C@@]1(O)NC(=S)NCC[NH+]1CCCCC1 ZINC001200445749 1068578781 /nfs/dbraw/zinc/57/87/81/1068578781.db2.gz WQNITDVOGFRWRG-IAPPQJPRSA-N 1 0 473.642 4.343 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300420531 1068631174 /nfs/dbraw/zinc/63/11/74/1068631174.db2.gz APLYIOPDNKLXFC-ISJGIBHGSA-N 1 0 499.700 4.199 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccccc2)cc1Br ZINC001353857537 1068674511 /nfs/dbraw/zinc/67/45/11/1068674511.db2.gz YTLYODNUPQORSW-SFHVURJKSA-N 1 0 453.384 4.371 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C1 ZINC001300434352 1068690855 /nfs/dbraw/zinc/69/08/55/1068690855.db2.gz KKIGFWRWECAKJS-BJKOFHAPSA-N 1 0 451.611 4.103 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001300434689 1068692041 /nfs/dbraw/zinc/69/20/41/1068692041.db2.gz HJZXZBNQZNAQOJ-WRALFONMSA-N 1 0 499.700 4.170 20 0 JIADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001353872781 1068700803 /nfs/dbraw/zinc/70/08/03/1068700803.db2.gz BCGPVPYKWAUURQ-UHFFFAOYSA-N 1 0 451.489 4.137 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC001300442771 1068724320 /nfs/dbraw/zinc/72/43/20/1068724320.db2.gz QODPRUAJNODQFX-UHFFFAOYSA-N 1 0 468.690 4.466 20 0 JIADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001353891092 1068727173 /nfs/dbraw/zinc/72/71/73/1068727173.db2.gz AQPWFMZZNQBORJ-UHFFFAOYSA-N 1 0 455.908 4.262 20 0 JIADRO COc1cccc(OCCCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300447748 1068742680 /nfs/dbraw/zinc/74/26/80/1068742680.db2.gz OSIWJLKXHWRRGH-UHFFFAOYSA-N 1 0 478.641 4.052 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300471048 1068812156 /nfs/dbraw/zinc/81/21/56/1068812156.db2.gz RPLUZGRPNNTSOR-ICSRJNTNSA-N 1 0 455.628 4.323 20 0 JIADRO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001200525213 1068820818 /nfs/dbraw/zinc/82/08/18/1068820818.db2.gz VGIYQOUJMMKWBB-INIZCTEOSA-N 1 0 450.461 4.079 20 0 JIADRO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1OC ZINC001200530442 1068831513 /nfs/dbraw/zinc/83/15/13/1068831513.db2.gz ZOFNYFMUGDVMPW-UHFFFAOYSA-N 1 0 467.557 4.351 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300480853 1068834248 /nfs/dbraw/zinc/83/42/48/1068834248.db2.gz HQTTUZHYMCKXIM-FQEVSTJZSA-N 1 0 481.563 4.089 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300482983 1068838514 /nfs/dbraw/zinc/83/85/14/1068838514.db2.gz NQEMTKKJMUBILO-LEWJYISDSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cc(NC(=S)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(OC)cc1Cl ZINC001200534265 1068842448 /nfs/dbraw/zinc/84/24/48/1068842448.db2.gz BESOZUSIRVHRSN-CQSZACIVSA-N 1 0 452.024 4.168 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300486419 1068847386 /nfs/dbraw/zinc/84/73/86/1068847386.db2.gz WZFOXJRWSYDKSX-YADHBBJMSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1sc(C)nc1C ZINC001300491644 1068856972 /nfs/dbraw/zinc/85/69/72/1068856972.db2.gz NOXGJGXOFDMRLD-UHFFFAOYSA-N 1 0 454.644 4.237 20 0 JIADRO COCC[S@@](=O)Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541772 1068857781 /nfs/dbraw/zinc/85/77/81/1068857781.db2.gz GSHDYOCSAZYWKH-DRSAFNPYSA-N 1 0 469.651 4.004 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001300493964 1068861611 /nfs/dbraw/zinc/86/16/11/1068861611.db2.gz YIWIHZFZJNFBNB-UHFFFAOYSA-N 1 0 496.700 4.351 20 0 JIADRO COc1cc(NC(=S)NC2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200548143 1068867784 /nfs/dbraw/zinc/86/77/84/1068867784.db2.gz HBULTEIBWFGUBH-INIZCTEOSA-N 1 0 499.077 4.117 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=S)Nc3cc(OC)c(Cl)cc3OC)CC2)c1 ZINC001200550557 1068871135 /nfs/dbraw/zinc/87/11/35/1068871135.db2.gz KXANCZSUUILTRM-UHFFFAOYSA-N 1 0 450.004 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001300507219 1068881522 /nfs/dbraw/zinc/88/15/22/1068881522.db2.gz JQZLKSGGOAQMJV-UNMCSNQZSA-N 1 0 498.672 4.130 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1nc(C)c(C)s1 ZINC001300510021 1068885727 /nfs/dbraw/zinc/88/57/27/1068885727.db2.gz CJCRQESDTCOBMV-UHFFFAOYSA-N 1 0 454.644 4.048 20 0 JIADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 ZINC000849118383 1068892294 /nfs/dbraw/zinc/89/22/94/1068892294.db2.gz QVZUCCYLPXSKOC-RUZDIDTESA-N 1 0 461.537 4.083 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[C@@H]1C ZINC001300513773 1068894839 /nfs/dbraw/zinc/89/48/39/1068894839.db2.gz QBEXNFDSPQDYHM-PMACEKPBSA-N 1 0 495.590 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300520146 1068910130 /nfs/dbraw/zinc/91/01/30/1068910130.db2.gz XXOWKFIGGAZIPV-MJGOQNOKSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300520462 1068910474 /nfs/dbraw/zinc/91/04/74/1068910474.db2.gz HVOFOGXBKIWGIQ-YQVWRLOYSA-N 1 0 451.537 4.320 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300528664 1068933742 /nfs/dbraw/zinc/93/37/42/1068933742.db2.gz FZECGPTUTJSUEV-OFVILXPXSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 ZINC001300531298 1068943251 /nfs/dbraw/zinc/94/32/51/1068943251.db2.gz WLJHPQQDKBXTSD-LJQANCHMSA-N 1 0 450.631 4.452 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300531643 1068945140 /nfs/dbraw/zinc/94/51/40/1068945140.db2.gz YJKAUMZKLIBDIU-OUMCCJGNSA-N 1 0 499.700 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H](C)[NH+](C)C ZINC001300536799 1068958189 /nfs/dbraw/zinc/95/81/89/1068958189.db2.gz UZVGPWAAZMLRDS-HNNXBMFYSA-N 1 0 478.460 4.288 20 0 JIADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC001200587182 1068961596 /nfs/dbraw/zinc/96/15/96/1068961596.db2.gz MLSOBBYTXQVNSA-MRXNPFEDSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300539429 1068966013 /nfs/dbraw/zinc/96/60/13/1068966013.db2.gz FQSXFECWTZSVOQ-LJQANCHMSA-N 1 0 468.671 4.481 20 0 JIADRO C[C@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC001354196835 1068968190 /nfs/dbraw/zinc/96/81/90/1068968190.db2.gz SPBBRCOHRWHBCF-NWDGAFQWSA-N 1 0 454.274 4.303 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492569282 1068968333 /nfs/dbraw/zinc/96/83/33/1068968333.db2.gz RMYLACGMZPLMOW-TZIWHRDSSA-N 1 0 478.607 4.448 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300540114 1068968953 /nfs/dbraw/zinc/96/89/53/1068968953.db2.gz QLVOAEKTMJPHNH-SFTDATJTSA-N 1 0 469.674 4.392 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492569384 1068971201 /nfs/dbraw/zinc/97/12/01/1068971201.db2.gz VEZXOSLEARNVRO-AKFKNWHVSA-N 1 0 480.701 4.315 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492569386 1068971275 /nfs/dbraw/zinc/97/12/75/1068971275.db2.gz VEZXOSLEARNVRO-FIXSFTCYSA-N 1 0 480.701 4.315 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492569467 1068972854 /nfs/dbraw/zinc/97/28/54/1068972854.db2.gz YFZYULGAENYQAH-VWNXMTODSA-N 1 0 466.674 4.067 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001492568712 1068977904 /nfs/dbraw/zinc/97/79/04/1068977904.db2.gz XAYZQWWGVJTFKM-QUCCMNQESA-N 1 0 476.547 4.222 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001354208086 1068978503 /nfs/dbraw/zinc/97/85/03/1068978503.db2.gz PYVGRDJSRURNJN-HSZRJFAPSA-N 1 0 452.599 4.341 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300546578 1068985200 /nfs/dbraw/zinc/98/52/00/1068985200.db2.gz CPHSKJMPCBBQAU-DXIQSLLYSA-N 1 0 495.590 4.154 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300548217 1068990957 /nfs/dbraw/zinc/99/09/57/1068990957.db2.gz XVTOJEAKBVDPNE-LEWJYISDSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001300551775 1069001044 /nfs/dbraw/zinc/00/10/44/1069001044.db2.gz GIRSXERUSZRKDA-UHFFFAOYSA-N 1 0 479.673 4.114 20 0 JIADRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC001200606283 1069012005 /nfs/dbraw/zinc/01/20/05/1069012005.db2.gz LKVBUTXWXKXTGT-HXUWFJFHSA-N 1 0 450.425 4.376 20 0 JIADRO Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001354249644 1069021176 /nfs/dbraw/zinc/02/11/76/1069021176.db2.gz LLBRJNLIIFVXKL-BJKOFHAPSA-N 1 0 480.008 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492589385 1069037782 /nfs/dbraw/zinc/03/77/82/1069037782.db2.gz RNLPCPRIXVWBKZ-RPWUZVMVSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001492590649 1069041395 /nfs/dbraw/zinc/04/13/95/1069041395.db2.gz QRYKLBQMNGSGMX-DEOSSOPVSA-N 1 0 496.700 4.474 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486021 1069052766 /nfs/dbraw/zinc/05/27/66/1069052766.db2.gz DODYKALAXFAKDJ-XZOQPEGZSA-N 1 0 451.640 4.025 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cs1 ZINC000849490975 1069057514 /nfs/dbraw/zinc/05/75/14/1069057514.db2.gz XFFGTNGMXZHQGK-VQTJNVASSA-N 1 0 457.669 4.086 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cs1 ZINC000849490974 1069057610 /nfs/dbraw/zinc/05/76/10/1069057610.db2.gz XFFGTNGMXZHQGK-UXHICEINSA-N 1 0 457.669 4.086 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1F ZINC000849490521 1069058539 /nfs/dbraw/zinc/05/85/39/1069058539.db2.gz OCEAWTSVOQJBGE-ROUUACIJSA-N 1 0 457.575 4.144 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492145 1069059494 /nfs/dbraw/zinc/05/94/94/1069059494.db2.gz VSSMNSRHVPTDDN-FPOVZHCZSA-N 1 0 497.393 4.076 20 0 JIADRO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849493237 1069061418 /nfs/dbraw/zinc/06/14/18/1069061418.db2.gz ITGWQUKVIWLGCX-SQMFLSJESA-N 1 0 473.621 4.204 20 0 JIADRO COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849493801 1069064613 /nfs/dbraw/zinc/06/46/13/1069064613.db2.gz ZVCAEEHJVSXGRS-JKSUJKDBSA-N 1 0 469.811 4.297 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849493738 1069064734 /nfs/dbraw/zinc/06/47/34/1069064734.db2.gz YYORAQQDLFUABA-NHCUHLMSSA-N 1 0 451.596 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001300568322 1069066708 /nfs/dbraw/zinc/06/67/08/1069066708.db2.gz RWODKTWALNLOGL-SANMLTNESA-N 1 0 483.682 4.157 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496404 1069067591 /nfs/dbraw/zinc/06/75/91/1069067591.db2.gz KGJWJZZUYLLVKQ-SVBPBHIXSA-N 1 0 471.649 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](COc2ccccc2F)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499738 1069071377 /nfs/dbraw/zinc/07/13/77/1069071377.db2.gz FHPQFHKEAZUCEZ-JBRSBNLGSA-N 1 0 464.585 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849499758 1069071420 /nfs/dbraw/zinc/07/14/20/1069071420.db2.gz FLKXVGPACRGTAO-VQTJNVASSA-N 1 0 450.505 4.112 20 0 JIADRO CC(C)c1ccc(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500784 1069072102 /nfs/dbraw/zinc/07/21/02/1069072102.db2.gz JDEVOQZBFOPFQG-CLJLJLNGSA-N 1 0 452.643 4.427 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502001 1069075707 /nfs/dbraw/zinc/07/57/07/1069075707.db2.gz OVPZNMOBCLAJRU-ZEQRLZLVSA-N 1 0 476.577 4.180 20 0 JIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849501753 1069075748 /nfs/dbraw/zinc/07/57/48/1069075748.db2.gz AHTQDVCXVJSIJP-GCYXNMHMSA-N 1 0 479.669 4.299 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501999 1069075806 /nfs/dbraw/zinc/07/58/06/1069075806.db2.gz OVPZNMOBCLAJRU-DNQXCXABSA-N 1 0 476.577 4.180 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849503359 1069076773 /nfs/dbraw/zinc/07/67/73/1069076773.db2.gz IEVJSEDJEWLGRM-CLJLJLNGSA-N 1 0 476.669 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849503360 1069077834 /nfs/dbraw/zinc/07/78/34/1069077834.db2.gz IEVJSEDJEWLGRM-FTJBHMTQSA-N 1 0 476.669 4.496 20 0 JIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849502895 1069078589 /nfs/dbraw/zinc/07/85/89/1069078589.db2.gz FYXPTNUOVVHDFI-ISKFKSNPSA-N 1 0 494.039 4.410 20 0 JIADRO Cc1ccccc1[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001492574550 1069081208 /nfs/dbraw/zinc/08/12/08/1069081208.db2.gz VEQSHOTXQQXACU-NRFANRHFSA-N 1 0 487.446 4.262 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504261 1069081357 /nfs/dbraw/zinc/08/13/57/1069081357.db2.gz BSWZGHKSIGMCES-XZOQPEGZSA-N 1 0 457.018 4.009 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505326 1069085319 /nfs/dbraw/zinc/08/53/19/1069085319.db2.gz RSKOEPZZVDEURK-VQTJNVASSA-N 1 0 455.603 4.368 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507273 1069087870 /nfs/dbraw/zinc/08/78/70/1069087870.db2.gz BTPLTIMNEXVUFZ-ZRBLBEILSA-N 1 0 467.411 4.124 20 0 JIADRO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cc(C(F)(F)F)ccc2S1 ZINC000849506587 1069088078 /nfs/dbraw/zinc/08/80/78/1069088078.db2.gz WYWUDKRDYTYMQM-FHLIZLRMSA-N 1 0 452.546 4.392 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507271 1069088090 /nfs/dbraw/zinc/08/80/90/1069088090.db2.gz BTPLTIMNEXVUFZ-YTFSRNRJSA-N 1 0 467.411 4.124 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849506751 1069088997 /nfs/dbraw/zinc/08/89/97/1069088997.db2.gz NNYYICCNPVPXNL-VXKWHMMOSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507584 1069090020 /nfs/dbraw/zinc/09/00/20/1069090020.db2.gz QETHVLXZJYVIHC-WTNAPCKOSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509370 1069090714 /nfs/dbraw/zinc/09/07/14/1069090714.db2.gz LYQNARJVXPGXLS-FGZHOGPDSA-N 1 0 461.448 4.434 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001492575051 1069091192 /nfs/dbraw/zinc/09/11/92/1069091192.db2.gz GXMKPIKTWCKBIG-XMMPIXPASA-N 1 0 494.728 4.188 20 0 JIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510036 1069091853 /nfs/dbraw/zinc/09/18/53/1069091853.db2.gz GJZXNYYLXXNVPI-ZTCOLXNVSA-N 1 0 465.642 4.196 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 ZINC000504168717 1069094644 /nfs/dbraw/zinc/09/46/44/1069094644.db2.gz FVCJAQXERWGFRG-UHFFFAOYSA-N 1 0 469.586 4.310 20 0 JIADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849513381 1069096407 /nfs/dbraw/zinc/09/64/07/1069096407.db2.gz SAYPGGNZUZGSQQ-ZEQRLZLVSA-N 1 0 467.589 4.121 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)[NH+]2CCCCC2)cc1 ZINC000504172056 1069097042 /nfs/dbraw/zinc/09/70/42/1069097042.db2.gz ORJZKPONCTZGGE-QFIPXVFZSA-N 1 0 481.622 4.495 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514172 1069097815 /nfs/dbraw/zinc/09/78/15/1069097815.db2.gz AEZWEHRWODGAJE-IZZNHLLZSA-N 1 0 463.601 4.040 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513481 1069098282 /nfs/dbraw/zinc/09/82/82/1069098282.db2.gz SNPADWHJEVLGKQ-UIOOFZCWSA-N 1 0 458.606 4.152 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000849515346 1069099015 /nfs/dbraw/zinc/09/90/15/1069099015.db2.gz LRZKAZJWOKWGCP-NHCUHLMSSA-N 1 0 474.531 4.386 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514509 1069099257 /nfs/dbraw/zinc/09/92/57/1069099257.db2.gz BXSOGNMSTRIGLV-LOSJGSFVSA-N 1 0 460.578 4.400 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514871 1069099592 /nfs/dbraw/zinc/09/95/92/1069099592.db2.gz AZNYZBBQQHQLFT-WOJBJXKFSA-N 1 0 462.063 4.079 20 0 JIADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849516213 1069100960 /nfs/dbraw/zinc/10/09/60/1069100960.db2.gz ORYKWJASEVTVPZ-CCDWMCETSA-N 1 0 482.669 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516290 1069101830 /nfs/dbraw/zinc/10/18/30/1069101830.db2.gz HMMCAVRMGFXUSW-GRYUFTJMSA-N 1 0 473.621 4.364 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515614 1069102614 /nfs/dbraw/zinc/10/26/14/1069102614.db2.gz MFACATKPMFTGSO-WOJBJXKFSA-N 1 0 464.591 4.017 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517454 1069103397 /nfs/dbraw/zinc/10/33/97/1069103397.db2.gz NXLFGPXPLUQFNY-DNQXCXABSA-N 1 0 454.578 4.255 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300577541 1069104885 /nfs/dbraw/zinc/10/48/85/1069104885.db2.gz YBOBUDCEILPKFO-NFBKMPQASA-N 1 0 469.674 4.392 20 0 JIADRO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849516711 1069105205 /nfs/dbraw/zinc/10/52/05/1069105205.db2.gz ANUOAMVCCFIXME-VQTJNVASSA-N 1 0 493.574 4.129 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517999 1069106068 /nfs/dbraw/zinc/10/60/68/1069106068.db2.gz MQZZDHCDHDSXMQ-RPWUZVMVSA-N 1 0 463.651 4.497 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000504187668 1069109797 /nfs/dbraw/zinc/10/97/97/1069109797.db2.gz HCCXZXJMMYPMBI-MRXNPFEDSA-N 1 0 486.592 4.432 20 0 JIADRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520084 1069112053 /nfs/dbraw/zinc/11/20/53/1069112053.db2.gz VPFRDDQRQUWIHO-BJKOFHAPSA-N 1 0 459.594 4.433 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 ZINC000504190825 1069113271 /nfs/dbraw/zinc/11/32/71/1069113271.db2.gz OFVOMJAOUREQKE-UHFFFAOYSA-N 1 0 455.559 4.016 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520678 1069113332 /nfs/dbraw/zinc/11/33/32/1069113332.db2.gz YMDDKTAHGBRYMF-BJKOFHAPSA-N 1 0 466.630 4.281 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520619 1069113405 /nfs/dbraw/zinc/11/34/05/1069113405.db2.gz XRLJWKHLXZVURF-VQTJNVASSA-N 1 0 470.371 4.044 20 0 JIADRO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849522081 1069114740 /nfs/dbraw/zinc/11/47/40/1069114740.db2.gz WZGICGUOHRKWKB-BJKOFHAPSA-N 1 0 486.620 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522703 1069116602 /nfs/dbraw/zinc/11/66/02/1069116602.db2.gz NKRSJHYAQPQGCY-IRLDBZIGSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849524312 1069117275 /nfs/dbraw/zinc/11/72/75/1069117275.db2.gz ZULUTIADWVZCRI-JWQCQUIFSA-N 1 0 454.659 4.363 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849525097 1069118082 /nfs/dbraw/zinc/11/80/82/1069118082.db2.gz LQHPQSWSMNRWPM-ZTFGCOKTSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849526287 1069120105 /nfs/dbraw/zinc/12/01/05/1069120105.db2.gz RJSDIFTWQGSEGC-DNQXCXABSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526336 1069120994 /nfs/dbraw/zinc/12/09/94/1069120994.db2.gz SDXAKISNQVBELQ-VXKWHMMOSA-N 1 0 492.495 4.322 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300582435 1069122011 /nfs/dbraw/zinc/12/20/11/1069122011.db2.gz ICPLRTBOOVGYSK-VSKRKVRLSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001354338045 1069122027 /nfs/dbraw/zinc/12/20/27/1069122027.db2.gz BHHMLSQHPADDEK-SIKLNZKXSA-N 1 0 457.571 4.197 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525624 1069122398 /nfs/dbraw/zinc/12/23/98/1069122398.db2.gz RFSHWVDHYOVOSI-ISKFKSNPSA-N 1 0 451.590 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526676 1069126144 /nfs/dbraw/zinc/12/61/44/1069126144.db2.gz SQXBXODIPCZBFP-MAODMQOUSA-N 1 0 479.488 4.294 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849535249 1069148211 /nfs/dbraw/zinc/14/82/11/1069148211.db2.gz OJWPCPVJYODWFO-LOSJGSFVSA-N 1 0 486.682 4.120 20 0 JIADRO CN(C)C(=O)COc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001354382437 1069159854 /nfs/dbraw/zinc/15/98/54/1069159854.db2.gz LPLABRVTOFHNJW-DHIUTWEWSA-N 1 0 463.603 4.069 20 0 JIADRO COc1ccccc1CCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300593381 1069163435 /nfs/dbraw/zinc/16/34/35/1069163435.db2.gz OAXSTOKMBUTGPK-UHFFFAOYSA-N 1 0 453.656 4.492 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300597868 1069177330 /nfs/dbraw/zinc/17/73/30/1069177330.db2.gz ANBIERJFRZQZCJ-XMMPIXPASA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300597908 1069177434 /nfs/dbraw/zinc/17/74/34/1069177434.db2.gz BXTFWUQPEKMRHS-DEOSSOPVSA-N 1 0 479.673 4.295 20 0 JIADRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849546294 1069180918 /nfs/dbraw/zinc/18/09/18/1069180918.db2.gz AKLHEMQEBLKWDK-DQEYMECFSA-N 1 0 454.659 4.360 20 0 JIADRO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300600195 1069185856 /nfs/dbraw/zinc/18/58/56/1069185856.db2.gz VRAPZFOVWCVVHV-ISKFKSNPSA-N 1 0 455.647 4.149 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548284 1069185789 /nfs/dbraw/zinc/18/57/89/1069185789.db2.gz MQJFQUMDFRQTSY-FCHUYYIVSA-N 1 0 474.590 4.405 20 0 JIADRO CN(Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550471 1069189238 /nfs/dbraw/zinc/18/92/38/1069189238.db2.gz XQNPLDOWHAMGAV-PKTZIBPZSA-N 1 0 485.588 4.113 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550392 1069189565 /nfs/dbraw/zinc/18/95/65/1069189565.db2.gz DFUVDMZULAHUSN-VXKWHMMOSA-N 1 0 452.986 4.004 20 0 JIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849550075 1069189598 /nfs/dbraw/zinc/18/95/98/1069189598.db2.gz BKERQMMFZPPEGE-NHCUHLMSSA-N 1 0 460.557 4.095 20 0 JIADRO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849551309 1069190594 /nfs/dbraw/zinc/19/05/94/1069190594.db2.gz AIYUXZBJJAVQHN-XZOQPEGZSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549982 1069190642 /nfs/dbraw/zinc/19/06/42/1069190642.db2.gz XDKRAEVQIVCMAV-RTWAWAEBSA-N 1 0 460.504 4.077 20 0 JIADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550535 1069191834 /nfs/dbraw/zinc/19/18/34/1069191834.db2.gz ZGGNWKCVCZTTKH-NHCUHLMSSA-N 1 0 473.499 4.325 20 0 JIADRO COc1ccccc1[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551956 1069193777 /nfs/dbraw/zinc/19/37/77/1069193777.db2.gz LRJHEWIZJROEDX-SNYIIPAISA-N 1 0 452.986 4.023 20 0 JIADRO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849552806 1069195909 /nfs/dbraw/zinc/19/59/09/1069195909.db2.gz GTQJALFMKYCECR-FGZHOGPDSA-N 1 0 450.549 4.176 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554016 1069198248 /nfs/dbraw/zinc/19/82/48/1069198248.db2.gz LFHBPTNJBBMLMA-FGZHOGPDSA-N 1 0 473.459 4.236 20 0 JIADRO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849555726 1069201842 /nfs/dbraw/zinc/20/18/42/1069201842.db2.gz SMHYFTCMETXHPC-DHIUTWEWSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849555804 1069202429 /nfs/dbraw/zinc/20/24/29/1069202429.db2.gz TYCXSNIOGFHZFW-VXKWHMMOSA-N 1 0 462.560 4.491 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000849557031 1069204679 /nfs/dbraw/zinc/20/46/79/1069204679.db2.gz YDJNVLABNNVXNW-ZEQRLZLVSA-N 1 0 452.599 4.420 20 0 JIADRO COc1ccc(-c2csc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849560216 1069207766 /nfs/dbraw/zinc/20/77/66/1069207766.db2.gz ZFBITYLFJFQTPZ-BJKOFHAPSA-N 1 0 452.624 4.288 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849563248 1069211529 /nfs/dbraw/zinc/21/15/29/1069211529.db2.gz JHSLMYJFOOLCNZ-RTWAWAEBSA-N 1 0 460.504 4.077 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562552 1069213425 /nfs/dbraw/zinc/21/34/25/1069213425.db2.gz FHRRWJAIAKHJEW-LEWJYISDSA-N 1 0 459.432 4.189 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2I)[C@@H](c2cnn(C)c2)C1 ZINC000849565471 1069213833 /nfs/dbraw/zinc/21/38/33/1069213833.db2.gz WEMYVNDTMSLHDJ-HZPDHXFCSA-N 1 0 486.785 4.131 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300610369 1069214450 /nfs/dbraw/zinc/21/44/50/1069214450.db2.gz NURLMZUVNYAHFA-JOCHJYFZSA-N 1 0 468.690 4.243 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849565354 1069215734 /nfs/dbraw/zinc/21/57/34/1069215734.db2.gz SVWJTXSHKZUQDB-RPBOFIJWSA-N 1 0 480.603 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849565950 1069216518 /nfs/dbraw/zinc/21/65/18/1069216518.db2.gz XOOWPSUBCVRJLC-RTWAWAEBSA-N 1 0 499.413 4.218 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849566884 1069218459 /nfs/dbraw/zinc/21/84/59/1069218459.db2.gz CJFHORLBMIHAPD-RBUKOAKNSA-N 1 0 465.461 4.249 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567542 1069219543 /nfs/dbraw/zinc/21/95/43/1069219543.db2.gz HKEMAAXSOQZZOA-HYZYYIOASA-N 1 0 476.621 4.157 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569680 1069221287 /nfs/dbraw/zinc/22/12/87/1069221287.db2.gz VPGIMNTWPIGKIV-RTWAWAEBSA-N 1 0 476.968 4.483 20 0 JIADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849572036 1069223473 /nfs/dbraw/zinc/22/34/73/1069223473.db2.gz MTKJTAHKJSXJGB-MSOLQXFVSA-N 1 0 473.419 4.005 20 0 JIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849572699 1069224397 /nfs/dbraw/zinc/22/43/97/1069224397.db2.gz PDYMNUALYWCWGO-GOTSBHOMSA-N 1 0 462.642 4.010 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576207 1069229288 /nfs/dbraw/zinc/22/92/88/1069229288.db2.gz HRRXOIWRNQRIPL-OKZBNKHCSA-N 1 0 473.337 4.028 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849579940 1069230729 /nfs/dbraw/zinc/23/07/29/1069230729.db2.gz SXMOFCYNBVMHFA-AKIFATBCSA-N 1 0 477.678 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849578751 1069230766 /nfs/dbraw/zinc/23/07/66/1069230766.db2.gz XNFZGRRLILUWTF-WDYCEAGBSA-N 1 0 474.474 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(Br)ccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849579636 1069231648 /nfs/dbraw/zinc/23/16/48/1069231648.db2.gz XVZLERUDAACZMF-ZWKOTPCHSA-N 1 0 498.263 4.075 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849584519 1069234529 /nfs/dbraw/zinc/23/45/29/1069234529.db2.gz XOXBDYDMMPOTHJ-KVSKMBFKSA-N 1 0 451.398 4.181 20 0 JIADRO CC[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000849584124 1069234712 /nfs/dbraw/zinc/23/47/12/1069234712.db2.gz WWHXXQCFNOHSPZ-QRQLOZEOSA-N 1 0 453.414 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849584734 1069235392 /nfs/dbraw/zinc/23/53/92/1069235392.db2.gz ZONNGZHZERZWOT-UXPWSPDFSA-N 1 0 467.441 4.467 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586746 1069238847 /nfs/dbraw/zinc/23/88/47/1069238847.db2.gz FTBOXUGEVMFMHR-IRXDYDNUSA-N 1 0 461.994 4.242 20 0 JIADRO CCCC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587873 1069240001 /nfs/dbraw/zinc/24/00/01/1069240001.db2.gz VSPQJOXISBFTLH-XPNTWCBSSA-N 1 0 461.448 4.440 20 0 JIADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589720 1069242234 /nfs/dbraw/zinc/24/22/34/1069242234.db2.gz SYOWPGPODQWEAA-URVUXULASA-N 1 0 473.459 4.360 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccn2ncc(Br)c12 ZINC001354467927 1069242114 /nfs/dbraw/zinc/24/21/14/1069242114.db2.gz MOTQSHCMKIIYBF-UHFFFAOYSA-N 1 0 455.360 4.041 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849592203 1069243489 /nfs/dbraw/zinc/24/34/89/1069243489.db2.gz KERUOGCBQGFBGI-HUUCEWRRSA-N 1 0 457.775 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849593131 1069244612 /nfs/dbraw/zinc/24/46/12/1069244612.db2.gz SQAIHXCPBWBXRT-CLJLJLNGSA-N 1 0 462.663 4.492 20 0 JIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(-c2ccccc2)cc1Br ZINC001354476588 1069246121 /nfs/dbraw/zinc/24/61/21/1069246121.db2.gz IBTNMQHCRHWKSM-LJQANCHMSA-N 1 0 453.384 4.229 20 0 JIADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849595115 1069247343 /nfs/dbraw/zinc/24/73/43/1069247343.db2.gz ZEEIQCOCWFBODJ-MSOLQXFVSA-N 1 0 462.438 4.152 20 0 JIADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595118 1069248105 /nfs/dbraw/zinc/24/81/05/1069248105.db2.gz ZEEIQCOCWFBODJ-ZWKOTPCHSA-N 1 0 462.438 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849596144 1069249140 /nfs/dbraw/zinc/24/91/40/1069249140.db2.gz NHEWQMRNDCFOJR-XZOQPEGZSA-N 1 0 497.640 4.002 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300622881 1069249506 /nfs/dbraw/zinc/24/95/06/1069249506.db2.gz UAELSZJGZQAFRH-FQEVSTJZSA-N 1 0 453.587 4.243 20 0 JIADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849599816 1069256822 /nfs/dbraw/zinc/25/68/22/1069256822.db2.gz BLGUGKFMCKKVBD-NKKJXINNSA-N 1 0 467.658 4.117 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849599678 1069257138 /nfs/dbraw/zinc/25/71/38/1069257138.db2.gz BGCFYPLSYLPMSJ-MOPGFXCFSA-N 1 0 492.571 4.334 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@H](C)c2ccco2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300627682 1069264365 /nfs/dbraw/zinc/26/43/65/1069264365.db2.gz NBNOBVATMNSLNM-LJQANCHMSA-N 1 0 485.654 4.484 20 0 JIADRO COc1cccc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc2)c1 ZINC000849608023 1069264565 /nfs/dbraw/zinc/26/45/65/1069264565.db2.gz MDCYTBHWNFTISC-XZOQPEGZSA-N 1 0 465.623 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849610761 1069272149 /nfs/dbraw/zinc/27/21/49/1069272149.db2.gz OACJSXUBKQXXSF-PKOBYXMFSA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2nccs2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300629772 1069272753 /nfs/dbraw/zinc/27/27/53/1069272753.db2.gz DAIRNTAFBUNRTK-IBGZPJMESA-N 1 0 470.643 4.079 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612651 1069275127 /nfs/dbraw/zinc/27/51/27/1069275127.db2.gz MPXGSUUVRGPWNW-RBUKOAKNSA-N 1 0 459.497 4.129 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300632954 1069284960 /nfs/dbraw/zinc/28/49/60/1069284960.db2.gz PNSHOPGSFASZPM-UMTXDNHDSA-N 1 0 485.673 4.239 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529718 1069304987 /nfs/dbraw/zinc/30/49/87/1069304987.db2.gz OTQGVQJACCYVFF-RDPSFJRHSA-N 1 0 451.567 4.037 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300640252 1069305284 /nfs/dbraw/zinc/30/52/84/1069305284.db2.gz VCUYYPZSCMGOTE-IPJJNNNSSA-N 1 0 485.654 4.091 20 0 JIADRO C[NH+]1CCC(N(C(=S)Nc2ccc(F)c(F)c2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001200694694 1069308163 /nfs/dbraw/zinc/30/81/63/1069308163.db2.gz JGRAWJSAHGYOTJ-UHFFFAOYSA-N 1 0 468.614 4.457 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001300641741 1069309508 /nfs/dbraw/zinc/30/95/08/1069309508.db2.gz HRBKXXFUQVOROW-HFZDXXHNSA-N 1 0 485.673 4.284 20 0 JIADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164409865 718865920 /nfs/dbraw/zinc/86/59/20/718865920.db2.gz VCIHZGRJPZSHNB-CXAGYDPISA-N 1 0 462.850 4.175 20 0 JIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164414461 718880928 /nfs/dbraw/zinc/88/09/28/718880928.db2.gz UNYDUNFALXGGQS-SFHVURJKSA-N 1 0 495.615 4.056 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423348 718939634 /nfs/dbraw/zinc/93/96/34/718939634.db2.gz IDPYHITVRICTEZ-UXHICEINSA-N 1 0 470.907 4.108 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164617860 719011754 /nfs/dbraw/zinc/01/17/54/719011754.db2.gz QGJDYGAQJUPBAV-DYESRHJHSA-N 1 0 453.961 4.004 20 0 JIADRO CCOC(=O)[C@@]12C[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164622759 719040995 /nfs/dbraw/zinc/04/09/95/719040995.db2.gz LHDJLMCKNSVCLA-AFMDSPMNSA-N 1 0 467.997 4.288 20 0 JIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)[C@@H]3C2)cc1 ZINC001164627351 719084823 /nfs/dbraw/zinc/08/48/23/719084823.db2.gz QNZRJXDDABYCRJ-RCZVLFRGSA-N 1 0 455.610 4.025 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2 ZINC001164664069 719345960 /nfs/dbraw/zinc/34/59/60/719345960.db2.gz QAWWSHPEQOHNEN-UHFFFAOYSA-N 1 0 457.626 4.080 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682951 719629789 /nfs/dbraw/zinc/62/97/89/719629789.db2.gz PZSMQXRTBPHCJN-UHFFFAOYSA-N 1 0 485.991 4.389 20 0 JIADRO Cc1cc2c(ncnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164684574 719655545 /nfs/dbraw/zinc/65/55/45/719655545.db2.gz YDLFNFNUMKWUGJ-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO Cc1nc2ccc(F)cc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685389 719662540 /nfs/dbraw/zinc/66/25/40/719662540.db2.gz ZXICMKVNYTVOBT-HXUWFJFHSA-N 1 0 475.612 4.171 20 0 JIADRO Cc1cc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(Cl)n1 ZINC001164681657 719665160 /nfs/dbraw/zinc/66/51/60/719665160.db2.gz POBADMQVGKFRIP-SFHVURJKSA-N 1 0 492.014 4.077 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4ncccc34)CC2)c2ccccc21 ZINC001164681456 719665725 /nfs/dbraw/zinc/66/57/25/719665725.db2.gz KTEQBFFPZXITGY-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c(F)cccc43)CC2)c2ccccc21 ZINC001164681506 719671417 /nfs/dbraw/zinc/67/14/17/719671417.db2.gz MFESCHNMKZMQLH-FQEVSTJZSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(Cl)ccnc4n3)CC2)c2ccccc21 ZINC001164681512 719671943 /nfs/dbraw/zinc/67/19/43/719671943.db2.gz MIJGZPQEGZFUGV-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4cccc(F)c4n3)CC2)c2ccccc21 ZINC001164679974 719675466 /nfs/dbraw/zinc/67/54/66/719675466.db2.gz ABTWKXMNMYUEQK-NRFANRHFSA-N 1 0 460.597 4.467 20 0 JIADRO Cc1cc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2cc1C ZINC001164688229 719681855 /nfs/dbraw/zinc/68/18/55/719681855.db2.gz YNMOHGCLEZNDKV-QFIPXVFZSA-N 1 0 471.649 4.340 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4c(nc3Cl)CCCC4)CC2)c2ccccc21 ZINC001164686463 719683277 /nfs/dbraw/zinc/68/32/77/719683277.db2.gz NAVKGXKKQIJLPE-IBGZPJMESA-N 1 0 482.072 4.102 20 0 JIADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692300 719811675 /nfs/dbraw/zinc/81/16/75/719811675.db2.gz PGVSKSXHJXWNMN-PLNGDYQASA-N 1 0 451.596 4.149 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1Cl ZINC001164694602 719888955 /nfs/dbraw/zinc/88/89/55/719888955.db2.gz AXIABBBQEPNFAM-UHFFFAOYSA-N 1 0 470.422 4.498 20 0 JIADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694885 719892367 /nfs/dbraw/zinc/89/23/67/719892367.db2.gz GUUBESNEZUFXKB-SFHVURJKSA-N 1 0 489.045 4.112 20 0 JIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4ccccc4)CC3)C2)c1 ZINC001164698353 719893482 /nfs/dbraw/zinc/89/34/82/719893482.db2.gz RVCPMYYNYOQPPR-UHFFFAOYSA-N 1 0 459.619 4.413 20 0 JIADRO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2[nH]cnc21 ZINC001164697635 719897167 /nfs/dbraw/zinc/89/71/67/719897167.db2.gz MIGPJHJKDGLUQJ-UHFFFAOYSA-N 1 0 484.626 4.238 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001164719533 720108816 /nfs/dbraw/zinc/10/88/16/720108816.db2.gz YOSGXUGRYQPIRY-SFHVURJKSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164714190 720114913 /nfs/dbraw/zinc/11/49/13/720114913.db2.gz ALSSEVYPCKODKC-FQEVSTJZSA-N 1 0 456.034 4.301 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)c(Cl)n1)CC2 ZINC001164716948 720124073 /nfs/dbraw/zinc/12/40/73/720124073.db2.gz MDGJBMVKOKBUIN-GOSISDBHSA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815871 720140486 /nfs/dbraw/zinc/14/04/86/720140486.db2.gz WPQFIJBADIYDNI-OSPHWJPCSA-N 1 0 493.048 4.050 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164711698 720142795 /nfs/dbraw/zinc/14/27/95/720142795.db2.gz HZARGIYKGXWKCW-JOCHJYFZSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164710774 720149894 /nfs/dbraw/zinc/14/98/94/720149894.db2.gz CFOKQIOPFGEHHX-JOCHJYFZSA-N 1 0 462.598 4.158 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817791 720169143 /nfs/dbraw/zinc/16/91/43/720169143.db2.gz QFWUGDDCAYONRY-RBTNQOKQSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819808 720170263 /nfs/dbraw/zinc/17/02/63/720170263.db2.gz YITLWXSMDITWAH-HRFSGMKKSA-N 1 0 475.662 4.427 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819803 720170824 /nfs/dbraw/zinc/17/08/24/720170824.db2.gz YITLWXSMDITWAH-CCLHPLFOSA-N 1 0 475.662 4.427 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816809 720184984 /nfs/dbraw/zinc/18/49/84/720184984.db2.gz MUVCDFUXIKSSFW-XHCCPWGMSA-N 1 0 490.677 4.212 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164818568 720245267 /nfs/dbraw/zinc/24/52/67/720245267.db2.gz ZMWFIDFYASUCGA-UHFFFAOYSA-N 1 0 483.016 4.292 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164831999 720322976 /nfs/dbraw/zinc/32/29/76/720322976.db2.gz SSNJUYFTQJLLHD-MOPGFXCFSA-N 1 0 498.405 4.393 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827492 720338986 /nfs/dbraw/zinc/33/89/86/720338986.db2.gz MHIOTEOHDLYQNA-VXKWHMMOSA-N 1 0 498.741 4.061 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164830746 720340820 /nfs/dbraw/zinc/34/08/20/720340820.db2.gz WUJMIBBEMOKHKQ-VXKWHMMOSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001164828329 720347865 /nfs/dbraw/zinc/34/78/65/720347865.db2.gz OGSFWVDPUKGQJB-RRPNLBNLSA-N 1 0 488.680 4.045 20 0 JIADRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164828373 720349926 /nfs/dbraw/zinc/34/99/26/720349926.db2.gz ONEHYNJFLDDTTK-RPBOFIJWSA-N 1 0 482.072 4.249 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164826492 720354127 /nfs/dbraw/zinc/35/41/27/720354127.db2.gz KDLLPXWSNZBGRE-VXKWHMMOSA-N 1 0 484.044 4.396 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164823565 720355926 /nfs/dbraw/zinc/35/59/26/720355926.db2.gz HBRNWBVBMGPHQS-FCHUYYIVSA-N 1 0 481.031 4.460 20 0 JIADRO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820394 720388550 /nfs/dbraw/zinc/38/85/50/720388550.db2.gz AOAPINLKRIEZRL-SLQPCKNISA-N 1 0 476.646 4.358 20 0 JIADRO Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822205 720393510 /nfs/dbraw/zinc/39/35/10/720393510.db2.gz KOPKHGRTWLMYDJ-NJDAHSKKSA-N 1 0 497.011 4.375 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732919 720439636 /nfs/dbraw/zinc/43/96/36/720439636.db2.gz OUUHVCHTBGTWJO-RTWAWAEBSA-N 1 0 450.656 4.398 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842023 720532460 /nfs/dbraw/zinc/53/24/60/720532460.db2.gz WEHZURIXKKLNAS-BHIFYINESA-N 1 0 451.018 4.295 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839000 720537992 /nfs/dbraw/zinc/53/79/92/720537992.db2.gz PMAHWZFSGUYHDV-DBXWQHBBSA-N 1 0 483.016 4.034 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837326 720556404 /nfs/dbraw/zinc/55/64/04/720556404.db2.gz LTBFDOASEUTVAV-CUYJMHBOSA-N 1 0 455.610 4.054 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837292 720580566 /nfs/dbraw/zinc/58/05/66/720580566.db2.gz HXBSQWXCIXHYSK-LLGFUMIMSA-N 1 0 476.959 4.282 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164743634 720593664 /nfs/dbraw/zinc/59/36/64/720593664.db2.gz PUIBGKUTVGLNKH-UHFFFAOYSA-N 1 0 452.990 4.340 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@@H]21 ZINC001164838773 720631734 /nfs/dbraw/zinc/63/17/34/720631734.db2.gz LSDVJKLHMQDYHG-IPJJNNNSSA-N 1 0 459.623 4.328 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843130 720643358 /nfs/dbraw/zinc/64/33/58/720643358.db2.gz WNFYDKKYPOTIAM-SVFBPWRDSA-N 1 0 452.990 4.497 20 0 JIADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738563 720657737 /nfs/dbraw/zinc/65/77/37/720657737.db2.gz KMUQQKXLBGSEKB-UXHICEINSA-N 1 0 457.912 4.079 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164839930 720665768 /nfs/dbraw/zinc/66/57/68/720665768.db2.gz KYUDJGFICWZVHD-XMMPIXPASA-N 1 0 462.638 4.404 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164844484 720689807 /nfs/dbraw/zinc/68/98/07/720689807.db2.gz SHQYKABYKKXLLF-SFTDATJTSA-N 1 0 497.043 4.439 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164840498 720699261 /nfs/dbraw/zinc/69/92/61/720699261.db2.gz FPILNTNLEOEJEM-RUZDIDTESA-N 1 0 499.663 4.184 20 0 JIADRO Cc1cc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(N3CCOCC3)c2s1 ZINC001164843224 720699537 /nfs/dbraw/zinc/69/95/37/720699537.db2.gz NFMROKANSGXSTI-JOCHJYFZSA-N 1 0 493.677 4.096 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164840298 720717007 /nfs/dbraw/zinc/71/70/07/720717007.db2.gz ORTULFCKYOZQNU-MBSDFSHPSA-N 1 0 484.950 4.195 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164736878 720719385 /nfs/dbraw/zinc/71/93/85/720719385.db2.gz CADZPVSSENPBCJ-FPOVZHCZSA-N 1 0 488.979 4.091 20 0 JIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844903 720740787 /nfs/dbraw/zinc/74/07/87/720740787.db2.gz VEMZGGOACHKBJH-HSZRJFAPSA-N 1 0 456.953 4.173 20 0 JIADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164841887 720744205 /nfs/dbraw/zinc/74/42/05/720744205.db2.gz AKOHVMWTIJFVCD-UHFFFAOYSA-N 1 0 481.334 4.171 20 0 JIADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164738265 720763881 /nfs/dbraw/zinc/76/38/81/720763881.db2.gz FIFWHKANGNRCFG-CVEARBPZSA-N 1 0 476.631 4.040 20 0 JIADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164744627 720845923 /nfs/dbraw/zinc/84/59/23/720845923.db2.gz LAALRLOQAOCMOY-PWRODBHTSA-N 1 0 451.663 4.043 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748134 720854355 /nfs/dbraw/zinc/85/43/55/720854355.db2.gz KKLITVKSESZKEQ-IEIRFRATSA-N 1 0 499.997 4.313 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164743884 720854657 /nfs/dbraw/zinc/85/46/57/720854657.db2.gz ARZGMJFUVSVLHP-MPYJOUPCSA-N 1 0 498.679 4.105 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748751 720857713 /nfs/dbraw/zinc/85/77/13/720857713.db2.gz LXQXWLBVIGFYLC-PRVBGKCFSA-N 1 0 495.631 4.180 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744664 720859053 /nfs/dbraw/zinc/85/90/53/720859053.db2.gz CDKFYCZGECMEKT-FDFHNCONSA-N 1 0 494.043 4.456 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164859670 720861900 /nfs/dbraw/zinc/86/19/00/720861900.db2.gz VEJUOQMMNGOETL-NTKDMRAZSA-N 1 0 483.012 4.132 20 0 JIADRO COc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164749030 720868794 /nfs/dbraw/zinc/86/87/94/720868794.db2.gz GGNXCVGBHIHBJH-ZBLYBZFDSA-N 1 0 494.039 4.442 20 0 JIADRO Clc1ccnc2c1ccnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747264 720876252 /nfs/dbraw/zinc/87/62/52/720876252.db2.gz AYJCGKZUBTUZKC-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164863111 720876340 /nfs/dbraw/zinc/87/63/40/720876340.db2.gz SNTWTLBHYOWVJE-QZTJIDSGSA-N 1 0 458.653 4.210 20 0 JIADRO c1ccc(Oc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754558 720877867 /nfs/dbraw/zinc/87/78/67/720877867.db2.gz SAWBGYDYHFUANM-RBJSKKJNSA-N 1 0 471.605 4.419 20 0 JIADRO COc1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752968 720879449 /nfs/dbraw/zinc/87/94/49/720879449.db2.gz OADBZNDJSBWVFB-CUBQBAPOSA-N 1 0 458.606 4.394 20 0 JIADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164757201 720882859 /nfs/dbraw/zinc/88/28/59/720882859.db2.gz UHSSROZWASTDOP-OFNKIYASSA-N 1 0 477.987 4.133 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001164862191 720884095 /nfs/dbraw/zinc/88/40/95/720884095.db2.gz RDWJNNSSCKUDSO-UTKZUKDTSA-N 1 0 469.935 4.260 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164757141 720885104 /nfs/dbraw/zinc/88/51/04/720885104.db2.gz SWUUAKTYQJTABU-KDYSTLNUSA-N 1 0 494.039 4.442 20 0 JIADRO Clc1cnc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164753501 720886261 /nfs/dbraw/zinc/88/62/61/720886261.db2.gz HDAVLHCEMNQWIR-NVQXNPDNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cc(C2CC2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755022 720891979 /nfs/dbraw/zinc/89/19/79/720891979.db2.gz KHMZRHXQDPTNCC-SQJMNOBHSA-N 1 0 454.018 4.158 20 0 JIADRO CC(C)(C)Oc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757129 720894555 /nfs/dbraw/zinc/89/45/55/720894555.db2.gz STNGREVHRDVACM-WNCULLNHSA-N 1 0 450.627 4.409 20 0 JIADRO Clc1ccc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757160 720895065 /nfs/dbraw/zinc/89/50/65/720895065.db2.gz TUAOBIPGWXFUPE-BKMJKUGQSA-N 1 0 464.013 4.433 20 0 JIADRO COC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756948 720897236 /nfs/dbraw/zinc/89/72/36/720897236.db2.gz SLMGZMRBNWISGH-PWUYWRBVSA-N 1 0 486.616 4.172 20 0 JIADRO CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757483 720898873 /nfs/dbraw/zinc/89/88/73/720898873.db2.gz VDLHZUYJKTXXOU-LBNVMWSVSA-N 1 0 478.685 4.253 20 0 JIADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751767 720899257 /nfs/dbraw/zinc/89/92/57/720899257.db2.gz DLHYRYSGXVHRCF-QDPGVEIFSA-N 1 0 458.606 4.394 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753990 720901820 /nfs/dbraw/zinc/90/18/20/720901820.db2.gz IBLCTOLUHGCRJF-VIZCGCQYSA-N 1 0 498.675 4.360 20 0 JIADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755330 720902191 /nfs/dbraw/zinc/90/21/91/720902191.db2.gz KZSIFOKGKBADAL-XMSQKQJNSA-N 1 0 496.027 4.114 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164753633 720908700 /nfs/dbraw/zinc/90/87/00/720908700.db2.gz RSIHHNLMUBGSIC-KDYSTLNUSA-N 1 0 475.662 4.330 20 0 JIADRO Fc1ccc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751299 720916747 /nfs/dbraw/zinc/91/67/47/720916747.db2.gz LDNRPWAXEHUSMU-YWEHKCAJSA-N 1 0 473.596 4.433 20 0 JIADRO COc1ccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753169 720917080 /nfs/dbraw/zinc/91/70/80/720917080.db2.gz QQOMCNWDLYWOHE-VAVYLYDRSA-N 1 0 485.632 4.302 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748459 720934158 /nfs/dbraw/zinc/93/41/58/720934158.db2.gz GEQOWLFOAFUQLA-LSYYVWMOSA-N 1 0 477.653 4.196 20 0 JIADRO CCc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)nc1C ZINC001164748426 720936069 /nfs/dbraw/zinc/93/60/69/720936069.db2.gz GBKIGUNVAKHIIM-OFVILXPXSA-N 1 0 456.034 4.151 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)[C@H]2C ZINC001164861950 720988485 /nfs/dbraw/zinc/98/84/85/720988485.db2.gz RPWYRLVGYLHYSP-AWEZNQCLSA-N 1 0 450.921 4.326 20 0 JIADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164866055 721068430 /nfs/dbraw/zinc/06/84/30/721068430.db2.gz CCYRNMZRNMZBLU-HUUCEWRRSA-N 1 0 464.784 4.465 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880691 721148564 /nfs/dbraw/zinc/14/85/64/721148564.db2.gz XCRGIUOBYSXGQX-UXHICEINSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880690 721150087 /nfs/dbraw/zinc/15/00/87/721150087.db2.gz XCRGIUOBYSXGQX-PMACEKPBSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880730 721171664 /nfs/dbraw/zinc/17/16/64/721171664.db2.gz XJEHEBHANDRTMX-LEWJYISDSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879139 721174484 /nfs/dbraw/zinc/17/44/84/721174484.db2.gz RXNLUDLJNJCTCM-HUUCEWRRSA-N 1 0 462.850 4.173 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867819 721185442 /nfs/dbraw/zinc/18/54/42/721185442.db2.gz IIGAFUISFNTZTA-RBBKRZOGSA-N 1 0 465.985 4.359 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164761245 721189434 /nfs/dbraw/zinc/18/94/34/721189434.db2.gz AINKDCSJJFEGPN-STQMWFEESA-N 1 0 450.748 4.279 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164767886 721242469 /nfs/dbraw/zinc/24/24/69/721242469.db2.gz WWMDTBYFNOJDIT-UXHICEINSA-N 1 0 452.990 4.177 20 0 JIADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164768918 721245212 /nfs/dbraw/zinc/24/52/12/721245212.db2.gz YMZBXXYMARHSSR-VQTJNVASSA-N 1 0 472.971 4.342 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164759778 721247279 /nfs/dbraw/zinc/24/72/79/721247279.db2.gz BQZVATRJFIWLCR-ZWKOTPCHSA-N 1 0 476.934 4.173 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164877997 721315933 /nfs/dbraw/zinc/31/59/33/721315933.db2.gz MCNWCCWYIVOCJE-ZLGUVYLKSA-N 1 0 476.955 4.114 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(F)cccc43)C2)C1 ZINC001164779253 721347862 /nfs/dbraw/zinc/34/78/62/721347862.db2.gz RWNDGAGSTBQUGL-HSZRJFAPSA-N 1 0 459.953 4.146 20 0 JIADRO CCOc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1OCC ZINC001164779771 721350737 /nfs/dbraw/zinc/35/07/37/721350737.db2.gz WIZQHCALCGAAIG-HHHXNRCGSA-N 1 0 495.624 4.151 20 0 JIADRO O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccsc1 ZINC001164881645 721360641 /nfs/dbraw/zinc/36/06/41/721360641.db2.gz FSUXMOMVBQYRBJ-MSOLQXFVSA-N 1 0 450.942 4.102 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ncnc(Cl)c43)C2)C1 ZINC001164787030 721363228 /nfs/dbraw/zinc/36/32/28/721363228.db2.gz XKZFWNJVPFZQEI-HSZRJFAPSA-N 1 0 459.953 4.146 20 0 JIADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ccn4C(C)C)C2)C1 ZINC001164785159 721364307 /nfs/dbraw/zinc/36/43/07/721364307.db2.gz SCZJDEBIAKWBIX-XMMPIXPASA-N 1 0 473.021 4.389 20 0 JIADRO CCc1nc2sc3c(c2c(N2CCC[C@@]4(C2)COCC[N@H+](Cc2c(C)noc2C)C4)n1)CCC3 ZINC001164783860 721365712 /nfs/dbraw/zinc/36/57/12/721365712.db2.gz PVHMPFZMRLWGQO-AREMUKBSSA-N 1 0 481.666 4.466 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164783798 721367307 /nfs/dbraw/zinc/36/73/07/721367307.db2.gz PMNVOIJYSGDCNL-SANMLTNESA-N 1 0 490.633 4.477 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccsc4)n3)C2)C1 ZINC001164784255 721369810 /nfs/dbraw/zinc/36/98/10/721369810.db2.gz RAQPLQCTKNQXJK-DEOSSOPVSA-N 1 0 453.612 4.237 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccc(F)cc43)C2)C1 ZINC001164783113 721370612 /nfs/dbraw/zinc/37/06/12/721370612.db2.gz PHRVKBOGYHFGDJ-HSZRJFAPSA-N 1 0 459.953 4.146 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccccc6)c54)C3)O2)CC1 ZINC001164892937 721396296 /nfs/dbraw/zinc/39/62/96/721396296.db2.gz UUVSHYIWSMUOOS-LVXARBLLSA-N 1 0 463.651 4.124 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892853 721398069 /nfs/dbraw/zinc/39/80/69/721398069.db2.gz TZWMXTBLKYQNLM-ZJSXRUAMSA-N 1 0 492.014 4.107 20 0 JIADRO 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CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164969781 722082472 /nfs/dbraw/zinc/08/24/72/722082472.db2.gz SNXKDGDVSCZZPY-ISJGIBHGSA-N 1 0 466.601 4.022 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164969780 722082536 /nfs/dbraw/zinc/08/25/36/722082536.db2.gz SNXKDGDVSCZZPY-GVAUOCQISA-N 1 0 466.601 4.022 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981027 722108305 /nfs/dbraw/zinc/10/83/05/722108305.db2.gz SBUHTLXPNBMKPC-REWPJTCUSA-N 1 0 485.966 4.464 20 0 JIADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164982743 722141810 /nfs/dbraw/zinc/14/18/10/722141810.db2.gz SHCRMMKGVFSKLS-GMAHTHKFSA-N 1 0 498.656 4.364 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982616 722150169 /nfs/dbraw/zinc/15/01/69/722150169.db2.gz RSTBGQASVWOSIY-NZQKXSOJSA-N 1 0 485.966 4.464 20 0 JIADRO 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C[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009774 722274042 /nfs/dbraw/zinc/27/40/42/722274042.db2.gz QZBNINKNHUCURZ-UWBJMHDUSA-N 1 0 497.643 4.438 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCSC ZINC001300643739 1069314499 /nfs/dbraw/zinc/31/44/99/1069314499.db2.gz RYSQIGDTCABETL-UHFFFAOYSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccc(COCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001354545369 1069320056 /nfs/dbraw/zinc/32/00/56/1069320056.db2.gz KRAZJUZOCBQWHH-OAQYLSRUSA-N 1 0 450.501 4.125 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492593707 1069334861 /nfs/dbraw/zinc/33/48/61/1069334861.db2.gz WZARKTOPQBTVMF-XMMPIXPASA-N 1 0 459.642 4.438 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H]2CSC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300651378 1069335278 /nfs/dbraw/zinc/33/52/78/1069335278.db2.gz YBYIYYGGWXEUGL-RTWAWAEBSA-N 1 0 473.687 4.318 20 0 JIADRO COCCN(C(=S)Nc1ccc(Br)cc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001200710689 1069352017 /nfs/dbraw/zinc/35/20/17/1069352017.db2.gz FXNKSEVKENWVIC-UHFFFAOYSA-N 1 0 470.355 4.087 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300659673 1069364894 /nfs/dbraw/zinc/36/48/94/1069364894.db2.gz FDXNWHJIDYTKEL-WMZHIEFXSA-N 1 0 485.654 4.339 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001300670699 1069403347 /nfs/dbraw/zinc/40/33/47/1069403347.db2.gz VOWMDOUGGKECHL-PXNSSMCTSA-N 1 0 499.603 4.221 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300671988 1069408794 /nfs/dbraw/zinc/40/87/94/1069408794.db2.gz FLYGSIYDHKVQKF-GLDPYIMESA-N 1 0 475.728 4.499 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCCC1 ZINC001359347698 1069420927 /nfs/dbraw/zinc/42/09/27/1069420927.db2.gz QFURHILJIYNSQC-XDOYNYLZSA-N 1 0 473.625 4.341 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCOC(C)C ZINC001300676099 1069422714 /nfs/dbraw/zinc/42/27/14/1069422714.db2.gz ADNYNKWGLORAAI-UHFFFAOYSA-N 1 0 473.687 4.459 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359348674 1069424353 /nfs/dbraw/zinc/42/43/53/1069424353.db2.gz KJRXQROTWVWULL-NBTKFEILSA-N 1 0 450.631 4.033 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1cccc(C)n1 ZINC001300677446 1069431225 /nfs/dbraw/zinc/43/12/25/1069431225.db2.gz OOYWAVISGPEOKI-UHFFFAOYSA-N 1 0 480.682 4.446 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359350954 1069431792 /nfs/dbraw/zinc/43/17/92/1069431792.db2.gz UBRSUCHZYILBIE-XUZZJYLKSA-N 1 0 466.674 4.149 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCOCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300677893 1069433896 /nfs/dbraw/zinc/43/38/96/1069433896.db2.gz WGVNOYGTELNZHG-FQEVSTJZSA-N 1 0 459.660 4.070 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359352387 1069435820 /nfs/dbraw/zinc/43/58/20/1069435820.db2.gz WSNDTFVAKUNQMB-OYRHEFFESA-N 1 0 484.664 4.289 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359356213 1069443074 /nfs/dbraw/zinc/44/30/74/1069443074.db2.gz IHTCRYWTMHBFRK-NRFANRHFSA-N 1 0 473.065 4.169 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359363454 1069456564 /nfs/dbraw/zinc/45/65/64/1069456564.db2.gz SDHBZJFMHOYYCN-QHCPKHFHSA-N 1 0 498.741 4.448 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001359383171 1069487573 /nfs/dbraw/zinc/48/75/73/1069487573.db2.gz VBZRCKBGCLKONT-OALUTQOASA-N 1 0 489.064 4.003 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359385446 1069491881 /nfs/dbraw/zinc/49/18/81/1069491881.db2.gz AQNWRGFMKUJLSH-QFIPXVFZSA-N 1 0 480.701 4.423 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC001359394683 1069498955 /nfs/dbraw/zinc/49/89/55/1069498955.db2.gz BKYPEQWUQBQHTB-SMIHKQSGSA-N 1 0 494.728 4.267 20 0 JIADRO CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001359408917 1069521437 /nfs/dbraw/zinc/52/14/37/1069521437.db2.gz DYZZCVMMZWURAL-NZQKXSOJSA-N 1 0 452.647 4.499 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359412291 1069531904 /nfs/dbraw/zinc/53/19/04/1069531904.db2.gz QREVKXGBIRZZRM-YDPRHXJPSA-N 1 0 464.614 4.033 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359412941 1069532816 /nfs/dbraw/zinc/53/28/16/1069532816.db2.gz LUVVNWKEDJZHQZ-NWSMCOELSA-N 1 0 466.674 4.340 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359424887 1069549994 /nfs/dbraw/zinc/54/99/94/1069549994.db2.gz OIJBEHIOGOMVNA-GMAHTHKFSA-N 1 0 484.714 4.104 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359442828 1069574732 /nfs/dbraw/zinc/57/47/32/1069574732.db2.gz GFPSHDXROCYARR-FGZHOGPDSA-N 1 0 498.691 4.119 20 0 JIADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001359490907 1069698744 /nfs/dbraw/zinc/69/87/44/1069698744.db2.gz DPUDVBIJJOBZFP-RUZDIDTESA-N 1 0 494.728 4.318 20 0 JIADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001359491733 1069708962 /nfs/dbraw/zinc/70/89/62/1069708962.db2.gz SUYBLYDKJGTYPP-NRFANRHFSA-N 1 0 460.711 4.220 20 0 JIADRO CC(C)(C)c1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001359500905 1069761610 /nfs/dbraw/zinc/76/16/10/1069761610.db2.gz NEGLCYOYVLKGLF-UHFFFAOYSA-N 1 0 487.649 4.114 20 0 JIADRO CC(C)(C)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359501187 1069762362 /nfs/dbraw/zinc/76/23/62/1069762362.db2.gz XDKKTJHCCGDMLQ-LJQANCHMSA-N 1 0 461.601 4.260 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359514540 1069800858 /nfs/dbraw/zinc/80/08/58/1069800858.db2.gz NQGSDBSAIKSWCH-UHFFFAOYSA-N 1 0 457.566 4.005 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001359514832 1069801210 /nfs/dbraw/zinc/80/12/10/1069801210.db2.gz ZLCKWTNFDIGWCU-UHFFFAOYSA-N 1 0 466.552 4.025 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCCOC1CCCCC1 ZINC001359515286 1069801859 /nfs/dbraw/zinc/80/18/59/1069801859.db2.gz QKJCEKDIHWKSRW-DEOSSOPVSA-N 1 0 469.674 4.171 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359528906 1069818696 /nfs/dbraw/zinc/81/86/96/1069818696.db2.gz AJCKSAHZYHLWFF-SFHVURJKSA-N 1 0 459.708 4.376 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[NH+]1CCCCC1 ZINC001359530787 1069822545 /nfs/dbraw/zinc/82/25/45/1069822545.db2.gz QNTUPHZSSAHBJB-UHFFFAOYSA-N 1 0 467.662 4.143 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359534776 1069828363 /nfs/dbraw/zinc/82/83/63/1069828363.db2.gz COVTXLUKHQAXHA-HSZRJFAPSA-N 1 0 496.700 4.419 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359538070 1069833428 /nfs/dbraw/zinc/83/34/28/1069833428.db2.gz BTODIMAIROWHKC-JOCHJYFZSA-N 1 0 487.737 4.294 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc2c1OCCCO2 ZINC001359537312 1069831984 /nfs/dbraw/zinc/83/19/84/1069831984.db2.gz SOCDDEHJYMJMRN-UHFFFAOYSA-N 1 0 455.647 4.387 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001359538086 1069833660 /nfs/dbraw/zinc/83/36/60/1069833660.db2.gz CDERKHWQJHPMDG-UHFFFAOYSA-N 1 0 472.722 4.362 20 0 JIADRO CC(C)(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359544166 1069843053 /nfs/dbraw/zinc/84/30/53/1069843053.db2.gz GGMJTWRQMYUVGS-UHFFFAOYSA-N 1 0 473.687 4.240 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001300794940 1069847015 /nfs/dbraw/zinc/84/70/15/1069847015.db2.gz LSPONKSUANUJIK-UTKZUKDTSA-N 1 0 487.446 4.029 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC(C)C)CC1 ZINC001492595604 1069847034 /nfs/dbraw/zinc/84/70/34/1069847034.db2.gz FTPSIRCEEPPWRG-DEOSSOPVSA-N 1 0 455.647 4.213 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492595623 1069847098 /nfs/dbraw/zinc/84/70/98/1069847098.db2.gz GFHXQVGLKXFSPI-NRFANRHFSA-N 1 0 482.673 4.117 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ccncc2)CC1 ZINC001359547265 1069852181 /nfs/dbraw/zinc/85/21/81/1069852181.db2.gz IKIPYSIGVXNYPJ-UHFFFAOYSA-N 1 0 450.606 4.204 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001359546214 1069849651 /nfs/dbraw/zinc/84/96/51/1069849651.db2.gz VDCRXZCYXSXZSB-DEOSSOPVSA-N 1 0 482.717 4.035 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001359548148 1069854757 /nfs/dbraw/zinc/85/47/57/1069854757.db2.gz PNDKQEJMMHIVPU-UHFFFAOYSA-N 1 0 459.520 4.113 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001359548949 1069857070 /nfs/dbraw/zinc/85/70/70/1069857070.db2.gz XLCYGGOUHQVLRA-QFBILLFUSA-N 1 0 480.426 4.461 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCS2)CC1 ZINC001359548505 1069855044 /nfs/dbraw/zinc/85/50/44/1069855044.db2.gz DGSHNQCOBWXXQD-QFIPXVFZSA-N 1 0 457.688 4.496 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCCCO)CC1 ZINC001359548588 1069855478 /nfs/dbraw/zinc/85/54/78/1069855478.db2.gz HVKDVMBFJIJZKR-UHFFFAOYSA-N 1 0 464.452 4.181 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001359548713 1069856020 /nfs/dbraw/zinc/85/60/20/1069856020.db2.gz NMEJZTGJVRCBDQ-CTNGQTDRSA-N 1 0 476.065 4.372 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2=CCCCC2)CC1 ZINC001359549001 1069857198 /nfs/dbraw/zinc/85/71/98/1069857198.db2.gz ZRFLJNFBNGLVDA-UHFFFAOYSA-N 1 0 471.671 4.160 20 0 JIADRO CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2nnc(CC3CC3)n2CCC[NH+]2CCCC2)C1 ZINC001359554194 1069864828 /nfs/dbraw/zinc/86/48/28/1069864828.db2.gz CMFIMGAJFFMEQZ-FQEVSTJZSA-N 1 0 496.647 4.188 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCC2)C1 ZINC001359563276 1069890086 /nfs/dbraw/zinc/89/00/86/1069890086.db2.gz IHFNEGCDBBRBKB-SFHVURJKSA-N 1 0 493.027 4.327 20 0 JIADRO CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359570691 1069936788 /nfs/dbraw/zinc/93/67/88/1069936788.db2.gz JNBAQLFPZFXPAY-JOCHJYFZSA-N 1 0 490.693 4.279 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359574148 1069959518 /nfs/dbraw/zinc/95/95/18/1069959518.db2.gz PEWAUTJJGRKHCT-HXUWFJFHSA-N 1 0 460.667 4.163 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359574783 1069961676 /nfs/dbraw/zinc/96/16/76/1069961676.db2.gz KJWWKIJUSPKVOK-OAQYLSRUSA-N 1 0 460.667 4.305 20 0 JIADRO CC(C)(C)[S@@](=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359588540 1070024083 /nfs/dbraw/zinc/02/40/83/1070024083.db2.gz UERCSXPQTPPPKW-GEFUHLBYSA-N 1 0 464.079 4.210 20 0 JIADRO CC(C)(Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001359597084 1070049931 /nfs/dbraw/zinc/04/99/31/1070049931.db2.gz CSOUKTUWMNUUAH-GOSISDBHSA-N 1 0 471.593 4.068 20 0 JIADRO CC(C)=CCCn1c(Cc2ccccc2F)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359611993 1070074867 /nfs/dbraw/zinc/07/48/67/1070074867.db2.gz ZDXBYDOMGRZUTO-UHFFFAOYSA-N 1 0 455.622 4.446 20 0 JIADRO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359612917 1070077508 /nfs/dbraw/zinc/07/75/08/1070077508.db2.gz HIMDOXRSNYVOFW-UHFFFAOYSA-N 1 0 484.664 4.347 20 0 JIADRO 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COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001315479238 1064335662 /nfs/dbraw/zinc/33/56/62/1064335662.db2.gz AANTXFHNTZYXOA-OAQYLSRUSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001315479576 1064337061 /nfs/dbraw/zinc/33/70/61/1064337061.db2.gz MEJCSBDMIDHUPV-UHFFFAOYSA-N 1 0 483.682 4.119 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C[NH+](C)C)c(OC)c1 ZINC001315482525 1064345743 /nfs/dbraw/zinc/34/57/43/1064345743.db2.gz CIGDPCMQFYLCDY-FYYLOGMGSA-N 1 0 487.689 4.438 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315521464 1064485736 /nfs/dbraw/zinc/48/57/36/1064485736.db2.gz VJELHJVWSKJSPR-QFIPXVFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C[C@H]2O ZINC001315527970 1064506525 /nfs/dbraw/zinc/50/65/25/1064506525.db2.gz WUIMATFWKBHLBL-SVFBPWRDSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](c4ccsc4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315529305 1064511189 /nfs/dbraw/zinc/51/11/89/1064511189.db2.gz UUNNJCOZLSKIGZ-XXBNENTESA-N 1 0 499.681 4.481 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315529968 1064512664 /nfs/dbraw/zinc/51/26/64/1064512664.db2.gz RSVISZCOHHTSBV-OYRHEFFESA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315531647 1064517028 /nfs/dbraw/zinc/51/70/28/1064517028.db2.gz MEOYHWDNNSKBLV-IBGZPJMESA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC001315534687 1064524440 /nfs/dbraw/zinc/52/44/40/1064524440.db2.gz SLGKIANECVEKHY-PXDATVDWSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315537034 1064529681 /nfs/dbraw/zinc/52/96/81/1064529681.db2.gz ZWDBVVWIZAYYLQ-WOJBJXKFSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2C[C@@H](C)SC)cc1 ZINC001315538247 1064532334 /nfs/dbraw/zinc/53/23/34/1064532334.db2.gz PYZUARQPXOERPE-HXUWFJFHSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001315540203 1064535743 /nfs/dbraw/zinc/53/57/43/1064535743.db2.gz BKPCLDFOYFLDRE-ZBLYBZFDSA-N 1 0 480.657 4.318 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC001315542979 1064542700 /nfs/dbraw/zinc/54/27/00/1064542700.db2.gz SSXYBOUORWMPEB-UHFFFAOYSA-N 1 0 483.701 4.402 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545277 1064550020 /nfs/dbraw/zinc/55/00/20/1064550020.db2.gz MUAQXNIGXOLOIU-GOTSBHOMSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H]2CCCO2)[NH+]2CCCC2)c1 ZINC001315545760 1064551962 /nfs/dbraw/zinc/55/19/62/1064551962.db2.gz CQKFNSCDLGDJBW-DHIUTWEWSA-N 1 0 455.647 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315546117 1064552286 /nfs/dbraw/zinc/55/22/86/1064552286.db2.gz FTVJOEFJHUHAMO-LSTHTHJFSA-N 1 0 483.579 4.334 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCS[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315545960 1064552361 /nfs/dbraw/zinc/55/23/61/1064552361.db2.gz FKYNKECJEASMIA-YTFSRNRJSA-N 1 0 473.687 4.409 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](SC)C(C)(C)C)CC2)c1 ZINC001315546410 1064554058 /nfs/dbraw/zinc/55/40/58/1064554058.db2.gz UTGHRFABBDZMNL-WMZHIEFXSA-N 1 0 497.713 4.348 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@H]3CCCO[C@H]3C(C)(C)C)CC2)c1 ZINC001315546662 1064554998 /nfs/dbraw/zinc/55/49/98/1064554998.db2.gz WYEMGTMKRZIZLZ-BPUDTRNYSA-N 1 0 455.647 4.320 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315547204 1064556130 /nfs/dbraw/zinc/55/61/30/1064556130.db2.gz NZFRQDFZJORQOH-RTWAWAEBSA-N 1 0 463.573 4.457 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001315547180 1064556190 /nfs/dbraw/zinc/55/61/90/1064556190.db2.gz NMBHQXOEZQCGAB-JOCHJYFZSA-N 1 0 454.619 4.419 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N(Cc2ccco2)C(C)C)[NH+](C)C)c1 ZINC001315547063 1064556215 /nfs/dbraw/zinc/55/62/15/1064556215.db2.gz LQDCBACXZFQOAB-QHCPKHFHSA-N 1 0 461.570 4.055 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001315547693 1064557861 /nfs/dbraw/zinc/55/78/61/1064557861.db2.gz UHFNXBFFRZFASK-HXUWFJFHSA-N 1 0 462.436 4.277 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N(C)C[C@@H]2CCCOC2)[NH+](C)C)c1 ZINC001315548769 1064562006 /nfs/dbraw/zinc/56/20/06/1064562006.db2.gz MTTXFTXDYYBPNI-XUZZJYLKSA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCCC3)nc2)c1 ZINC001315553173 1064570290 /nfs/dbraw/zinc/57/02/90/1064570290.db2.gz YJCVYBQWAKUXBR-UHFFFAOYSA-N 1 0 464.614 4.249 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001315556566 1064575847 /nfs/dbraw/zinc/57/58/47/1064575847.db2.gz BWTZCBNGWCGSPR-RTWAWAEBSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315558026 1064579584 /nfs/dbraw/zinc/57/95/84/1064579584.db2.gz ZBVHVCLGKZWAKJ-FGZHOGPDSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315559812 1064584658 /nfs/dbraw/zinc/58/46/58/1064584658.db2.gz WYTHGTUUMZKROU-UNMCSNQZSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001315562558 1064589484 /nfs/dbraw/zinc/58/94/84/1064589484.db2.gz INBXZVXKNYMYFD-UHFFFAOYSA-N 1 0 474.531 4.336 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315563686 1064592435 /nfs/dbraw/zinc/59/24/35/1064592435.db2.gz OMVOLOLNJLFGFP-HXUWFJFHSA-N 1 0 494.606 4.293 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001315570243 1064611112 /nfs/dbraw/zinc/61/11/12/1064611112.db2.gz IJZNXEYUFPEUJJ-DXKRWKNPSA-N 1 0 498.672 4.349 20 0 JIADRO COc1cccc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)c1 ZINC001315572392 1064619852 /nfs/dbraw/zinc/61/98/52/1064619852.db2.gz TYYRWCFANWGXBG-JOCHJYFZSA-N 1 0 496.681 4.173 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315572946 1064622509 /nfs/dbraw/zinc/62/25/09/1064622509.db2.gz WPYKBRPCIJGVRW-QPPBQGQZSA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315577107 1064635611 /nfs/dbraw/zinc/63/56/11/1064635611.db2.gz YRMUMCHBFXNZIN-HOFKKMOUSA-N 1 0 485.673 4.084 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001315577359 1064636907 /nfs/dbraw/zinc/63/69/07/1064636907.db2.gz KEIDVCRVVQQAIR-UHFFFAOYSA-N 1 0 465.646 4.049 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC001315586638 1064666853 /nfs/dbraw/zinc/66/68/53/1064666853.db2.gz BCUHDWGBFYOHDV-FGZHOGPDSA-N 1 0 454.663 4.105 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315590454 1064678131 /nfs/dbraw/zinc/67/81/31/1064678131.db2.gz ADAMRDUBCHGKAS-NIYFSFCBSA-N 1 0 465.646 4.143 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315591106 1064679658 /nfs/dbraw/zinc/67/96/58/1064679658.db2.gz JFWRCIANUFYGAW-GOSISDBHSA-N 1 0 452.603 4.315 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315592151 1064683364 /nfs/dbraw/zinc/68/33/64/1064683364.db2.gz UROJKFGSXJQXDW-PPHZAIPVSA-N 1 0 479.673 4.451 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315596252 1064696403 /nfs/dbraw/zinc/69/64/03/1064696403.db2.gz IVGAJOTYRNOPKU-UHFFFAOYSA-N 1 0 466.674 4.162 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001315597917 1064701411 /nfs/dbraw/zinc/70/14/11/1064701411.db2.gz ICLFAVRADVBEFM-HBMCJLEFSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(c3ncc(C)s3)CC2)n1CC[N@H+](C)C(C)C ZINC001315598138 1064701993 /nfs/dbraw/zinc/70/19/93/1064701993.db2.gz GRGJZWZLQDRYNG-UHFFFAOYSA-N 1 0 454.644 4.443 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315601080 1064709349 /nfs/dbraw/zinc/70/93/49/1064709349.db2.gz SXNCXRNYWVCUCK-RTWAWAEBSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315603157 1064714442 /nfs/dbraw/zinc/71/44/42/1064714442.db2.gz ATIQAAPBQLELCE-HFZDXXHNSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315605595 1064719922 /nfs/dbraw/zinc/71/99/22/1064719922.db2.gz VOZBSZOAERXRQP-XZOQPEGZSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001315605691 1064719954 /nfs/dbraw/zinc/71/99/54/1064719954.db2.gz VCOIUZIIUOBHHN-UHFFFAOYSA-N 1 0 499.457 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315606011 1064721028 /nfs/dbraw/zinc/72/10/28/1064721028.db2.gz AHWAUKLWBZJYMX-PMACEKPBSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001315606561 1064723478 /nfs/dbraw/zinc/72/34/78/1064723478.db2.gz JGOQLGIFFUKBCY-LJQANCHMSA-N 1 0 486.661 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315608936 1064728027 /nfs/dbraw/zinc/72/80/27/1064728027.db2.gz ZDEBETNSDOQUGV-NQIIRXRSSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315612367 1064733983 /nfs/dbraw/zinc/73/39/83/1064733983.db2.gz HXSDCWCCXBMNSI-PXDATVDWSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315613014 1064736078 /nfs/dbraw/zinc/73/60/78/1064736078.db2.gz MLNLNPLHNFQDGM-URXFXBBRSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315617053 1064745512 /nfs/dbraw/zinc/74/55/12/1064745512.db2.gz QGULBCXOLUDYLU-YADHBBJMSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315617276 1064746755 /nfs/dbraw/zinc/74/67/55/1064746755.db2.gz DDQTYPRDHGUSFL-WOJBJXKFSA-N 1 0 468.671 4.133 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315617275 1064746827 /nfs/dbraw/zinc/74/68/27/1064746827.db2.gz DDQTYPRDHGUSFL-VQTJNVASSA-N 1 0 468.671 4.133 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315617708 1064747845 /nfs/dbraw/zinc/74/78/45/1064747845.db2.gz FYACOHKOXBBHIS-VXKWHMMOSA-N 1 0 455.647 4.005 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCc1c[nH]c2ccccc12 ZINC001316197631 1065894096 /nfs/dbraw/zinc/89/40/96/1065894096.db2.gz FXVNCEWVPDKQMI-HXUWFJFHSA-N 1 0 468.646 4.037 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001316211511 1065916348 /nfs/dbraw/zinc/91/63/48/1065916348.db2.gz CNERAACTXIMPMT-NHCUHLMSSA-N 1 0 496.656 4.047 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001316211766 1065917171 /nfs/dbraw/zinc/91/71/71/1065917171.db2.gz UMOIAPRRZUJYAI-YMPZKCBVSA-N 1 0 477.694 4.051 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001316213475 1065921248 /nfs/dbraw/zinc/92/12/48/1065921248.db2.gz MNUYDDNIUZOEJM-FYQPLNBISA-N 1 0 473.584 4.045 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001316216827 1065928345 /nfs/dbraw/zinc/92/83/45/1065928345.db2.gz GJUGWKAHOKVDJK-WOJBJXKFSA-N 1 0 477.675 4.154 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316218396 1065930537 /nfs/dbraw/zinc/93/05/37/1065930537.db2.gz CHUKVOBOOFIZBN-JWVZEJEHSA-N 1 0 499.700 4.399 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316220761 1065935277 /nfs/dbraw/zinc/93/52/77/1065935277.db2.gz KWJKTQUMBOJPJU-ISKFKSNPSA-N 1 0 485.673 4.235 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316220762 1065935486 /nfs/dbraw/zinc/93/54/86/1065935486.db2.gz KWJKTQUMBOJPJU-LADGPHEKSA-N 1 0 485.673 4.235 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001316231992 1065958852 /nfs/dbraw/zinc/95/88/52/1065958852.db2.gz HHADVTOFPGXYDS-REWPJTCUSA-N 1 0 476.065 4.495 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001316250005 1065992228 /nfs/dbraw/zinc/99/22/28/1065992228.db2.gz RGIZBEWJJUQNNZ-PQNGQFLHSA-N 1 0 487.664 4.006 20 0 JIADRO COCCOC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001316250683 1065993363 /nfs/dbraw/zinc/99/33/63/1065993363.db2.gz UZUSLBCFHBZVCF-QFIPXVFZSA-N 1 0 490.092 4.275 20 0 JIADRO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316251253 1065994375 /nfs/dbraw/zinc/99/43/75/1065994375.db2.gz HBXILRKEGYDWTP-NHCUHLMSSA-N 1 0 476.065 4.208 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC=C(C)C ZINC001316270006 1066013248 /nfs/dbraw/zinc/01/32/48/1066013248.db2.gz HMHXKUUDPCTWME-SDHOMARFSA-N 1 0 467.658 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCCCC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316272014 1066017983 /nfs/dbraw/zinc/01/79/83/1066017983.db2.gz WWRWWFJWFXPHNW-XWGVYQGASA-N 1 0 455.647 4.382 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316272648 1066019478 /nfs/dbraw/zinc/01/94/78/1066019478.db2.gz LVBQOCQGHBAZEK-BIHRQFPBSA-N 1 0 455.647 4.320 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001316274423 1066024412 /nfs/dbraw/zinc/02/44/12/1066024412.db2.gz SXAQIDAPGFZKGY-VCOUNFBDSA-N 1 0 459.610 4.213 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001316289883 1066048890 /nfs/dbraw/zinc/04/88/90/1066048890.db2.gz ZGYKRJQZBIQJJZ-NHTMILBNSA-N 1 0 469.674 4.425 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001316293809 1066055397 /nfs/dbraw/zinc/05/53/97/1066055397.db2.gz WLGKHWBXRKSYSR-PUHATCMVSA-N 1 0 455.647 4.292 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCc1cccc(F)c1 ZINC001316296326 1066057480 /nfs/dbraw/zinc/05/74/80/1066057480.db2.gz DLDFJXIOORAGKI-UPVQGACJSA-N 1 0 487.664 4.332 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316298697 1066059356 /nfs/dbraw/zinc/05/93/56/1066059356.db2.gz ZWJCTBGYSCUEBH-BIHRQFPBSA-N 1 0 499.700 4.383 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316301951 1066062501 /nfs/dbraw/zinc/06/25/01/1066062501.db2.gz RXBLIYYYIYHRJQ-KEZOAJOQSA-N 1 0 487.714 4.191 20 0 JIADRO CON(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316304916 1066065752 /nfs/dbraw/zinc/06/57/52/1066065752.db2.gz QUOOGHKXGQASNF-GOSISDBHSA-N 1 0 463.623 4.307 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316313816 1066070474 /nfs/dbraw/zinc/07/04/74/1066070474.db2.gz IFPCLQVHDBQRCQ-MFSJNOQSSA-N 1 0 494.105 4.351 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001316315565 1066072224 /nfs/dbraw/zinc/07/22/24/1066072224.db2.gz PWOOCQODCWEKQB-APWZRJJASA-N 1 0 494.434 4.436 20 0 JIADRO CO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001316319072 1066074370 /nfs/dbraw/zinc/07/43/70/1066074370.db2.gz PMRFUVCLJLNMLN-UYAOXDASSA-N 1 0 457.669 4.468 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316319582 1066074822 /nfs/dbraw/zinc/07/48/22/1066074822.db2.gz SGGDXXWAJICNLZ-HBMCJLEFSA-N 1 0 490.693 4.086 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316319583 1066074969 /nfs/dbraw/zinc/07/49/69/1066074969.db2.gz SGGDXXWAJICNLZ-NJYVYQBISA-N 1 0 490.693 4.086 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001316321190 1066076784 /nfs/dbraw/zinc/07/67/84/1066076784.db2.gz FKVFLOPWIHJXRY-REWPJTCUSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001316322584 1066078247 /nfs/dbraw/zinc/07/82/47/1066078247.db2.gz VOPPOMGBDLHIOH-AWRGLXIESA-N 1 0 499.700 4.268 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001316322927 1066078532 /nfs/dbraw/zinc/07/85/32/1066078532.db2.gz UQURWOIQERXESG-XLIONFOSSA-N 1 0 462.436 4.055 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316368363 1066113774 /nfs/dbraw/zinc/11/37/74/1066113774.db2.gz TUABOIVGCRCQDJ-UHFFFAOYSA-N 1 0 482.069 4.428 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316376999 1066140242 /nfs/dbraw/zinc/14/02/42/1066140242.db2.gz LMBVKQYKFCSBDC-QFBILLFUSA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316377090 1066141089 /nfs/dbraw/zinc/14/10/89/1066141089.db2.gz MPLUMRKNTYKQDC-INIZCTEOSA-N 1 0 452.466 4.380 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316377450 1066142354 /nfs/dbraw/zinc/14/23/54/1066142354.db2.gz OFXFLMZGKHZOTJ-QFBILLFUSA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001316382685 1066151455 /nfs/dbraw/zinc/15/14/55/1066151455.db2.gz MTACFDBDKRZAOK-LJQANCHMSA-N 1 0 493.668 4.227 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316382553 1066151481 /nfs/dbraw/zinc/15/14/81/1066151481.db2.gz PRTFYQXOZRHAKX-UNMCSNQZSA-N 1 0 450.656 4.358 20 0 JIADRO CS[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316397085 1066174767 /nfs/dbraw/zinc/17/47/67/1066174767.db2.gz XPHCGTNDDMEERS-SFTDATJTSA-N 1 0 473.687 4.489 20 0 JIADRO CS[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC001316399955 1066177406 /nfs/dbraw/zinc/17/74/06/1066177406.db2.gz MFXXEAOJQNSZCE-ICSRJNTNSA-N 1 0 490.743 4.112 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC001316403512 1066184445 /nfs/dbraw/zinc/18/44/45/1066184445.db2.gz ZMVMAKZSWCRZMW-FQEVSTJZSA-N 1 0 482.069 4.426 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316407708 1066191665 /nfs/dbraw/zinc/19/16/65/1066191665.db2.gz QSAMFZOAEQSAFV-UNMCSNQZSA-N 1 0 457.688 4.270 20 0 JIADRO CSC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)[C@H]2CCOC2)CC[NH+](C)CC1 ZINC001316410155 1066197797 /nfs/dbraw/zinc/19/77/97/1066197797.db2.gz PQXVMPXAPIXPBM-NRFANRHFSA-N 1 0 487.714 4.341 20 0 JIADRO CSC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)[C@@H]2CCOC2)CC[NH+](C)CC1 ZINC001316410157 1066197914 /nfs/dbraw/zinc/19/79/14/1066197914.db2.gz PQXVMPXAPIXPBM-OAQYLSRUSA-N 1 0 487.714 4.341 20 0 JIADRO CSC1(Cn2c(CC3CCCC3)nnc2N(C)CCN(C)c2ccccc2)CC[NH+](C)CC1 ZINC001316410655 1066199332 /nfs/dbraw/zinc/19/93/32/1066199332.db2.gz AMVZZOQAGHCHGG-UHFFFAOYSA-N 1 0 470.731 4.411 20 0 JIADRO CSC1(Cn2c(N3CCN(C(=O)CC4CCCCC4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316411613 1066201297 /nfs/dbraw/zinc/20/12/97/1066201297.db2.gz QKHUQWRVHRFLPW-UHFFFAOYSA-N 1 0 490.762 4.022 20 0 JIADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H]2CCCCO2)CC[NH+](C)CC1 ZINC001316412693 1066203541 /nfs/dbraw/zinc/20/35/41/1066203541.db2.gz RZVDFHCDZUOXFS-NJDAHSKKSA-N 1 0 479.735 4.029 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001316419087 1066220726 /nfs/dbraw/zinc/22/07/26/1066220726.db2.gz CCJPCJNDNOFGEE-DEOSSOPVSA-N 1 0 468.696 4.444 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492498586 1066222716 /nfs/dbraw/zinc/22/27/16/1066222716.db2.gz LEICSZWVTUSPFU-SFHVURJKSA-N 1 0 453.641 4.414 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001316420011 1066223955 /nfs/dbraw/zinc/22/39/55/1066223955.db2.gz OKVYKHUFVICTIA-LJQANCHMSA-N 1 0 451.644 4.358 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001316423225 1066234180 /nfs/dbraw/zinc/23/41/80/1066234180.db2.gz MMABBPSKTDIPOB-YJBOKZPZSA-N 1 0 452.466 4.380 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001316423222 1066234252 /nfs/dbraw/zinc/23/42/52/1066234252.db2.gz MMABBPSKTDIPOB-CRAIPNDOSA-N 1 0 452.466 4.380 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001316424503 1066239567 /nfs/dbraw/zinc/23/95/67/1066239567.db2.gz UWGUWVIKSLKMNM-OAQYLSRUSA-N 1 0 477.122 4.346 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3[nH]c4ccc(C)cc4c3Cl)CC2)cc1 ZINC001325260684 1066242556 /nfs/dbraw/zinc/24/25/56/1066242556.db2.gz FPVPPQRINPJGPD-UHFFFAOYSA-N 1 0 469.969 4.030 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001316427192 1066249773 /nfs/dbraw/zinc/24/97/73/1066249773.db2.gz MAVUQHUNRGVHPM-NQIIRXRSSA-N 1 0 474.078 4.357 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001316429288 1066259605 /nfs/dbraw/zinc/25/96/05/1066259605.db2.gz CWHHKSINLHIUJQ-HSZRJFAPSA-N 1 0 484.714 4.011 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316429327 1066259805 /nfs/dbraw/zinc/25/98/05/1066259805.db2.gz DFMZAEZIYMZHLJ-UYAOXDASSA-N 1 0 490.743 4.112 20 0 JIADRO NS(=O)(=O)c1ccc(CNC(=S)C(C(=O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)cc1 ZINC001325684437 1066261536 /nfs/dbraw/zinc/26/15/36/1066261536.db2.gz MOXBCITYTNOEKI-UHFFFAOYSA-O 1 0 497.043 4.061 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[NH+]1CCCCC1 ZINC001325687911 1066264412 /nfs/dbraw/zinc/26/44/12/1066264412.db2.gz YSVNXXNLPKDNGD-QFIPXVFZSA-N 1 0 488.613 4.389 20 0 JIADRO O=C(CC[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)Nc1ccc(Br)cc1F ZINC001325705068 1066265118 /nfs/dbraw/zinc/26/51/18/1066265118.db2.gz LWHLKZRLZGGKKB-NRFANRHFSA-N 1 0 460.347 4.365 20 0 JIADRO CSCc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001316432437 1066274898 /nfs/dbraw/zinc/27/48/98/1066274898.db2.gz LGLREHZPHIYPQB-XMMPIXPASA-N 1 0 498.741 4.420 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3Cl)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001492500026 1066278874 /nfs/dbraw/zinc/27/88/74/1066278874.db2.gz MSSBQHGVCRGOID-HSZRJFAPSA-N 1 0 457.047 4.376 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001316433805 1066279252 /nfs/dbraw/zinc/27/92/52/1066279252.db2.gz SDFHTNUQVOMFQJ-NRFANRHFSA-N 1 0 491.105 4.069 20 0 JIADRO O=C(COC(=O)c1csc(-c2ccco2)n1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326025285 1066281610 /nfs/dbraw/zinc/28/16/10/1066281610.db2.gz OHSYDJSICDWAKS-SFHVURJKSA-N 1 0 459.955 4.167 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316435755 1066287417 /nfs/dbraw/zinc/28/74/17/1066287417.db2.gz YZIRZADOUVUSNI-MJGOQNOKSA-N 1 0 495.535 4.498 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[NH+](C)C ZINC001316436537 1066289254 /nfs/dbraw/zinc/28/92/54/1066289254.db2.gz LOWOFEFHDNSAJV-UKRRQHHQSA-N 1 0 456.429 4.129 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001316438525 1066293220 /nfs/dbraw/zinc/29/32/20/1066293220.db2.gz TXNTZVZAIXXDBK-NJYVYQBISA-N 1 0 457.688 4.473 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCSCC1 ZINC001316439763 1066296139 /nfs/dbraw/zinc/29/61/39/1066296139.db2.gz ZZBZTOLVTQHGAM-MRXNPFEDSA-N 1 0 456.056 4.118 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492501948 1066299736 /nfs/dbraw/zinc/29/97/36/1066299736.db2.gz DKMXTDYDIYVSGA-HSZRJFAPSA-N 1 0 483.060 4.338 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2)CC1 ZINC001326731102 1066303291 /nfs/dbraw/zinc/30/32/91/1066303291.db2.gz CXTRUJNLYMMFAA-UHFFFAOYSA-N 1 0 453.587 4.103 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316442428 1066304836 /nfs/dbraw/zinc/30/48/36/1066304836.db2.gz LNQSVDKEYLMXHW-OAQYLSRUSA-N 1 0 484.714 4.126 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001316444569 1066311557 /nfs/dbraw/zinc/31/15/57/1066311557.db2.gz LXOBPKZJPQVCHA-CVEARBPZSA-N 1 0 469.497 4.345 20 0 JIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC001327213159 1066313351 /nfs/dbraw/zinc/31/33/51/1066313351.db2.gz PHVJXSXTIGMNMH-NDEPHWFRSA-N 1 0 483.547 4.331 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316445129 1066313783 /nfs/dbraw/zinc/31/37/83/1066313783.db2.gz GERFCHGJWFRWPK-GOSISDBHSA-N 1 0 479.094 4.216 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CC=CCC1 ZINC001316445429 1066315087 /nfs/dbraw/zinc/31/50/87/1066315087.db2.gz PWBFMHLCJWNVNL-IBGZPJMESA-N 1 0 451.644 4.175 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316446520 1066317878 /nfs/dbraw/zinc/31/78/78/1066317878.db2.gz LKNVVJFQINNLEN-ROUUACIJSA-N 1 0 452.068 4.145 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316447771 1066322293 /nfs/dbraw/zinc/32/22/93/1066322293.db2.gz REOKBTHFWAVTDS-VQTJNVASSA-N 1 0 473.687 4.415 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492506644 1066326986 /nfs/dbraw/zinc/32/69/86/1066326986.db2.gz QNHDWYPCZKMFLQ-SFHVURJKSA-N 1 0 492.571 4.361 20 0 JIADRO CCc1ccc(-c2nc(C(=O)OCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cs2)cc1 ZINC001328635350 1066328118 /nfs/dbraw/zinc/32/81/18/1066328118.db2.gz RISZLFWQGVUTKU-UHFFFAOYSA-N 1 0 463.603 4.442 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492508689 1066334898 /nfs/dbraw/zinc/33/48/98/1066334898.db2.gz XKUGAIJNGVQYTO-SFTDATJTSA-N 1 0 454.663 4.409 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492508757 1066335280 /nfs/dbraw/zinc/33/52/80/1066335280.db2.gz ZHIQIROULQIKCB-HDICACEKSA-N 1 0 480.579 4.315 20 0 JIADRO CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316453657 1066339002 /nfs/dbraw/zinc/33/90/02/1066339002.db2.gz BUBVOTUCSDGGFF-JOCHJYFZSA-N 1 0 476.735 4.140 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492511172 1066344547 /nfs/dbraw/zinc/34/45/47/1066344547.db2.gz PODWPBNYANYAFF-NRFANRHFSA-N 1 0 454.663 4.412 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492511621 1066346747 /nfs/dbraw/zinc/34/67/47/1066346747.db2.gz DQFPQJRHMFLTLQ-OAQYLSRUSA-N 1 0 497.688 4.264 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316460205 1066354223 /nfs/dbraw/zinc/35/42/23/1066354223.db2.gz VANGTJRPTZJOTG-OAQYLSRUSA-N 1 0 485.702 4.161 20 0 JIADRO CSCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001316461515 1066356940 /nfs/dbraw/zinc/35/69/40/1066356940.db2.gz HWCDNIDHIUNYJP-GOSISDBHSA-N 1 0 495.640 4.379 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001316465445 1066365612 /nfs/dbraw/zinc/36/56/12/1066365612.db2.gz MVOQKIJTZDWXDA-SFHVURJKSA-N 1 0 481.508 4.252 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316465876 1066367751 /nfs/dbraw/zinc/36/77/51/1066367751.db2.gz QMVVNUZIIXSWSS-IBGZPJMESA-N 1 0 483.524 4.356 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)C[NH+](C)C ZINC001316467511 1066371848 /nfs/dbraw/zinc/37/18/48/1066371848.db2.gz BEIFDUBUKPLASP-UHFFFAOYSA-N 1 0 454.482 4.485 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001316470890 1066377632 /nfs/dbraw/zinc/37/76/32/1066377632.db2.gz PENNRHIMOZOAMN-RTBURBONSA-N 1 0 480.723 4.065 20 0 JIADRO CSCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316471418 1066378206 /nfs/dbraw/zinc/37/82/06/1066378206.db2.gz AKMIUOUZLJALII-UHFFFAOYSA-N 1 0 452.466 4.381 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001333167465 1066384516 /nfs/dbraw/zinc/38/45/16/1066384516.db2.gz MZZCSDQOGJJGJB-IFMALSPDSA-N 1 0 481.000 4.173 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492520257 1066385079 /nfs/dbraw/zinc/38/50/79/1066385079.db2.gz ISAMPSFTVYFSQT-XMMPIXPASA-N 1 0 484.689 4.037 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001492522207 1066389924 /nfs/dbraw/zinc/38/99/24/1066389924.db2.gz JDGFZYYYGDHKEM-JTHBVZDNSA-N 1 0 491.640 4.055 20 0 JIADRO Cc1cccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCOCC[NH+](C)C)c1 ZINC001492523314 1066394158 /nfs/dbraw/zinc/39/41/58/1066394158.db2.gz NSWCTZRUAMCFTQ-NRFANRHFSA-N 1 0 487.446 4.264 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001492524263 1066397441 /nfs/dbraw/zinc/39/74/41/1066397441.db2.gz JCDYJJWFMMOSCX-UHFFFAOYSA-N 1 0 467.702 4.481 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCC1 ZINC001316482587 1066399357 /nfs/dbraw/zinc/39/93/57/1066399357.db2.gz PVVLYOSBGFETNG-IBGZPJMESA-N 1 0 453.635 4.205 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316487691 1066412033 /nfs/dbraw/zinc/41/20/33/1066412033.db2.gz PSNWYLAYCRMSRD-CTNGQTDRSA-N 1 0 470.662 4.324 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)s2)n1CC(F)(F)F ZINC001316492994 1066434031 /nfs/dbraw/zinc/43/40/31/1066434031.db2.gz YBRGHEJVTFSNIX-GFCCVEGCSA-N 1 0 494.381 4.021 20 0 JIADRO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316493573 1066436046 /nfs/dbraw/zinc/43/60/46/1066436046.db2.gz YPVMNVNNHOBKBK-NRFANRHFSA-N 1 0 468.646 4.267 20 0 JIADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001316498549 1066454306 /nfs/dbraw/zinc/45/43/06/1066454306.db2.gz VFFGDFMMEOJAAQ-MQSCRBSSSA-N 1 0 498.672 4.144 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2ccccc2F)n1CCCC(F)(F)F ZINC001316503719 1066471575 /nfs/dbraw/zinc/47/15/75/1066471575.db2.gz DFSWRIZUFJXQMZ-KRWDZBQOSA-N 1 0 469.527 4.040 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001316505729 1066480287 /nfs/dbraw/zinc/48/02/87/1066480287.db2.gz WOMRIVYTLHKTQQ-URXFXBBRSA-N 1 0 483.701 4.483 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316505938 1066481033 /nfs/dbraw/zinc/48/10/33/1066481033.db2.gz ZYMPDKQRWHLKIV-YJBOKZPZSA-N 1 0 479.467 4.160 20 0 JIADRO COc1ccc(/C=C2/C(=O)N(c3cccc(OC)c3)C(=S)N2CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001337562958 1066493257 /nfs/dbraw/zinc/49/32/57/1066493257.db2.gz HABOQVILBBFRIA-ULJHMMPZSA-N 1 0 494.661 4.052 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001337600219 1066497777 /nfs/dbraw/zinc/49/77/77/1066497777.db2.gz SBPRAZSVSIAMSC-UHFFFAOYSA-N 1 0 495.023 4.022 20 0 JIADRO FC(F)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)C1 ZINC001316515477 1066510279 /nfs/dbraw/zinc/51/02/79/1066510279.db2.gz ASMMVHWVALUUFN-QGZVFWFLSA-N 1 0 498.416 4.302 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2I)CC1 ZINC001337841926 1066514933 /nfs/dbraw/zinc/51/49/33/1066514933.db2.gz BIDZFPOMSPRJDO-UHFFFAOYSA-N 1 0 491.373 4.100 20 0 JIADRO FC1(F)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC1 ZINC001316521026 1066527092 /nfs/dbraw/zinc/52/70/92/1066527092.db2.gz REDOMBICCQWYLF-UHFFFAOYSA-N 1 0 460.356 4.495 20 0 JIADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001338103345 1066531076 /nfs/dbraw/zinc/53/10/76/1066531076.db2.gz JGNDQZCXHFTEHR-LAUBAEHRSA-N 1 0 468.399 4.327 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@H]3C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)CC1 ZINC001338461360 1066557477 /nfs/dbraw/zinc/55/74/77/1066557477.db2.gz SSDKBQORTCRMSG-BWTSREIZSA-N 1 0 480.497 4.143 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC001338514947 1066560893 /nfs/dbraw/zinc/56/08/93/1066560893.db2.gz UWYITISGBPDFJM-QHCPKHFHSA-N 1 0 496.615 4.046 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)c2)n1 ZINC001338528545 1066561979 /nfs/dbraw/zinc/56/19/79/1066561979.db2.gz MOVQPYXZQFZNIY-HXUWFJFHSA-N 1 0 453.587 4.169 20 0 JIADRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC001338635394 1066566385 /nfs/dbraw/zinc/56/63/85/1066566385.db2.gz HNAPIDGNJDLRFM-NRFANRHFSA-N 1 0 452.352 4.169 20 0 JIADRO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC([NH+](CC)CC)CC3)ccc2C)cc1 ZINC001338729474 1066569469 /nfs/dbraw/zinc/56/94/69/1066569469.db2.gz ONUODPNCKORXSJ-UHFFFAOYSA-N 1 0 473.639 4.141 20 0 JIADRO CCOc1c(Br)cc(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1Br ZINC001338757028 1066571292 /nfs/dbraw/zinc/57/12/92/1066571292.db2.gz YBXJXDYRKRFDFD-CYBMUJFWSA-N 1 0 462.226 4.349 20 0 JIADRO O=C(Nc1ccccn1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316560567 1066578525 /nfs/dbraw/zinc/57/85/25/1066578525.db2.gz VXBRZFMLFQZABM-IBGZPJMESA-N 1 0 493.578 4.360 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)CC2)c1 ZINC001492534605 1066581374 /nfs/dbraw/zinc/58/13/74/1066581374.db2.gz IFIAMEBXWXGCBI-NRFANRHFSA-N 1 0 493.656 4.065 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001492535854 1066585889 /nfs/dbraw/zinc/58/58/89/1066585889.db2.gz AQLFWTQGWQCNCL-UHFFFAOYSA-N 1 0 490.656 4.045 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492538690 1066613941 /nfs/dbraw/zinc/61/39/41/1066613941.db2.gz OEQGMMXJJFXGNC-JOCHJYFZSA-N 1 0 477.600 4.004 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316588302 1066614426 /nfs/dbraw/zinc/61/44/26/1066614426.db2.gz HPXJISRKKGJVIZ-IBGZPJMESA-N 1 0 469.939 4.144 20 0 JIADRO OCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316588534 1066615996 /nfs/dbraw/zinc/61/59/96/1066615996.db2.gz RKDXNZXMMRPTRG-KRWDZBQOSA-N 1 0 482.854 4.198 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492541232 1066644375 /nfs/dbraw/zinc/64/43/75/1066644375.db2.gz DVUPMQKWMHWOAR-FPOVZHCZSA-N 1 0 453.587 4.065 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542053 1066651629 /nfs/dbraw/zinc/65/16/29/1066651629.db2.gz KSEMWCOBOGJMDA-FGZHOGPDSA-N 1 0 498.672 4.095 20 0 JIADRO CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCC[N@H+](Cc4ccc(C)cc4)CC3)c2c1C ZINC001317740699 1066659051 /nfs/dbraw/zinc/65/90/51/1066659051.db2.gz FYCSUHFIPRZNRD-UHFFFAOYSA-N 1 0 481.666 4.259 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001492543228 1066664781 /nfs/dbraw/zinc/66/47/81/1066664781.db2.gz DZAGKDJIECQEFT-FCHUYYIVSA-N 1 0 455.647 4.338 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492544146 1066679829 /nfs/dbraw/zinc/67/98/29/1066679829.db2.gz HUQWOLWDMHEYCC-VWLOTQADSA-N 1 0 499.700 4.306 20 0 JIADRO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)c1C ZINC001317803510 1066698732 /nfs/dbraw/zinc/69/87/32/1066698732.db2.gz LJBKJTBHVPZPFM-UHFFFAOYSA-N 1 0 460.578 4.443 20 0 JIADRO COc1cccc([C@@H](CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)[NH+](C)C)c1 ZINC001317820914 1066708717 /nfs/dbraw/zinc/70/87/17/1066708717.db2.gz QCGNKWLASRXYLS-XMMPIXPASA-N 1 0 455.562 4.339 20 0 JIADRO CCOc1cc(CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)ccc1OC(F)F ZINC001317833484 1066718560 /nfs/dbraw/zinc/71/85/60/1066718560.db2.gz LULAPNVJABTFJT-UHFFFAOYSA-N 1 0 462.541 4.411 20 0 JIADRO Cn1nc(C(C)(C)C)cc1NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001317834039 1066719017 /nfs/dbraw/zinc/71/90/17/1066719017.db2.gz PYALQVOGANMGAW-UHFFFAOYSA-N 1 0 460.626 4.362 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)CC2)cc1 ZINC001317834669 1066720353 /nfs/dbraw/zinc/72/03/53/1066720353.db2.gz LNGIOBBEOIDFAK-ZRZAMGCNSA-N 1 0 483.678 4.010 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CSc3ccc(Br)cc3)cc2)C[C@@H](C)O1 ZINC001317835389 1066720874 /nfs/dbraw/zinc/72/08/74/1066720874.db2.gz LZXSFXDIKCRXAM-IAGOWNOFSA-N 1 0 463.441 4.467 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492545234 1066732474 /nfs/dbraw/zinc/73/24/74/1066732474.db2.gz IVXDQWNRFLJMAD-XUZZJYLKSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC001348283092 1066733508 /nfs/dbraw/zinc/73/35/08/1066733508.db2.gz KZVHQRXCMVWPJZ-RUZDIDTESA-N 1 0 451.611 4.267 20 0 JIADRO O=C(c1nn(-c2ccccc2F)cc1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001317858265 1066736798 /nfs/dbraw/zinc/73/67/98/1066736798.db2.gz MJAHADGQYDITJT-UHFFFAOYSA-N 1 0 457.347 4.122 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC001348427351 1066743140 /nfs/dbraw/zinc/74/31/40/1066743140.db2.gz FWCKBJRMOSMYGX-RUZDIDTESA-N 1 0 455.558 4.296 20 0 JIADRO CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC001317872342 1066746352 /nfs/dbraw/zinc/74/63/52/1066746352.db2.gz UEYFSQHYHAUBPA-DEOSSOPVSA-N 1 0 493.652 4.021 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492545701 1066756322 /nfs/dbraw/zinc/75/63/22/1066756322.db2.gz NYNKZBVPUCSLRG-XMMPIXPASA-N 1 0 499.700 4.185 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001492545730 1066756948 /nfs/dbraw/zinc/75/69/48/1066756948.db2.gz OUTFBSJFKUZFFW-DHIUTWEWSA-N 1 0 455.647 4.290 20 0 JIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317889514 1066758822 /nfs/dbraw/zinc/75/88/22/1066758822.db2.gz OVXBGABNNVSHLF-OALUTQOASA-N 1 0 490.570 4.413 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001317889906 1066759442 /nfs/dbraw/zinc/75/94/42/1066759442.db2.gz VKMBCYQMDLGMPR-RTBURBONSA-N 1 0 490.570 4.413 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC001317907678 1066778002 /nfs/dbraw/zinc/77/80/02/1066778002.db2.gz GJVHAQOMFZZJDR-UHFFFAOYSA-N 1 0 452.599 4.110 20 0 JIADRO Cc1nc(CSCC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC001317908129 1066778072 /nfs/dbraw/zinc/77/80/72/1066778072.db2.gz PVBVBBLHIRNLGD-UHFFFAOYSA-N 1 0 466.676 4.323 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001317937971 1066796746 /nfs/dbraw/zinc/79/67/46/1066796746.db2.gz JKXKNUUUHPCQDC-LJQANCHMSA-N 1 0 458.562 4.201 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001317938897 1066797591 /nfs/dbraw/zinc/79/75/91/1066797591.db2.gz UJPYPOHKMLGMCY-IBGZPJMESA-N 1 0 458.562 4.344 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC001349382198 1066836429 /nfs/dbraw/zinc/83/64/29/1066836429.db2.gz WOEPXWQXGXXWKO-KEBYFXCJSA-N 1 0 477.630 4.387 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c2cccs2)CC1 ZINC001317993085 1066838211 /nfs/dbraw/zinc/83/82/11/1066838211.db2.gz MXBLITWBBCNVTR-OAQYLSRUSA-N 1 0 464.591 4.304 20 0 JIADRO Cc1cc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318013588 1066851686 /nfs/dbraw/zinc/85/16/86/1066851686.db2.gz JRCGUYKKPSTMSR-UHFFFAOYSA-N 1 0 490.677 4.220 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC(F)(F)F)c1 ZINC001492546951 1066856124 /nfs/dbraw/zinc/85/61/24/1066856124.db2.gz IYWPLIVKPWXJGU-UHFFFAOYSA-N 1 0 455.525 4.013 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2cccc(OC)c2)CC1)c1cccc(OC)c1 ZINC001318027141 1066859079 /nfs/dbraw/zinc/85/90/79/1066859079.db2.gz HNVHVBGACPLBDN-VWLOTQADSA-N 1 0 454.615 4.055 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001318031511 1066860769 /nfs/dbraw/zinc/86/07/69/1066860769.db2.gz HMXQQYHGXXUUSO-UHFFFAOYSA-N 1 0 472.033 4.281 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC001318059304 1066876477 /nfs/dbraw/zinc/87/64/77/1066876477.db2.gz UGNAMLMGKKIYRM-GOSISDBHSA-N 1 0 464.031 4.017 20 0 JIADRO O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318061820 1066878832 /nfs/dbraw/zinc/87/88/32/1066878832.db2.gz RBXIUHUIXVJOJQ-HSZRJFAPSA-N 1 0 451.574 4.457 20 0 JIADRO Cc1ccc([C@H](CNC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)[NH+]2CCCC2)cc1 ZINC001318062170 1066879432 /nfs/dbraw/zinc/87/94/32/1066879432.db2.gz OBLSCWIYQUAVGU-IPJJNNNSSA-N 1 0 457.644 4.019 20 0 JIADRO O=C(CCOc1cc(Cl)ccc1Cl)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318082534 1066890307 /nfs/dbraw/zinc/89/03/07/1066890307.db2.gz OJPFPMYNACVLAS-LJQANCHMSA-N 1 0 477.436 4.218 20 0 JIADRO O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318083008 1066890740 /nfs/dbraw/zinc/89/07/40/1066890740.db2.gz WCLLIRNJONSVEW-SFHVURJKSA-N 1 0 487.526 4.136 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001349910000 1066895039 /nfs/dbraw/zinc/89/50/39/1066895039.db2.gz HGABVHXXSUJUMN-MOPGFXCFSA-N 1 0 457.619 4.400 20 0 JIADRO S=c1n(CN2CCC[N@@H+]3CCC[C@H]3C2)nc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC001318095320 1066896991 /nfs/dbraw/zinc/89/69/91/1066896991.db2.gz QNISDKFJIWHISX-FQEVSTJZSA-N 1 0 485.455 4.355 20 0 JIADRO COc1ccc(C)cc1N1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1=O ZINC001350062632 1066910979 /nfs/dbraw/zinc/91/09/79/1066910979.db2.gz QWHGIIIRXMCYBF-CTNGQTDRSA-N 1 0 455.624 4.007 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)ccc1N1CC[NH+](C)CC1 ZINC001318134486 1066916870 /nfs/dbraw/zinc/91/68/70/1066916870.db2.gz BCLYQFJFHLLYFA-UHFFFAOYSA-N 1 0 481.641 4.136 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)ccc1Cl ZINC001350103559 1066918637 /nfs/dbraw/zinc/91/86/37/1066918637.db2.gz YESFBQQWTJIIOG-HXUWFJFHSA-N 1 0 450.004 4.367 20 0 JIADRO Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)ccc1N1CC[NH+](C)CC1 ZINC001318144612 1066923268 /nfs/dbraw/zinc/92/32/68/1066923268.db2.gz XSNPMLKJAVYCCT-UHFFFAOYSA-N 1 0 496.608 4.247 20 0 JIADRO C[C@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318148656 1066925506 /nfs/dbraw/zinc/92/55/06/1066925506.db2.gz PLDWIOWIKKXRHO-IBGZPJMESA-N 1 0 499.631 4.163 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318177781 1066941509 /nfs/dbraw/zinc/94/15/09/1066941509.db2.gz RCPGXUDCKUGRCT-SIBVEZHUSA-N 1 0 493.627 4.186 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 ZINC001350368294 1066948836 /nfs/dbraw/zinc/94/88/36/1066948836.db2.gz GRWIHKSPLUMTBG-HYBUGGRVSA-N 1 0 457.640 4.063 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1 ZINC001350370985 1066949915 /nfs/dbraw/zinc/94/99/15/1066949915.db2.gz ZVVMVQPAQIVCML-QHCPKHFHSA-N 1 0 455.002 4.101 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001318202348 1066955685 /nfs/dbraw/zinc/95/56/85/1066955685.db2.gz HXYRJZHUSOGCBR-HXUWFJFHSA-N 1 0 483.632 4.005 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C(=O)N4CCSCC4)ccc3C)CC2)cc1 ZINC001318203226 1066956193 /nfs/dbraw/zinc/95/61/93/1066956193.db2.gz ZPEXYEOOJYMHQQ-UHFFFAOYSA-N 1 0 466.651 4.232 20 0 JIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318204105 1066957072 /nfs/dbraw/zinc/95/70/72/1066957072.db2.gz YJVPJQQSZGEYRQ-OFNKIYASSA-N 1 0 455.002 4.081 20 0 JIADRO CCOc1ccc(Oc2cc(CNC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)ccn2)cc1 ZINC001318251446 1066984485 /nfs/dbraw/zinc/98/44/85/1066984485.db2.gz WCPADIJCTAQHIO-UHFFFAOYSA-N 1 0 489.620 4.019 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001492548127 1066985389 /nfs/dbraw/zinc/98/53/89/1066985389.db2.gz SMLICVGRAQILSP-UPVQGACJSA-N 1 0 455.647 4.291 20 0 JIADRO O=C(NC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305106 1067009042 /nfs/dbraw/zinc/00/90/42/1067009042.db2.gz BFJPSSAJAFKDHF-WMZHIEFXSA-N 1 0 477.432 4.451 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001350857778 1067010418 /nfs/dbraw/zinc/01/04/18/1067010418.db2.gz DEMYYQUQZOXVEX-HNNXBMFYSA-N 1 0 455.360 4.052 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300682923 1067018459 /nfs/dbraw/zinc/01/84/59/1067018459.db2.gz FOBZNCOZSPEFGI-NRFANRHFSA-N 1 0 473.687 4.315 20 0 JIADRO C[C@@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001318325880 1067018589 /nfs/dbraw/zinc/01/85/89/1067018589.db2.gz JMBRGWMGAVLDHP-OAQYLSRUSA-N 1 0 471.605 4.251 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC=C(C)C ZINC001300684365 1067023863 /nfs/dbraw/zinc/02/38/63/1067023863.db2.gz UHVAUTDTFQWKEV-NRFANRHFSA-N 1 0 471.671 4.094 20 0 JIADRO COc1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc(Br)c1OC(F)F ZINC001318340333 1067023909 /nfs/dbraw/zinc/02/39/09/1067023909.db2.gz MHLLGPCHLTURMU-INIZCTEOSA-N 1 0 469.326 4.454 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001350953927 1067024427 /nfs/dbraw/zinc/02/44/27/1067024427.db2.gz QCQYXMPHFWOSPS-YKSBVNFPSA-N 1 0 457.977 4.301 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300685745 1067026630 /nfs/dbraw/zinc/02/66/30/1067026630.db2.gz BCTFBWGXADUISY-RCCFBDPRSA-N 1 0 461.701 4.392 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001300685797 1067026669 /nfs/dbraw/zinc/02/66/69/1067026669.db2.gz BZQBBNXVJXOSSX-RTBURBONSA-N 1 0 461.701 4.395 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355321 1067030023 /nfs/dbraw/zinc/03/00/23/1067030023.db2.gz UYHWAULQIVDIID-AUSIDOKSSA-N 1 0 464.610 4.348 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300688046 1067031691 /nfs/dbraw/zinc/03/16/91/1067031691.db2.gz SXGZSKTWJLHJBN-IXFSTUDKSA-N 1 0 493.768 4.347 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300689054 1067034454 /nfs/dbraw/zinc/03/44/54/1067034454.db2.gz XPOUMMXIPMJVRM-SQNIBIBYSA-N 1 0 459.591 4.269 20 0 JIADRO CCOC(=O)C1CCC(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)CC1 ZINC001354673345 1067036045 /nfs/dbraw/zinc/03/60/45/1067036045.db2.gz PHDRPYLVNBRHBN-UHFFFAOYSA-N 1 0 455.521 4.155 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)o3)c(C(F)(F)F)c2)CC1 ZINC001354674076 1067036367 /nfs/dbraw/zinc/03/63/67/1067036367.db2.gz VKQRHXKBSXRWCW-UHFFFAOYSA-N 1 0 451.367 4.244 20 0 JIADRO COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[NH+]2CCCCC2)cc1 ZINC001351042727 1067037151 /nfs/dbraw/zinc/03/71/51/1067037151.db2.gz PUAISZDGGIXWEI-CVDCTZTESA-N 1 0 455.986 4.045 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)[NH+]2CCCCC2)cc1 ZINC001354678248 1067037558 /nfs/dbraw/zinc/03/75/58/1067037558.db2.gz OBYCBGVTJKHYGI-SFHVURJKSA-N 1 0 450.505 4.204 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492548634 1067040351 /nfs/dbraw/zinc/04/03/51/1067040351.db2.gz HCTBHFDIEVSSFM-BJKOFHAPSA-N 1 0 487.714 4.100 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492548643 1067041206 /nfs/dbraw/zinc/04/12/06/1067041206.db2.gz HETOYNHMGJDKHZ-RBBKRZOGSA-N 1 0 484.670 4.176 20 0 JIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001351103208 1067046113 /nfs/dbraw/zinc/04/61/13/1067046113.db2.gz LDVRXLGMRMAYLM-HNNXBMFYSA-N 1 0 451.537 4.335 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001318478275 1067047568 /nfs/dbraw/zinc/04/75/68/1067047568.db2.gz FDFTYRRTIBCPTB-UHFFFAOYSA-N 1 0 493.629 4.364 20 0 JIADRO COc1ccncc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001300696701 1067054372 /nfs/dbraw/zinc/05/43/72/1067054372.db2.gz GVWBDTHYLAUSNA-IPMKNSEASA-N 1 0 470.618 4.079 20 0 JIADRO COc1ccncc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001300696699 1067054593 /nfs/dbraw/zinc/05/45/93/1067054593.db2.gz GVWBDTHYLAUSNA-GBESFXJTSA-N 1 0 470.618 4.079 20 0 JIADRO CCc1ccc([C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(F)c2)cc1 ZINC001319026315 1067064768 /nfs/dbraw/zinc/06/47/68/1067064768.db2.gz VFMUZVKLHSYMOG-AREMUKBSSA-N 1 0 461.585 4.124 20 0 JIADRO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCCC2)cc1 ZINC001354728641 1067065172 /nfs/dbraw/zinc/06/51/72/1067065172.db2.gz CBERFTSRAWAGNH-ZJSXRUAMSA-N 1 0 454.636 4.108 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC001319053729 1067065900 /nfs/dbraw/zinc/06/59/00/1067065900.db2.gz OZTYZHPPAQGDEO-RTBURBONSA-N 1 0 474.646 4.445 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731397 1067066617 /nfs/dbraw/zinc/06/66/17/1067066617.db2.gz QXGRATMLBXAEAV-UTKZUKDTSA-N 1 0 453.384 4.275 20 0 JIADRO CCOc1ccccc1C(=O)NCCCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001351278837 1067070066 /nfs/dbraw/zinc/07/00/66/1067070066.db2.gz NJLZFITYBAHVCG-UHFFFAOYSA-N 1 0 459.590 4.093 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001545692151 1067075093 /nfs/dbraw/zinc/07/50/93/1067075093.db2.gz PDIZLDHCBIZMAN-RJGXRXQPSA-N 1 0 466.674 4.341 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001354752535 1067076798 /nfs/dbraw/zinc/07/67/98/1067076798.db2.gz VITCBSLVFXBRLT-NRFANRHFSA-N 1 0 456.384 4.175 20 0 JIADRO Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n1-c1ccccc1 ZINC001320810999 1067094347 /nfs/dbraw/zinc/09/43/47/1067094347.db2.gz NPXLYWRAWLRSCG-QHCPKHFHSA-N 1 0 491.661 4.252 20 0 JIADRO COc1cc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)ccc1OCC(F)(F)F ZINC001321110650 1067098518 /nfs/dbraw/zinc/09/85/18/1067098518.db2.gz LHGHFAGUKZCWQT-UHFFFAOYSA-N 1 0 465.516 4.268 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[NH+](C2CCC2)CC1 ZINC001200796747 1067157010 /nfs/dbraw/zinc/15/70/10/1067157010.db2.gz NJGUAHXBGWDAIQ-UHFFFAOYSA-N 1 0 451.203 4.218 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC001321562239 1067166507 /nfs/dbraw/zinc/16/65/07/1067166507.db2.gz AIQSGSNNFJMWAK-UHFFFAOYSA-N 1 0 461.566 4.264 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001321616286 1067176580 /nfs/dbraw/zinc/17/65/80/1067176580.db2.gz UYYRGSWQSHVKBG-BGYRXZFFSA-N 1 0 485.650 4.210 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1 ZINC001321641269 1067188255 /nfs/dbraw/zinc/18/82/55/1067188255.db2.gz ZUBBCXBJEVXFDA-UHFFFAOYSA-N 1 0 462.388 4.265 20 0 JIADRO CC(C)(C)n1cc(C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(-c2ccccc2Cl)n1 ZINC001321654216 1067190248 /nfs/dbraw/zinc/19/02/48/1067190248.db2.gz NLFGLXHJIMFVJJ-VWLOTQADSA-N 1 0 465.985 4.303 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)c2)n1 ZINC001321737049 1067205237 /nfs/dbraw/zinc/20/52/37/1067205237.db2.gz TZZHDMWMFBRNNE-UHFFFAOYSA-N 1 0 461.566 4.144 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC001351782042 1067205429 /nfs/dbraw/zinc/20/54/29/1067205429.db2.gz TUZSALZODMJEQB-UHFFFAOYSA-N 1 0 450.601 4.117 20 0 JIADRO O=C(NCc1cccc(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001351795487 1067209303 /nfs/dbraw/zinc/20/93/03/1067209303.db2.gz QGKSFMRLUYCFDC-WOJBJXKFSA-N 1 0 456.409 4.438 20 0 JIADRO CC(C)(C)[NH+]1CCN(Cn2nc(-c3c[nH]c4ccccc34)n(C[C@H]3CCCO3)c2=S)CC1 ZINC001321782964 1067210640 /nfs/dbraw/zinc/21/06/40/1067210640.db2.gz DCSNXLXOLYSQQZ-GOSISDBHSA-N 1 0 454.644 4.115 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492549290 1067210939 /nfs/dbraw/zinc/21/09/39/1067210939.db2.gz WQBMCPAWTBFEBP-FCHUYYIVSA-N 1 0 455.647 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492549278 1067211211 /nfs/dbraw/zinc/21/12/11/1067211211.db2.gz WLTSIWHJIUFUTO-CTNGQTDRSA-N 1 0 453.587 4.065 20 0 JIADRO COC(=O)c1ccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001351826762 1067216523 /nfs/dbraw/zinc/21/65/23/1067216523.db2.gz SFHWQHZIUPFISY-GGXMVOPNSA-N 1 0 456.586 4.222 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300740278 1067217956 /nfs/dbraw/zinc/21/79/56/1067217956.db2.gz VDHAFGJQUDFVHK-YLJYHZDGSA-N 1 0 476.463 4.443 20 0 JIADRO C[N@@H+]1CCC[C@H](CCNC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200804543 1067218213 /nfs/dbraw/zinc/21/82/13/1067218213.db2.gz RLJCPUBNRQCBEL-SNVBAGLBSA-N 1 0 453.219 4.369 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001351891246 1067232376 /nfs/dbraw/zinc/23/23/76/1067232376.db2.gz AJUHELSTQVKOEQ-OAQYLSRUSA-N 1 0 456.631 4.113 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)NCC[NH+]1CCC(F)CC1 ZINC001200808463 1067243980 /nfs/dbraw/zinc/24/39/80/1067243980.db2.gz JYWRLHKDMFOQDB-UHFFFAOYSA-N 1 0 457.182 4.071 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001322147950 1067256646 /nfs/dbraw/zinc/25/66/46/1067256646.db2.gz FYJKUFKQVUWNMX-UHFFFAOYSA-N 1 0 462.985 4.347 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001322221175 1067263781 /nfs/dbraw/zinc/26/37/81/1067263781.db2.gz MUUAADMQVJYLCE-UHFFFAOYSA-N 1 0 462.575 4.149 20 0 JIADRO Cc1cc(I)cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC001352018979 1067270147 /nfs/dbraw/zinc/27/01/47/1067270147.db2.gz JXOQUFZJSKICBG-GOSISDBHSA-N 1 0 452.336 4.458 20 0 JIADRO O=C(C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001322303456 1067272067 /nfs/dbraw/zinc/27/20/67/1067272067.db2.gz KCECOKIEDHSRLB-BSQOICDSSA-N 1 0 467.629 4.114 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001322332105 1067276825 /nfs/dbraw/zinc/27/68/25/1067276825.db2.gz IAENOHVCUUYNKZ-UHFFFAOYSA-N 1 0 468.399 4.111 20 0 JIADRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352079077 1067282165 /nfs/dbraw/zinc/28/21/65/1067282165.db2.gz FTUYQHPUHHFUFM-HNNXBMFYSA-N 1 0 451.792 4.434 20 0 JIADRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352081620 1067282775 /nfs/dbraw/zinc/28/27/75/1067282775.db2.gz SVSFKWBFDJQFSB-HUUCEWRRSA-N 1 0 451.792 4.433 20 0 JIADRO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC001352082262 1067283587 /nfs/dbraw/zinc/28/35/87/1067283587.db2.gz YHFOLHZNKGRGKD-HNNXBMFYSA-N 1 0 454.464 4.151 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001300757238 1067286510 /nfs/dbraw/zinc/28/65/10/1067286510.db2.gz FLTSOMLUPOWUSN-YLJYHZDGSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300758034 1067289862 /nfs/dbraw/zinc/28/98/62/1067289862.db2.gz PATIFJZGIQDJQE-WAOWUJCRSA-N 1 0 463.573 4.282 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300758447 1067291232 /nfs/dbraw/zinc/29/12/32/1067291232.db2.gz SOQFURKXWKTNNA-MJGOQNOKSA-N 1 0 479.467 4.306 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC001322591100 1067304630 /nfs/dbraw/zinc/30/46/30/1067304630.db2.gz UZYYAMBRMREWKC-UHFFFAOYSA-N 1 0 450.004 4.087 20 0 JIADRO COc1cc(C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)ccc1OCc1ccc(Cl)cc1 ZINC001322611254 1067305541 /nfs/dbraw/zinc/30/55/41/1067305541.db2.gz ORLSAUWSBGKPFA-SANMLTNESA-N 1 0 479.964 4.272 20 0 JIADRO CCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352174609 1067306037 /nfs/dbraw/zinc/30/60/37/1067306037.db2.gz DINUUXIBFFTVDV-QFIPXVFZSA-N 1 0 453.583 4.179 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492579161 1067312766 /nfs/dbraw/zinc/31/27/66/1067312766.db2.gz FECNMIVYUJOWCA-PZJWPPBQSA-N 1 0 479.591 4.455 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N=c1sccn1Cc1ccccc1Cl ZINC001352238648 1067315866 /nfs/dbraw/zinc/31/58/66/1067315866.db2.gz XELDDTMPGQFOJI-UHFFFAOYSA-N 1 0 455.027 4.281 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001492495456 1067324829 /nfs/dbraw/zinc/32/48/29/1067324829.db2.gz XZIZTOAJDFMOHK-LJQANCHMSA-N 1 0 483.611 4.150 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492580401 1067325282 /nfs/dbraw/zinc/32/52/82/1067325282.db2.gz CTRLWLQAPRUVKI-NKKJXINNSA-N 1 0 496.700 4.257 20 0 JIADRO C[C@H](OC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001323994582 1067331642 /nfs/dbraw/zinc/33/16/42/1067331642.db2.gz MCVSRSBMBCKLTR-INIZCTEOSA-N 1 0 489.494 4.393 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492498345 1067341620 /nfs/dbraw/zinc/34/16/20/1067341620.db2.gz ZUUVAUHSPUPZTI-LJQANCHMSA-N 1 0 497.594 4.122 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300001988 1067342045 /nfs/dbraw/zinc/34/20/45/1067342045.db2.gz IIRXBIVVJOGQJZ-FQEVSTJZSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300002232 1067342906 /nfs/dbraw/zinc/34/29/06/1067342906.db2.gz LXFNRVFOUGCNBF-LJQANCHMSA-N 1 0 485.654 4.161 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)CC1 ZINC001300785553 1067347047 /nfs/dbraw/zinc/34/70/47/1067347047.db2.gz GKRZJZIVXYOSQE-WIYYLYMNSA-N 1 0 475.703 4.493 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300003483 1067347583 /nfs/dbraw/zinc/34/75/83/1067347583.db2.gz WQESMJIDVUKRLK-SFHVURJKSA-N 1 0 482.629 4.468 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC(F)(F)F)CC1 ZINC001300786529 1067348881 /nfs/dbraw/zinc/34/88/81/1067348881.db2.gz OCMIIQKMVBGTNY-UHFFFAOYSA-N 1 0 483.579 4.362 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Nc3cnn(C)c3)nnc2[C@@H](C)Oc2cccc(C)c2C)CC1 ZINC001300787343 1067350564 /nfs/dbraw/zinc/35/05/64/1067350564.db2.gz SUHQSWPRMIACKN-HXUWFJFHSA-N 1 0 481.645 4.401 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300005672 1067353257 /nfs/dbraw/zinc/35/32/57/1067353257.db2.gz HSSWWMGOCCMKPP-LJQANCHMSA-N 1 0 482.610 4.260 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492554099 1067353828 /nfs/dbraw/zinc/35/38/28/1067353828.db2.gz RRPXLPZBHKNNPI-VXKWHMMOSA-N 1 0 452.647 4.284 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)c(OC)c1 ZINC001300008132 1067358211 /nfs/dbraw/zinc/35/82/11/1067358211.db2.gz CNMSBSWDFKVALW-UNMCSNQZSA-N 1 0 485.654 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)c(OC)c1 ZINC001300008129 1067358438 /nfs/dbraw/zinc/35/84/38/1067358438.db2.gz CNMSBSWDFKVALW-IFMALSPDSA-N 1 0 485.654 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300011851 1067365003 /nfs/dbraw/zinc/36/50/03/1067365003.db2.gz MBNCTCUHLQINEO-LJQANCHMSA-N 1 0 469.552 4.471 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793707 1067365872 /nfs/dbraw/zinc/36/58/72/1067365872.db2.gz ANXZHSKQXAKMPE-MZEQIWSPSA-N 1 0 487.714 4.333 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300012789 1067367892 /nfs/dbraw/zinc/36/78/92/1067367892.db2.gz FZYVJDKBWAMAPT-UHFFFAOYSA-N 1 0 491.702 4.041 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492555319 1067375427 /nfs/dbraw/zinc/37/54/27/1067375427.db2.gz JKHMLDOXKYTUOS-PKTZIBPZSA-N 1 0 462.642 4.271 20 0 JIADRO COc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001300017611 1067379711 /nfs/dbraw/zinc/37/97/11/1067379711.db2.gz YJBPAYHLOKKOHW-UHFFFAOYSA-N 1 0 473.662 4.068 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492581568 1067385554 /nfs/dbraw/zinc/38/55/54/1067385554.db2.gz JWKXPWZFSMSHMY-UKILVPOCSA-N 1 0 453.675 4.407 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001300021833 1067386394 /nfs/dbraw/zinc/38/63/94/1067386394.db2.gz LAQWPKBVJCXHIF-HZPDHXFCSA-N 1 0 464.452 4.396 20 0 JIADRO CCOc1c(Cl)cc(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1OC ZINC001355213069 1067389803 /nfs/dbraw/zinc/38/98/03/1067389803.db2.gz PUQNLFRNMGXMSE-UHFFFAOYSA-N 1 0 456.974 4.102 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300022894 1067390186 /nfs/dbraw/zinc/39/01/86/1067390186.db2.gz GWSIMASRBVHVIU-BGYRXZFFSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC(C)(C)[NH+]2CCCCC2)c(OC)c1 ZINC001300022902 1067390646 /nfs/dbraw/zinc/39/06/46/1067390646.db2.gz GXOUDFZBRWMVFM-LJQANCHMSA-N 1 0 471.646 4.231 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300025931 1067397075 /nfs/dbraw/zinc/39/70/75/1067397075.db2.gz WWBPTWUJHYJNNG-FDTRYVBHSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001300026639 1067398804 /nfs/dbraw/zinc/39/88/04/1067398804.db2.gz ZZPCBJMXCHHSDH-QZTZHPFYSA-N 1 0 459.660 4.024 20 0 JIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001352449561 1067399950 /nfs/dbraw/zinc/39/99/50/1067399950.db2.gz CRXBRSQGDNVJPR-FGZHOGPDSA-N 1 0 465.619 4.425 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300028949 1067409600 /nfs/dbraw/zinc/40/96/00/1067409600.db2.gz GGHCQRUQMDOJMX-UHFFFAOYSA-N 1 0 479.547 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300032858 1067428722 /nfs/dbraw/zinc/42/87/22/1067428722.db2.gz GHYLEVXVEJYPSN-KOSHJBKYSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300033760 1067433651 /nfs/dbraw/zinc/43/36/51/1067433651.db2.gz RJPXVDKMYLWVTB-WEYGHZABSA-N 1 0 485.654 4.188 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001300033916 1067435296 /nfs/dbraw/zinc/43/52/96/1067435296.db2.gz OHFXJAYTMNJKKF-HOYKHHGWSA-N 1 0 495.590 4.215 20 0 JIADRO CCOC(=O)c1cc(C(=O)N(CC[NH+](CC)CC)c2cccc(Br)c2)[nH]c1C ZINC001355374837 1067438075 /nfs/dbraw/zinc/43/80/75/1067438075.db2.gz ILWFHYLWWOYWSC-UHFFFAOYSA-N 1 0 450.377 4.251 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300036926 1067446940 /nfs/dbraw/zinc/44/69/40/1067446940.db2.gz VIDGWVHGXICNSR-CVEARBPZSA-N 1 0 462.436 4.435 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001300037210 1067447927 /nfs/dbraw/zinc/44/79/27/1067447927.db2.gz YNPLLJZIDJALJU-OALUTQOASA-N 1 0 471.646 4.086 20 0 JIADRO CC(C)c1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)N2CCc3sccc3C2)cc1 ZINC001355413355 1067456223 /nfs/dbraw/zinc/45/62/23/1067456223.db2.gz RZUQVGOUAXXSFC-XMMPIXPASA-N 1 0 455.668 4.198 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1OC ZINC001300040283 1067460908 /nfs/dbraw/zinc/46/09/08/1067460908.db2.gz KFTBTPSZIGAPHE-IRLDBZIGSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001300043542 1067482374 /nfs/dbraw/zinc/48/23/74/1067482374.db2.gz GRDUXSDQBULBQG-UHFFFAOYSA-N 1 0 486.661 4.178 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(C)nc2)cc1Br ZINC001300043742 1067484303 /nfs/dbraw/zinc/48/43/03/1067484303.db2.gz JXRZLHCJTZDRST-UHFFFAOYSA-N 1 0 499.457 4.435 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC001300045739 1067494972 /nfs/dbraw/zinc/49/49/72/1067494972.db2.gz PMJYMHDPCNUIAA-NRFANRHFSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300045846 1067495739 /nfs/dbraw/zinc/49/57/39/1067495739.db2.gz SKWNLOGHAFGTQT-HXUWFJFHSA-N 1 0 485.673 4.478 20 0 JIADRO CN(C(=O)c1cc(F)ccc1I)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355531318 1067500368 /nfs/dbraw/zinc/50/03/68/1067500368.db2.gz XFJZJTUKRSLVNQ-QGZVFWFLSA-N 1 0 452.311 4.167 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300048106 1067502403 /nfs/dbraw/zinc/50/24/03/1067502403.db2.gz PIPWJVHWLFHIMU-MRXNPFEDSA-N 1 0 460.420 4.355 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300050862 1067511125 /nfs/dbraw/zinc/51/11/25/1067511125.db2.gz VPAYJFFZUFQADU-BDTNDASRSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300051181 1067513637 /nfs/dbraw/zinc/51/36/37/1067513637.db2.gz DBRQWJZCPQLENO-FQRUVTKNSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300052134 1067520899 /nfs/dbraw/zinc/52/08/99/1067520899.db2.gz VTDVTMYRKKUOOD-MHZLTWQESA-N 1 0 485.673 4.480 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001492582608 1067529052 /nfs/dbraw/zinc/52/90/52/1067529052.db2.gz MYAQDWGGHXSXGP-RUZDIDTESA-N 1 0 453.656 4.113 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300053887 1067528947 /nfs/dbraw/zinc/52/89/47/1067528947.db2.gz LYOPBBUGMHGMLL-YADHBBJMSA-N 1 0 496.700 4.064 20 0 JIADRO COc1ccc(CCNC(=S)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cc1OC ZINC001200073925 1067531808 /nfs/dbraw/zinc/53/18/08/1067531808.db2.gz YQRUSWGNBWHLLS-NNWRFLSQSA-N 1 0 473.708 4.415 20 0 JIADRO COc1ccc(CCNC(=S)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cc1OC ZINC001200073923 1067532091 /nfs/dbraw/zinc/53/20/91/1067532091.db2.gz YQRUSWGNBWHLLS-ILWGZMRPSA-N 1 0 473.708 4.415 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC001200076647 1067541354 /nfs/dbraw/zinc/54/13/54/1067541354.db2.gz CQDQHSGCBYGQPJ-UHFFFAOYSA-N 1 0 467.679 4.499 20 0 JIADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2n(n1)CCCC2=O)[NH+](C)C ZINC001355669143 1067547782 /nfs/dbraw/zinc/54/77/82/1067547782.db2.gz AFULYZKPVYXUGC-HXUWFJFHSA-N 1 0 451.398 4.395 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2csc(C)n2)c(OC)c1 ZINC001300061220 1067563469 /nfs/dbraw/zinc/56/34/69/1067563469.db2.gz CGIGHUAKUHJYDH-UHFFFAOYSA-N 1 0 484.670 4.281 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001300061371 1067563525 /nfs/dbraw/zinc/56/35/25/1067563525.db2.gz FHVPAFYZPAONIF-UHFFFAOYSA-N 1 0 478.641 4.495 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001300063468 1067572888 /nfs/dbraw/zinc/57/28/88/1067572888.db2.gz SSHXEJJOPHAABN-HXUWFJFHSA-N 1 0 498.672 4.322 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC001352628023 1067590035 /nfs/dbraw/zinc/59/00/35/1067590035.db2.gz ZOHRVWZIJKLMSP-UHFFFAOYSA-N 1 0 454.800 4.274 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCOC(C)(C)C)cc1OC ZINC001300070100 1067590518 /nfs/dbraw/zinc/59/05/18/1067590518.db2.gz BECQJOPOZIIQEF-UHFFFAOYSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001300070529 1067590921 /nfs/dbraw/zinc/59/09/21/1067590921.db2.gz HLWSGKUGZBXTME-FQEVSTJZSA-N 1 0 498.672 4.179 20 0 JIADRO CC[NH+](CC)CCN(C(=O)Cn1ccc2ccccc2c1=O)c1cccc(Br)c1 ZINC001355861572 1067593377 /nfs/dbraw/zinc/59/33/77/1067593377.db2.gz NZSDTUJWZRCRPF-UHFFFAOYSA-N 1 0 456.384 4.139 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCC=C(C)C)c(OC)c1 ZINC001300075583 1067601756 /nfs/dbraw/zinc/60/17/56/1067601756.db2.gz FSRXPGFDJOPXQU-GOTSBHOMSA-N 1 0 496.700 4.313 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2[C@@H]2C[C@H]2C(C)C)cc1 ZINC001300077006 1067605611 /nfs/dbraw/zinc/60/56/11/1067605611.db2.gz VTKSNMFEEZRYIK-LEWJYISDSA-N 1 0 481.563 4.262 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300077668 1067607861 /nfs/dbraw/zinc/60/78/61/1067607861.db2.gz XIJXZUCOFVVTSK-RDPSFJRHSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300078555 1067613068 /nfs/dbraw/zinc/61/30/68/1067613068.db2.gz JULZKHNROHQMDR-SFTDATJTSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300085249 1067626796 /nfs/dbraw/zinc/62/67/96/1067626796.db2.gz QAXHPIPIVVXGMD-AUSIDOKSSA-N 1 0 473.687 4.272 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)cc1OC ZINC001300086899 1067631578 /nfs/dbraw/zinc/63/15/78/1067631578.db2.gz CZCLIIKNGLXIIO-LJQANCHMSA-N 1 0 461.676 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300087219 1067632309 /nfs/dbraw/zinc/63/23/09/1067632309.db2.gz GTHWOCCWZNFUQC-SFHVURJKSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)cc1OC ZINC001300087852 1067634053 /nfs/dbraw/zinc/63/40/53/1067634053.db2.gz CMGDWCCFWULIEQ-VQIMIIECSA-N 1 0 481.563 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300087909 1067634659 /nfs/dbraw/zinc/63/46/59/1067634659.db2.gz KCBQRMKRPWLXPL-SJORKVTESA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c(OC)c1 ZINC001300089398 1067641120 /nfs/dbraw/zinc/64/11/20/1067641120.db2.gz RCHSVRQEBONTKX-SPYBWZPUSA-N 1 0 467.536 4.080 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(I)cc1F ZINC001356051464 1067645241 /nfs/dbraw/zinc/64/52/41/1067645241.db2.gz GUZCQQOZRCMROV-UHFFFAOYSA-N 1 0 452.311 4.346 20 0 JIADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCc1ccccc1C[NH+]1CCCCC1 ZINC001356054501 1067646496 /nfs/dbraw/zinc/64/64/96/1067646496.db2.gz WIYMYQJKGPIMIX-IBGZPJMESA-N 1 0 456.384 4.177 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)C2)cc1 ZINC001300099611 1067671827 /nfs/dbraw/zinc/67/18/27/1067671827.db2.gz ISEGAYQBXZYUBV-XMMPIXPASA-N 1 0 482.717 4.143 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001300100238 1067674297 /nfs/dbraw/zinc/67/42/97/1067674297.db2.gz SWAROUFHDOIYDS-NRFANRHFSA-N 1 0 494.684 4.196 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001300102677 1067679768 /nfs/dbraw/zinc/67/97/68/1067679768.db2.gz IQPOPCAKXGIQKM-IBGZPJMESA-N 1 0 499.059 4.420 20 0 JIADRO C[C@H](c1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC001200121681 1067682549 /nfs/dbraw/zinc/68/25/49/1067682549.db2.gz LMXGLUNYHLFNEY-JOCHJYFZSA-N 1 0 450.627 4.456 20 0 JIADRO CC(C)[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC001356203744 1067690926 /nfs/dbraw/zinc/69/09/26/1067690926.db2.gz NRWIIJIIZXCXHE-FBLLAGFSSA-N 1 0 457.659 4.341 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)C3([C@H]4CCCCO4)CCOCC3)cc2Cl)CC1 ZINC001356209179 1067691576 /nfs/dbraw/zinc/69/15/76/1067691576.db2.gz WVPZPGNTZIDVLN-JOCHJYFZSA-N 1 0 450.023 4.176 20 0 JIADRO Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)n2)ccc1F ZINC001356227841 1067699329 /nfs/dbraw/zinc/69/93/29/1067699329.db2.gz HNOVTWNPGFDWGF-SFHVURJKSA-N 1 0 451.546 4.206 20 0 JIADRO C[NH+](C)C[C@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc2O1 ZINC001356229971 1067700032 /nfs/dbraw/zinc/70/00/32/1067700032.db2.gz TXFYZBDWOQZVKR-IBGZPJMESA-N 1 0 457.983 4.274 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300113240 1067717951 /nfs/dbraw/zinc/71/79/51/1067717951.db2.gz HXRJTTOQXKSNGE-OYRHEFFESA-N 1 0 457.688 4.278 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300115842 1067725045 /nfs/dbraw/zinc/72/50/45/1067725045.db2.gz AZBDSZSQQJCAIF-UHFFFAOYSA-N 1 0 467.580 4.438 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001356328566 1067725457 /nfs/dbraw/zinc/72/54/57/1067725457.db2.gz VBSLNEGFMHDQMW-UHFFFAOYSA-N 1 0 457.553 4.320 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001300118457 1067730701 /nfs/dbraw/zinc/73/07/01/1067730701.db2.gz YSKKODGCLZRCHR-NRFANRHFSA-N 1 0 465.564 4.191 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300119482 1067733663 /nfs/dbraw/zinc/73/36/63/1067733663.db2.gz VUJBHJPCFHWRDY-UHFFFAOYSA-N 1 0 461.601 4.429 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300120043 1067735851 /nfs/dbraw/zinc/73/58/51/1067735851.db2.gz DQJSWUNKRRAQQI-AJTFRIOCSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001300121054 1067738975 /nfs/dbraw/zinc/73/89/75/1067738975.db2.gz LRBOWGGQNXVZNE-SFHVURJKSA-N 1 0 498.416 4.124 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)ccn1 ZINC001356378960 1067740074 /nfs/dbraw/zinc/74/00/74/1067740074.db2.gz VTYFOKLDHSXNJF-UHFFFAOYSA-N 1 0 455.603 4.432 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)c2c(C)noc2C)cc1 ZINC001300122901 1067742981 /nfs/dbraw/zinc/74/29/81/1067742981.db2.gz LDHMRRBHOWHBNQ-FQEVSTJZSA-N 1 0 480.657 4.401 20 0 JIADRO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC001356461306 1067757532 /nfs/dbraw/zinc/75/75/32/1067757532.db2.gz UHZVNNDNSWEDOP-FQEVSTJZSA-N 1 0 455.624 4.140 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300128162 1067760364 /nfs/dbraw/zinc/76/03/64/1067760364.db2.gz ILCREHUSVVMTCF-NHCUHLMSSA-N 1 0 457.688 4.278 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132744 1067771132 /nfs/dbraw/zinc/77/11/32/1067771132.db2.gz DRMDYSKUCPDGKE-ISKFKSNPSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(C[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC001352872475 1067778361 /nfs/dbraw/zinc/77/83/61/1067778361.db2.gz UJVKUZYZWYDODU-KRWDZBQOSA-N 1 0 452.517 4.492 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000849059273 1067789970 /nfs/dbraw/zinc/78/99/70/1067789970.db2.gz OBPUZNIWQMUORT-QAPCUYQASA-N 1 0 479.408 4.043 20 0 JIADRO COc1cccc(N2CC[NH+](CCSCC(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC001473085479 1067800866 /nfs/dbraw/zinc/80/08/66/1067800866.db2.gz JDWBEKDVUXRYGI-UHFFFAOYSA-N 1 0 454.423 4.496 20 0 JIADRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)C[C@H](C)O1 ZINC000481532411 1067802705 /nfs/dbraw/zinc/80/27/05/1067802705.db2.gz JLCNRIHVYIAYDS-GJZGRUSLSA-N 1 0 450.008 4.212 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001300162423 1067817726 /nfs/dbraw/zinc/81/77/26/1067817726.db2.gz MTKOBCFLKUWWIN-HXUWFJFHSA-N 1 0 464.614 4.258 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1 ZINC001357205352 1067818349 /nfs/dbraw/zinc/81/83/49/1067818349.db2.gz XWCSAZGGYZPKCF-UHFFFAOYSA-N 1 0 454.958 4.469 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300163264 1067819911 /nfs/dbraw/zinc/81/99/11/1067819911.db2.gz ZMTOWZRTWLXEQS-FQEVSTJZSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[NH+]2CCC(C)CC2)cc1O ZINC001300169276 1067827223 /nfs/dbraw/zinc/82/72/23/1067827223.db2.gz CNZFOLSVOTYCRS-QFIPXVFZSA-N 1 0 471.646 4.035 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001300170901 1067830119 /nfs/dbraw/zinc/83/01/19/1067830119.db2.gz YMRCHFYWSVFKCK-OFNKIYASSA-N 1 0 453.587 4.369 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC001300172134 1067831451 /nfs/dbraw/zinc/83/14/51/1067831451.db2.gz FUVDYHWFJWWFOC-LJQANCHMSA-N 1 0 461.626 4.152 20 0 JIADRO CCc1c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001357305440 1067832557 /nfs/dbraw/zinc/83/25/57/1067832557.db2.gz XYXOSJOBEIAJDW-UHFFFAOYSA-N 1 0 456.015 4.327 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300173620 1067833125 /nfs/dbraw/zinc/83/31/25/1067833125.db2.gz MBKMDRBZSRWUOY-QUCCMNQESA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300174363 1067833895 /nfs/dbraw/zinc/83/38/95/1067833895.db2.gz SHZJPNRSBYGMSV-PZJWPPBQSA-N 1 0 459.610 4.078 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC(F)F ZINC001300174629 1067834327 /nfs/dbraw/zinc/83/43/27/1067834327.db2.gz USUKJOJJVAYPGW-LJQANCHMSA-N 1 0 493.599 4.150 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCCC2)cc1O ZINC001300176679 1067837450 /nfs/dbraw/zinc/83/74/50/1067837450.db2.gz BTJDMRKMGKYXIN-UHFFFAOYSA-N 1 0 455.628 4.157 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001300177819 1067838773 /nfs/dbraw/zinc/83/87/73/1067838773.db2.gz VTQKFBWUCMQBKG-SFHVURJKSA-N 1 0 468.671 4.319 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001357364538 1067839458 /nfs/dbraw/zinc/83/94/58/1067839458.db2.gz CXQLNWOQGDYMRP-RTWAWAEBSA-N 1 0 459.631 4.459 20 0 JIADRO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434236 1067849583 /nfs/dbraw/zinc/84/95/83/1067849583.db2.gz FZVWPGUNKVTOKE-FPOVZHCZSA-N 1 0 459.384 4.082 20 0 JIADRO C[N@H+](CCNC(=O)Cc1csc(-c2sccc2Br)n1)Cc1ccccc1 ZINC001357461474 1067852798 /nfs/dbraw/zinc/85/27/98/1067852798.db2.gz UYTXGJIOEKWUPE-UHFFFAOYSA-N 1 0 450.427 4.425 20 0 JIADRO Cc1cccc(C2([NH2+]CC(=O)N(c3ccc(C)c(C)c3)[C@H]3C=CS(=O)(=O)C3)CCCC2)c1 ZINC001473277895 1067854800 /nfs/dbraw/zinc/85/48/00/1067854800.db2.gz HPOPDIRDGRHRGU-DEOSSOPVSA-N 1 0 452.620 4.315 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC001300195953 1067864073 /nfs/dbraw/zinc/86/40/73/1067864073.db2.gz IAJDGIOKRNGAMX-UHFFFAOYSA-N 1 0 458.969 4.110 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001200222954 1067866763 /nfs/dbraw/zinc/86/67/63/1067866763.db2.gz ZEMJDTAVYZVAIN-UHFFFAOYSA-N 1 0 481.504 4.027 20 0 JIADRO Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@@H+]3C2)n1 ZINC001200223213 1067867445 /nfs/dbraw/zinc/86/74/45/1067867445.db2.gz UEGAIYLUQCVZOJ-LEWJYISDSA-N 1 0 489.483 4.441 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)o2)n1CC[NH+]1CCSCC1 ZINC001492557715 1067872129 /nfs/dbraw/zinc/87/21/29/1067872129.db2.gz UJMCPFUCMZWXII-UHFFFAOYSA-N 1 0 476.444 4.294 20 0 JIADRO C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578441 1067873716 /nfs/dbraw/zinc/87/37/16/1067873716.db2.gz KGCSFMNKYWPPTB-MRXNPFEDSA-N 1 0 455.965 4.122 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001200230305 1067875031 /nfs/dbraw/zinc/87/50/31/1067875031.db2.gz GPZDWTUPYVAONS-AEFFLSMTSA-N 1 0 497.503 4.294 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2cscn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492558329 1067875656 /nfs/dbraw/zinc/87/56/56/1067875656.db2.gz QTYRNFSYXBDGMG-RTBURBONSA-N 1 0 454.644 4.234 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(N3CCNC3=O)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599769 1067876131 /nfs/dbraw/zinc/87/61/31/1067876131.db2.gz RDBHRXNECAHONK-DEOSSOPVSA-N 1 0 450.583 4.248 20 0 JIADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1 ZINC001353149211 1067881572 /nfs/dbraw/zinc/88/15/72/1067881572.db2.gz YWSCPUSSDAZOJT-UHFFFAOYSA-N 1 0 450.583 4.238 20 0 JIADRO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641687 1067881608 /nfs/dbraw/zinc/88/16/08/1067881608.db2.gz WMTDSXJOJFGQAI-TUUKDFBESA-N 1 0 453.583 4.390 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492560127 1067887904 /nfs/dbraw/zinc/88/79/04/1067887904.db2.gz SBQZVLNWJPAATK-HSZRJFAPSA-N 1 0 482.698 4.165 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1 ZINC001353199306 1067897752 /nfs/dbraw/zinc/89/77/52/1067897752.db2.gz OXUJOPDFRQLBDD-IZZDOVSWSA-N 1 0 455.356 4.227 20 0 JIADRO C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357779643 1067898696 /nfs/dbraw/zinc/89/86/96/1067898696.db2.gz IBEQGPIOKYYTSA-ZTCOLXNVSA-N 1 0 451.611 4.322 20 0 JIADRO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@H]1C ZINC001357784294 1067899708 /nfs/dbraw/zinc/89/97/08/1067899708.db2.gz BBWIYJPGDSPBLY-DXIQSLLYSA-N 1 0 453.583 4.218 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1F ZINC001300230335 1067906785 /nfs/dbraw/zinc/90/67/85/1067906785.db2.gz GQQFNYFJQJZTJW-QHCPKHFHSA-N 1 0 486.680 4.239 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001200267754 1067907654 /nfs/dbraw/zinc/90/76/54/1067907654.db2.gz QZPFYHWFOPBPJE-UHFFFAOYSA-N 1 0 462.660 4.014 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300237703 1067934131 /nfs/dbraw/zinc/93/41/31/1067934131.db2.gz OHKKYMHNPPCIPF-GOSISDBHSA-N 1 0 462.038 4.345 20 0 JIADRO CN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC001357903953 1067936306 /nfs/dbraw/zinc/93/63/06/1067936306.db2.gz CZLROYWTGVOXDB-UPVQGACJSA-N 1 0 455.002 4.029 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3sccc3Br)cc2)C[C@H]1C ZINC001357908279 1067938623 /nfs/dbraw/zinc/93/86/23/1067938623.db2.gz ZUZPBERODAPAQE-IYBDPMFKSA-N 1 0 451.430 4.450 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001300245541 1067968433 /nfs/dbraw/zinc/96/84/33/1067968433.db2.gz RYXITMUEQBOFRI-UHFFFAOYSA-N 1 0 486.680 4.310 20 0 JIADRO COc1ccc(OC)c(CN(CCO)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300252598 1068005527 /nfs/dbraw/zinc/00/55/27/1068005527.db2.gz BKQXNMDSNAKNCI-FQEVSTJZSA-N 1 0 487.689 4.102 20 0 JIADRO CC(C)(C)OCc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062757 1068006016 /nfs/dbraw/zinc/00/60/16/1068006016.db2.gz PCDMCCXOLLPNQW-QFIPXVFZSA-N 1 0 450.627 4.071 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccc(Br)s2)CC1 ZINC001358076896 1068011930 /nfs/dbraw/zinc/01/19/30/1068011930.db2.gz HARBOUUDLSFHHV-AWEZNQCLSA-N 1 0 454.409 4.212 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2nc(C(C)C)oc2C)cc1OC ZINC001358086219 1068016668 /nfs/dbraw/zinc/01/66/68/1068016668.db2.gz WTUAKDSYAHQSPS-UHFFFAOYSA-N 1 0 450.967 4.092 20 0 JIADRO CCOC(=O)N1[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[C@H]1c1ccc(C)o1 ZINC001358096194 1068018400 /nfs/dbraw/zinc/01/84/00/1068018400.db2.gz ZFIJEMXENIAETH-LEWJYISDSA-N 1 0 457.596 4.438 20 0 JIADRO COc1ccc(OC)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001300260027 1068022385 /nfs/dbraw/zinc/02/23/85/1068022385.db2.gz HCFAMJSEWBSHCP-FYYLOGMGSA-N 1 0 485.673 4.183 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263827 1068031077 /nfs/dbraw/zinc/03/10/77/1068031077.db2.gz RBJHRIBGANFQLG-FQEVSTJZSA-N 1 0 470.643 4.079 20 0 JIADRO Cc1cc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc(Cl)c1Br ZINC001358188296 1068040690 /nfs/dbraw/zinc/04/06/90/1068040690.db2.gz QIXUFKUBNMJTBQ-IBGZPJMESA-N 1 0 450.808 4.129 20 0 JIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001358188115 1068040733 /nfs/dbraw/zinc/04/07/33/1068040733.db2.gz OUOKJFVJKNFFPE-REWPJTCUSA-N 1 0 458.444 4.123 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300268414 1068042893 /nfs/dbraw/zinc/04/28/93/1068042893.db2.gz VFXKGXZJBOCEFU-UHFFFAOYSA-N 1 0 473.687 4.320 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Oc4cccc(Cl)c4)cn3)cc21 ZINC001358209895 1068044221 /nfs/dbraw/zinc/04/42/21/1068044221.db2.gz BQEFAISSJCMZLX-UHFFFAOYSA-N 1 0 452.898 4.249 20 0 JIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC001473355950 1068045361 /nfs/dbraw/zinc/04/53/61/1068045361.db2.gz NYHUMMHAFQKSMB-CQSZACIVSA-N 1 0 452.555 4.439 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300270412 1068049080 /nfs/dbraw/zinc/04/90/80/1068049080.db2.gz FAVHTAVPAYAIBO-SFHVURJKSA-N 1 0 479.547 4.296 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001358248288 1068050723 /nfs/dbraw/zinc/05/07/23/1068050723.db2.gz UOOPXXHUJWMLMP-FQEVSTJZSA-N 1 0 454.924 4.486 20 0 JIADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)Cc3nc(-c4ccccc4)cs3)cc2)CC1 ZINC001300278965 1068066429 /nfs/dbraw/zinc/06/64/29/1068066429.db2.gz AOZPSLPOLVLCSL-UHFFFAOYSA-N 1 0 450.608 4.008 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001492564801 1068070966 /nfs/dbraw/zinc/07/09/66/1068070966.db2.gz SILRFVWJQHDVQI-UHFFFAOYSA-N 1 0 465.564 4.269 20 0 JIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC001473366391 1068071786 /nfs/dbraw/zinc/07/17/86/1068071786.db2.gz DCDZZANBNWHJLE-OAQYLSRUSA-N 1 0 454.578 4.336 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001300293573 1068104364 /nfs/dbraw/zinc/10/43/64/1068104364.db2.gz BSFYXGLZDROKNI-UHFFFAOYSA-N 1 0 482.629 4.120 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccnc2)CC1 ZINC001200334089 1068105665 /nfs/dbraw/zinc/10/56/65/1068105665.db2.gz YXKJSUHGQAZKEH-UHFFFAOYSA-N 1 0 459.656 4.358 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCSC)cc1 ZINC001300294489 1068110113 /nfs/dbraw/zinc/11/01/13/1068110113.db2.gz KDBIWWGXHNHIPU-UHFFFAOYSA-N 1 0 459.660 4.074 20 0 JIADRO Cc1ccc(NC(=S)N[C@H]2CC[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200346417 1068165791 /nfs/dbraw/zinc/16/57/91/1068165791.db2.gz MSULKXKJCLNTNG-INIZCTEOSA-N 1 0 453.052 4.409 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC001353483652 1068192652 /nfs/dbraw/zinc/19/26/52/1068192652.db2.gz ZVVJVIZCOPFUDW-UHFFFAOYSA-N 1 0 457.372 4.024 20 0 JIADRO CCS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001200355662 1068212547 /nfs/dbraw/zinc/21/25/47/1068212547.db2.gz GFZUQJQREOVTNX-MGPUTAFESA-N 1 0 453.967 4.087 20 0 JIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1nc(-c3cccs3)oc1C)CC2 ZINC001200356533 1068216926 /nfs/dbraw/zinc/21/69/26/1068216926.db2.gz SXXYVLUYVGIOPC-UHFFFAOYSA-N 1 0 455.580 4.183 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(Cc3ccccn3)n1CCC[NH+](C(C)C)C(C)C)CC2 ZINC001300322170 1068239984 /nfs/dbraw/zinc/23/99/84/1068239984.db2.gz KZGJZECOFFBAFR-UHFFFAOYSA-N 1 0 462.642 4.344 20 0 JIADRO COc1ccc(OCCn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300323627 1068247011 /nfs/dbraw/zinc/24/70/11/1068247011.db2.gz QHGCKXBABIKWQC-UHFFFAOYSA-N 1 0 469.655 4.329 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001300331078 1068273186 /nfs/dbraw/zinc/27/31/86/1068273186.db2.gz QTDQOKMIZQCKCD-UHFFFAOYSA-N 1 0 492.668 4.182 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300331119 1068273272 /nfs/dbraw/zinc/27/32/72/1068273272.db2.gz RQVJWQCEETXCAC-OAQYLSRUSA-N 1 0 469.674 4.469 20 0 JIADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2)CC1 ZINC000612990164 1068280517 /nfs/dbraw/zinc/28/05/17/1068280517.db2.gz AZNTXCNZMYLFHK-UHFFFAOYSA-N 1 0 486.642 4.039 20 0 JIADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 ZINC000613086141 1068281533 /nfs/dbraw/zinc/28/15/33/1068281533.db2.gz PBMVGFHXZSODKX-UHFFFAOYSA-N 1 0 489.498 4.285 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC001300334398 1068300689 /nfs/dbraw/zinc/30/06/89/1068300689.db2.gz HGWQLBRIIHWZLY-DZFGPLHGSA-N 1 0 481.563 4.403 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nnc(NCc4ccc(F)cc4)s3)CC2)cc1 ZINC000614007135 1068306223 /nfs/dbraw/zinc/30/62/23/1068306223.db2.gz RSUKBNZKUKOZLJ-UHFFFAOYSA-N 1 0 485.654 4.424 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nnc(NCCc4cccs4)s3)CC2)cc1 ZINC000614012834 1068306978 /nfs/dbraw/zinc/30/69/78/1068306978.db2.gz XALIUCCYCWRKLH-UHFFFAOYSA-N 1 0 487.720 4.389 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c(C)c2)CC1 ZINC001353541871 1068308757 /nfs/dbraw/zinc/30/87/57/1068308757.db2.gz WBLYFTUKVBGFBJ-UHFFFAOYSA-N 1 0 452.574 4.403 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@H]2C)[NH+](C)C)c1 ZINC001300338532 1068317361 /nfs/dbraw/zinc/31/73/61/1068317361.db2.gz CKMVNMDAMYGINA-MSYCTHLASA-N 1 0 466.655 4.290 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3cccnc3)nnc2N2CCCC[C@H](SC)C2)[NH+](C)C)c1 ZINC001300339422 1068319544 /nfs/dbraw/zinc/31/95/44/1068319544.db2.gz HOCWKEDCPVUQHK-ZEQRLZLVSA-N 1 0 480.682 4.297 20 0 JIADRO COc1ccc(Br)cc1C1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001353560034 1068322922 /nfs/dbraw/zinc/32/29/22/1068322922.db2.gz PJJMHOREQDGHFK-UHFFFAOYSA-N 1 0 457.412 4.313 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OC(F)F)nc1 ZINC001353560809 1068323621 /nfs/dbraw/zinc/32/36/21/1068323621.db2.gz UKWDDSVEMIXQHJ-UHFFFAOYSA-N 1 0 452.505 4.253 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300340551 1068323761 /nfs/dbraw/zinc/32/37/61/1068323761.db2.gz MQVOLMSQFHWKKY-OAQYLSRUSA-N 1 0 474.531 4.108 20 0 JIADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000616088745 1068325837 /nfs/dbraw/zinc/32/58/37/1068325837.db2.gz LFOWFTHDBAECEE-UHFFFAOYSA-N 1 0 453.484 4.005 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCS[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300341109 1068326869 /nfs/dbraw/zinc/32/68/69/1068326869.db2.gz QJFXULHJIORPPE-AKIFATBCSA-N 1 0 473.687 4.061 20 0 JIADRO Cn1ncc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1I ZINC001353563872 1068327202 /nfs/dbraw/zinc/32/72/02/1068327202.db2.gz KHOTVFOUUZBKRB-UHFFFAOYSA-N 1 0 452.340 4.042 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)[NH+]2CCCC2)c1 ZINC001300341194 1068327247 /nfs/dbraw/zinc/32/72/47/1068327247.db2.gz QYWQDZRJJLRJDU-ZCYQVOJMSA-N 1 0 496.700 4.063 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC001300341549 1068328710 /nfs/dbraw/zinc/32/87/10/1068328710.db2.gz SCFYYUDZRQQBFB-ZRCGQRJVSA-N 1 0 455.647 4.326 20 0 JIADRO CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)c1 ZINC000521237721 1068330344 /nfs/dbraw/zinc/33/03/44/1068330344.db2.gz KFLOJECUUXMODQ-HRAATJIYSA-N 1 0 496.662 4.111 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)[NH+](C)C)c1 ZINC001300342297 1068330649 /nfs/dbraw/zinc/33/06/49/1068330649.db2.gz VXOQXXDHQKGRAJ-FYYLOGMGSA-N 1 0 469.674 4.310 20 0 JIADRO CC[C@H](c1nnc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1)c1ccccc1 ZINC000521748560 1068335414 /nfs/dbraw/zinc/33/54/14/1068335414.db2.gz WSHXVAONAWYMTA-YADHBBJMSA-N 1 0 492.649 4.099 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000619273486 1068347198 /nfs/dbraw/zinc/34/71/98/1068347198.db2.gz PDRSFTXMDWQWJE-UHFFFAOYSA-N 1 0 474.428 4.487 20 0 JIADRO CCCCc1ccc(NC(=S)N2CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)cc1 ZINC001200386660 1068350562 /nfs/dbraw/zinc/35/05/62/1068350562.db2.gz UVADDWKACNPPKI-MUUNZHRXSA-N 1 0 491.705 4.225 20 0 JIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001474154184 1068361581 /nfs/dbraw/zinc/36/15/81/1068361581.db2.gz REDFQQGQIPDCKG-NRFANRHFSA-N 1 0 455.668 4.396 20 0 JIADRO COc1cccc2c1CCC[C@H]([NH2+]C1CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC1)C2 ZINC001474154265 1068362386 /nfs/dbraw/zinc/36/23/86/1068362386.db2.gz UTUGALGOYZGPED-XXBNENTESA-N 1 0 456.652 4.161 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300351483 1068363197 /nfs/dbraw/zinc/36/31/97/1068363197.db2.gz KVVTWHONNJRKQS-OYRHEFFESA-N 1 0 485.673 4.157 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300351704 1068364080 /nfs/dbraw/zinc/36/40/80/1068364080.db2.gz PNQKRFPPAOZAFK-FGZHOGPDSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300353514 1068369292 /nfs/dbraw/zinc/36/92/92/1068369292.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 1 0 498.716 4.010 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000503151697 1068381905 /nfs/dbraw/zinc/38/19/05/1068381905.db2.gz ZAURAPWZJYSHCC-UHFFFAOYSA-N 1 0 476.528 4.201 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300361213 1068389181 /nfs/dbraw/zinc/38/91/81/1068389181.db2.gz JIXFXPIGSHACCS-GMAHTHKFSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001300369709 1068417834 /nfs/dbraw/zinc/41/78/34/1068417834.db2.gz JNHKYAKQHVQRBJ-UHFFFAOYSA-N 1 0 486.661 4.035 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001300374106 1068437821 /nfs/dbraw/zinc/43/78/21/1068437821.db2.gz CXQIBXWIOCXLMM-OAQYLSRUSA-N 1 0 498.672 4.322 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300374617 1068440602 /nfs/dbraw/zinc/44/06/02/1068440602.db2.gz IGXHKKHDSGEYOL-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300375532 1068444096 /nfs/dbraw/zinc/44/40/96/1068444096.db2.gz DTEFWQAFNOZQRV-HFZDXXHNSA-N 1 0 455.647 4.470 20 0 JIADRO S=C(NCC[NH+]1CCCCC1)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001200425809 1068494359 /nfs/dbraw/zinc/49/43/59/1068494359.db2.gz LBMKPMIMGBZAOK-UHFFFAOYSA-N 1 0 465.692 4.208 20 0 JIADRO COc1cccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300388386 1068496530 /nfs/dbraw/zinc/49/65/30/1068496530.db2.gz GFPBGQOCRWWMOK-WMZHIEFXSA-N 1 0 455.647 4.325 20 0 JIADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(Cl)c3SCC(F)F)ccn2)CC1 ZINC001200426739 1068498980 /nfs/dbraw/zinc/49/89/80/1068498980.db2.gz TXNAFUYVVWDNKB-UHFFFAOYSA-N 1 0 455.962 4.166 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300390551 1068506701 /nfs/dbraw/zinc/50/67/01/1068506701.db2.gz ZKDPNFXLPJRHEQ-SIKLNZKXSA-N 1 0 494.606 4.147 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccccc2)C(=S)NCC[NH+]2CCCCC2)[C@H](F)C1 ZINC001200431539 1068517951 /nfs/dbraw/zinc/51/79/51/1068517951.db2.gz XVHJKDSMHOSIEM-FGZHOGPDSA-N 1 0 478.678 4.197 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc(NC(=S)NCC[NH+]3CCCCC3)c2)C1 ZINC001200432899 1068525956 /nfs/dbraw/zinc/52/59/56/1068525956.db2.gz GDIIPBBBWWXENS-OAQYLSRUSA-N 1 0 462.660 4.237 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406175 1068569893 /nfs/dbraw/zinc/56/98/93/1068569893.db2.gz AVPWKDKIEZLVMK-JTHBVZDNSA-N 1 0 457.663 4.430 20 0 JIADRO S=C(NCC[NH+]1CCCCC1)NCc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC001200444832 1068570454 /nfs/dbraw/zinc/57/04/54/1068570454.db2.gz KIPMFKJVSXBKSS-UHFFFAOYSA-N 1 0 450.608 4.371 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC001353775404 1068571544 /nfs/dbraw/zinc/57/15/44/1068571544.db2.gz YNYWIKDSOMSSGO-UHFFFAOYSA-N 1 0 455.471 4.375 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CCO2)c1 ZINC001300406547 1068572634 /nfs/dbraw/zinc/57/26/34/1068572634.db2.gz FEUWYKBZTULJCY-VXKWHMMOSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)CCO2)c1 ZINC001300406566 1068573507 /nfs/dbraw/zinc/57/35/07/1068573507.db2.gz FPCQNXUOEMBPST-UVWWXKGLSA-N 1 0 455.647 4.499 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(F)ccc(C)c2Br)cc1 ZINC001353789986 1068587423 /nfs/dbraw/zinc/58/74/23/1068587423.db2.gz QMKAGOBEMPAPPC-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(-c4ccc(C)o4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300410082 1068588528 /nfs/dbraw/zinc/58/85/28/1068588528.db2.gz UJHOGKBSUBVAAG-XUZZJYLKSA-N 1 0 467.614 4.409 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300410078 1068588674 /nfs/dbraw/zinc/58/86/74/1068588674.db2.gz UJHOGKBSUBVAAG-QPPBQGQZSA-N 1 0 467.614 4.409 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)C(C)C)c1 ZINC001300420325 1068629752 /nfs/dbraw/zinc/62/97/52/1068629752.db2.gz TZVSUYBTZKMUIS-UHFFFAOYSA-N 1 0 489.462 4.421 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC001300434687 1068691890 /nfs/dbraw/zinc/69/18/90/1068691890.db2.gz HJZXZBNQZNAQOJ-TZBSWOFLSA-N 1 0 499.700 4.170 20 0 JIADRO COc1cccc(Cl)c1Cn1c(C(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001300435790 1068695595 /nfs/dbraw/zinc/69/55/95/1068695595.db2.gz PQGHUCGYGWSIES-UHFFFAOYSA-N 1 0 462.038 4.193 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437361 1068701823 /nfs/dbraw/zinc/70/18/23/1068701823.db2.gz OGTTUCKSCBXQGS-IMSXRSKXSA-N 1 0 499.700 4.268 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001300438446 1068705879 /nfs/dbraw/zinc/70/58/79/1068705879.db2.gz BBXRVMFYXSOSSV-FQEVSTJZSA-N 1 0 472.634 4.240 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001300453040 1068764298 /nfs/dbraw/zinc/76/42/98/1068764298.db2.gz ZPDQTYDDWMENNB-BCHFMIIMSA-N 1 0 471.646 4.162 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300469906 1068810615 /nfs/dbraw/zinc/81/06/15/1068810615.db2.gz IGSQVOSNLWLVCU-NRFANRHFSA-N 1 0 485.673 4.301 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300471049 1068811999 /nfs/dbraw/zinc/81/19/99/1068811999.db2.gz RPLUZGRPNNTSOR-QUCCMNQESA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300478953 1068830892 /nfs/dbraw/zinc/83/08/92/1068830892.db2.gz NTYXOJNVSGUVCD-NNMXDRDESA-N 1 0 495.590 4.478 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001300481560 1068836337 /nfs/dbraw/zinc/83/63/37/1068836337.db2.gz QTMFWOVENJBTSV-DEOSSOPVSA-N 1 0 495.590 4.215 20 0 JIADRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC001200533818 1068841091 /nfs/dbraw/zinc/84/10/91/1068841091.db2.gz JKQQFUVPKIZINV-KRWDZBQOSA-N 1 0 451.493 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001300486064 1068845926 /nfs/dbraw/zinc/84/59/26/1068845926.db2.gz PBSFVQCZHWFHEQ-SANMLTNESA-N 1 0 483.682 4.480 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC001354033160 1068850762 /nfs/dbraw/zinc/85/07/62/1068850762.db2.gz HHQFBOMPZVYSAX-UHFFFAOYSA-N 1 0 459.612 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300490159 1068853336 /nfs/dbraw/zinc/85/33/36/1068853336.db2.gz AZDIXMNDCPQLNI-RTBURBONSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCC=C(C)C ZINC001300490438 1068854175 /nfs/dbraw/zinc/85/41/75/1068854175.db2.gz DNWVJYMRJCFKGL-UHFFFAOYSA-N 1 0 466.674 4.305 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541774 1068857914 /nfs/dbraw/zinc/85/79/14/1068857914.db2.gz GSHDYOCSAZYWKH-MOISWYBYSA-N 1 0 469.651 4.004 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(-n4cncn4)c(C)c3)c2)cc1 ZINC001200545038 1068864192 /nfs/dbraw/zinc/86/41/92/1068864192.db2.gz QAASEEILDQBUBR-UHFFFAOYSA-N 1 0 457.534 4.005 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300496237 1068864841 /nfs/dbraw/zinc/86/48/41/1068864841.db2.gz GFVXNWMACBVLRG-GJZUVCINSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1cc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1N1CC[NH+](C)CC1 ZINC001354051423 1068866478 /nfs/dbraw/zinc/86/64/78/1068866478.db2.gz XHOJOSFJJFOEBJ-UHFFFAOYSA-N 1 0 450.583 4.250 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300498420 1068866917 /nfs/dbraw/zinc/86/69/17/1068866917.db2.gz NKEGFVCVGLVMDH-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300507763 1068882323 /nfs/dbraw/zinc/88/23/23/1068882323.db2.gz SOFOCERBJLZHRF-UHFFFAOYSA-N 1 0 498.672 4.133 20 0 JIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@@H](C)C1 ZINC001354075689 1068882365 /nfs/dbraw/zinc/88/23/65/1068882365.db2.gz GIMXECAZFYVXPB-JXFKEZNVSA-N 1 0 459.432 4.316 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300518446 1068905094 /nfs/dbraw/zinc/90/50/94/1068905094.db2.gz SKRYMYPADIOVAG-REWPJTCUSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300521152 1068913039 /nfs/dbraw/zinc/91/30/39/1068913039.db2.gz LLFZNBDZFFSATN-KBAYOESNSA-N 1 0 463.504 4.484 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300522053 1068915714 /nfs/dbraw/zinc/91/57/14/1068915714.db2.gz QSJZTHZELDTACJ-QHCPKHFHSA-N 1 0 482.673 4.279 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300523705 1068921261 /nfs/dbraw/zinc/92/12/61/1068921261.db2.gz AOPJEFHPIOTVDD-YADHBBJMSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001300524024 1068922429 /nfs/dbraw/zinc/92/24/29/1068922429.db2.gz GDRHGBHKORGTCS-IBGZPJMESA-N 1 0 499.059 4.180 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300528265 1068933306 /nfs/dbraw/zinc/93/33/06/1068933306.db2.gz CYGZOEBWCXWHNW-HXUWFJFHSA-N 1 0 463.630 4.076 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300528613 1068933718 /nfs/dbraw/zinc/93/37/18/1068933718.db2.gz FAJOOXBVYCBWRD-BHDDXSALSA-N 1 0 471.690 4.440 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300531538 1068944622 /nfs/dbraw/zinc/94/46/22/1068944622.db2.gz XFDBAFHQGUGOOU-XMSQKQJNSA-N 1 0 479.654 4.119 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300539437 1068966050 /nfs/dbraw/zinc/96/60/50/1068966050.db2.gz GDLQQKCULPEATB-FCHUYYIVSA-N 1 0 469.674 4.251 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000849211834 1068970330 /nfs/dbraw/zinc/97/03/30/1068970330.db2.gz BSDGXBXWKCFEJM-UHFFFAOYSA-N 1 0 458.562 4.342 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492586354 1069002678 /nfs/dbraw/zinc/00/26/78/1069002678.db2.gz DWMSAXRUOWHDDS-YADHBBJMSA-N 1 0 482.673 4.107 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300553581 1069006035 /nfs/dbraw/zinc/00/60/35/1069006035.db2.gz UUSJEEVDUWCNSZ-UKILVPOCSA-N 1 0 469.674 4.249 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1C[C@@H]1C ZINC001492570219 1069017587 /nfs/dbraw/zinc/01/75/87/1069017587.db2.gz UEBXLSNKSAWVCI-OALUTQOASA-N 1 0 451.537 4.001 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001492587044 1069018344 /nfs/dbraw/zinc/01/83/44/1069018344.db2.gz CHCLSUJWHCZMIP-UHFFFAOYSA-N 1 0 480.623 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300558200 1069020642 /nfs/dbraw/zinc/02/06/42/1069020642.db2.gz WKJDIKBREAVMBE-VXKWHMMOSA-N 1 0 499.700 4.161 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001492571904 1069021630 /nfs/dbraw/zinc/02/16/30/1069021630.db2.gz MMBKSMYRBGDDTC-RZUBCFFCSA-N 1 0 461.601 4.338 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCCOC(C)C ZINC001492587326 1069021701 /nfs/dbraw/zinc/02/17/01/1069021701.db2.gz MONRGJVPODDELE-HSZRJFAPSA-N 1 0 469.674 4.072 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001492572052 1069024896 /nfs/dbraw/zinc/02/48/96/1069024896.db2.gz QUZLRGIISRVAQO-OYRHEFFESA-N 1 0 482.673 4.144 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492572268 1069027222 /nfs/dbraw/zinc/02/72/22/1069027222.db2.gz YGRIPZWVBDTFDW-OAQYLSRUSA-N 1 0 482.673 4.479 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001492572462 1069029716 /nfs/dbraw/zinc/02/97/16/1069029716.db2.gz BUWODVYVFDRLKR-DENIHFKCSA-N 1 0 466.655 4.083 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[N@@H+](C)C(C)C ZINC001492589458 1069037776 /nfs/dbraw/zinc/03/77/76/1069037776.db2.gz UENJKWRYNQGAGD-UPVQGACJSA-N 1 0 496.700 4.353 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300563533 1069041184 /nfs/dbraw/zinc/04/11/84/1069041184.db2.gz RDZJXHLFKIFHJY-TZIWHRDSSA-N 1 0 495.590 4.157 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482082 1069050200 /nfs/dbraw/zinc/05/02/00/1069050200.db2.gz PUJYMLDHTVOWNH-FGZHOGPDSA-N 1 0 485.510 4.365 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001492573055 1069051058 /nfs/dbraw/zinc/05/10/58/1069051058.db2.gz NRYKCDHONISRJZ-MQSCRBSSSA-N 1 0 466.674 4.087 20 0 JIADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001354276742 1069051779 /nfs/dbraw/zinc/05/17/79/1069051779.db2.gz OOPNVHUEGPKWJO-CQSZACIVSA-N 1 0 451.792 4.085 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849486192 1069051946 /nfs/dbraw/zinc/05/19/46/1069051946.db2.gz JSSAYCFGKSNMIN-RRPNLBNLSA-N 1 0 482.632 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482607 1069051989 /nfs/dbraw/zinc/05/19/89/1069051989.db2.gz RWYAJEVUZJTIKJ-WUFINQPMSA-N 1 0 485.676 4.168 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 ZINC000849488639 1069056654 /nfs/dbraw/zinc/05/66/54/1069056654.db2.gz CYFZZLQLPUQTKR-MIZPHKNDSA-N 1 0 496.537 4.256 20 0 JIADRO COc1ccc(-c2nc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490682 1069058522 /nfs/dbraw/zinc/05/85/22/1069058522.db2.gz WCCDLXGQODWDPV-NHCUHLMSSA-N 1 0 453.612 4.313 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491766 1069060431 /nfs/dbraw/zinc/06/04/31/1069060431.db2.gz UDRRWBIDMSQAAO-FCHUYYIVSA-N 1 0 454.521 4.286 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493049 1069061544 /nfs/dbraw/zinc/06/15/44/1069061544.db2.gz ZINDZMOEHUCFMS-IRLDBZIGSA-N 1 0 470.520 4.371 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493855 1069063830 /nfs/dbraw/zinc/06/38/30/1069063830.db2.gz MODFMJKODUNMOL-WOJBJXKFSA-N 1 0 481.622 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849493964 1069063890 /nfs/dbraw/zinc/06/38/90/1069063890.db2.gz NUYRGUQXARKAHH-RTBURBONSA-N 1 0 460.504 4.077 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC[C@@H](SC)C2)n1CC[NH+]1CCCCCC1 ZINC001300568393 1069066665 /nfs/dbraw/zinc/06/66/65/1069066665.db2.gz SNGPPSONQKQRLE-JOCHJYFZSA-N 1 0 457.688 4.475 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849495568 1069067640 /nfs/dbraw/zinc/06/76/40/1069067640.db2.gz DAWWJIGPOXKCMH-YADHBBJMSA-N 1 0 459.432 4.188 20 0 JIADRO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849496356 1069067670 /nfs/dbraw/zinc/06/76/70/1069067670.db2.gz JWTFCLJFMIICHV-CTNGQTDRSA-N 1 0 460.022 4.008 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849495803 1069067771 /nfs/dbraw/zinc/06/77/71/1069067771.db2.gz FLQKQIKAXSSOLI-OBVSXPTNSA-N 1 0 468.486 4.260 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849500431 1069072065 /nfs/dbraw/zinc/07/20/65/1069072065.db2.gz PNOJXMLCZYNHSW-XZZVZQAVSA-N 1 0 473.621 4.364 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cn2)c1 ZINC000849502298 1069073941 /nfs/dbraw/zinc/07/39/41/1069073941.db2.gz ZPSDVIKKWHWUBF-RPWUZVMVSA-N 1 0 461.610 4.355 20 0 JIADRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502291 1069074022 /nfs/dbraw/zinc/07/40/22/1069074022.db2.gz ZPQABPQRQFELMZ-XZOQPEGZSA-N 1 0 475.641 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(I)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849502404 1069074647 /nfs/dbraw/zinc/07/46/47/1069074647.db2.gz ZZIQJBLDOMCOKC-HOTGVXAUSA-N 1 0 486.785 4.131 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503371 1069077695 /nfs/dbraw/zinc/07/76/95/1069077695.db2.gz IGUYVCHXOAJTDF-IEIRFRATSA-N 1 0 485.401 4.263 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503484 1069079528 /nfs/dbraw/zinc/07/95/28/1069079528.db2.gz YFPXPUCXTXLGJG-WUMKDDEVSA-N 1 0 468.642 4.441 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCSC1(C)C ZINC001300571438 1069080329 /nfs/dbraw/zinc/08/03/29/1069080329.db2.gz BXWOMMYGYZEBTM-OAQYLSRUSA-N 1 0 457.688 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849504354 1069080547 /nfs/dbraw/zinc/08/05/47/1069080547.db2.gz OQQBZYTVOTZNSY-RPBOFIJWSA-N 1 0 457.622 4.435 20 0 JIADRO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1F ZINC000849503895 1069081383 /nfs/dbraw/zinc/08/13/83/1069081383.db2.gz MWSWWVCLRJMETM-LEWJYISDSA-N 1 0 455.603 4.368 20 0 JIADRO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505032 1069085211 /nfs/dbraw/zinc/08/52/11/1069085211.db2.gz RDDAHGCVQMFKEA-DNQXCXABSA-N 1 0 465.642 4.244 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849505735 1069086325 /nfs/dbraw/zinc/08/63/25/1069086325.db2.gz JBCAPDAQNUIDTN-FTJBHMTQSA-N 1 0 465.686 4.317 20 0 JIADRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849507237 1069087229 /nfs/dbraw/zinc/08/72/29/1069087229.db2.gz PPUBVQMDQYZYNS-ZCYQVOJMSA-N 1 0 462.642 4.004 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849508183 1069089012 /nfs/dbraw/zinc/08/90/12/1069089012.db2.gz SQWWLOHDSHRDDC-GOTSBHOMSA-N 1 0 492.586 4.117 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510216 1069090685 /nfs/dbraw/zinc/09/06/85/1069090685.db2.gz PHRWHBAZMDBFSG-RTWAWAEBSA-N 1 0 459.432 4.192 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510278 1069090692 /nfs/dbraw/zinc/09/06/92/1069090692.db2.gz HZSYTQBKUSDMPS-IGKWTDBASA-N 1 0 465.642 4.053 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1CC(F)(F)C1 ZINC001300574000 1069091286 /nfs/dbraw/zinc/09/12/86/1069091286.db2.gz NXSUBNKULATEEV-UHFFFAOYSA-N 1 0 461.601 4.481 20 0 JIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849510874 1069095548 /nfs/dbraw/zinc/09/55/48/1069095548.db2.gz LXYIBBBHFGTZSB-PFBJBMPXSA-N 1 0 478.612 4.482 20 0 JIADRO Cc1nnc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513577 1069097893 /nfs/dbraw/zinc/09/78/93/1069097893.db2.gz CMRCMGWVQBWVAR-VQTJNVASSA-N 1 0 470.668 4.492 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514867 1069099986 /nfs/dbraw/zinc/09/99/86/1069099986.db2.gz AZNYZBBQQHQLFT-UXHICEINSA-N 1 0 462.063 4.079 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516689 1069104463 /nfs/dbraw/zinc/10/44/63/1069104463.db2.gz ABPCVSXYEXCAQT-FCHUYYIVSA-N 1 0 485.510 4.365 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518339 1069105182 /nfs/dbraw/zinc/10/51/82/1069105182.db2.gz GRBLSQVTMVUGPK-DNQXCXABSA-N 1 0 485.588 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518312 1069105220 /nfs/dbraw/zinc/10/52/20/1069105220.db2.gz NNOLDPJDCAHJPR-RBBKRZOGSA-N 1 0 472.033 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC(C)(C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300578486 1069106240 /nfs/dbraw/zinc/10/62/40/1069106240.db2.gz ICGNMMFHBYXRER-NRFANRHFSA-N 1 0 457.688 4.330 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)s2)c1 ZINC000504185588 1069106822 /nfs/dbraw/zinc/10/68/22/1069106822.db2.gz BTOYYDGVAPUMMW-QGZVFWFLSA-N 1 0 457.625 4.233 20 0 JIADRO COc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517872 1069106886 /nfs/dbraw/zinc/10/68/86/1069106886.db2.gz PMOJTXORLKZMIF-VWNXMTODSA-N 1 0 484.604 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849518817 1069108996 /nfs/dbraw/zinc/10/89/96/1069108996.db2.gz SJFAPCKDPGTHMI-RJGXRXQPSA-N 1 0 462.598 4.038 20 0 JIADRO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849518872 1069109197 /nfs/dbraw/zinc/10/91/97/1069109197.db2.gz HQVVSAHYEMJVSI-FGZHOGPDSA-N 1 0 466.607 4.462 20 0 JIADRO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849518882 1069109327 /nfs/dbraw/zinc/10/93/27/1069109327.db2.gz HQVVSAHYEMJVSI-YADHBBJMSA-N 1 0 466.607 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518720 1069110159 /nfs/dbraw/zinc/11/01/59/1069110159.db2.gz OVBDJBYOZHUJSR-SFTDATJTSA-N 1 0 451.596 4.187 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)s2)c1 ZINC000504192627 1069116371 /nfs/dbraw/zinc/11/63/71/1069116371.db2.gz YVBAOCGMTQXJCS-UHFFFAOYSA-N 1 0 465.623 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526337 1069121297 /nfs/dbraw/zinc/12/12/97/1069121297.db2.gz SDXAKISNQVBELQ-YADHBBJMSA-N 1 0 492.495 4.322 20 0 JIADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001354338043 1069121991 /nfs/dbraw/zinc/12/19/91/1069121991.db2.gz BHHMLSQHPADDEK-KNQAVFIVSA-N 1 0 457.571 4.197 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300583390 1069126317 /nfs/dbraw/zinc/12/63/17/1069126317.db2.gz PIQAKRKEXAYFDQ-NRFANRHFSA-N 1 0 450.612 4.325 20 0 JIADRO CCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527953 1069127551 /nfs/dbraw/zinc/12/75/51/1069127551.db2.gz XXCGDVMRWMCEGE-VTZPFEBOSA-N 1 0 467.564 4.157 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001354366267 1069142908 /nfs/dbraw/zinc/14/29/08/1069142908.db2.gz BVAWJYMZSCXFJA-PHIRODEFSA-N 1 0 463.666 4.215 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849535546 1069156056 /nfs/dbraw/zinc/15/60/56/1069156056.db2.gz UNHSIRJJSMVWIB-VXKWHMMOSA-N 1 0 475.622 4.182 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537861 1069160013 /nfs/dbraw/zinc/16/00/13/1069160013.db2.gz WEOWBVVANDPQGT-SMIHKQSGSA-N 1 0 496.453 4.251 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543803 1069177651 /nfs/dbraw/zinc/17/76/51/1069177651.db2.gz VWMVGYOCQCPOEB-BJKOFHAPSA-N 1 0 486.607 4.377 20 0 JIADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(C4CCCC4)c3)CC2)cc1OC ZINC001200653538 1069184188 /nfs/dbraw/zinc/18/41/88/1069184188.db2.gz CFLVVUYVGONBMD-UHFFFAOYSA-N 1 0 458.624 4.304 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849547721 1069185720 /nfs/dbraw/zinc/18/57/20/1069185720.db2.gz JQKDILNFRCMSOL-UXHICEINSA-N 1 0 454.962 4.108 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547943 1069185848 /nfs/dbraw/zinc/18/58/48/1069185848.db2.gz LIXCXESAYYMQBS-DNQXCXABSA-N 1 0 482.669 4.270 20 0 JIADRO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300600196 1069186012 /nfs/dbraw/zinc/18/60/12/1069186012.db2.gz VRAPZFOVWCVVHV-LADGPHEKSA-N 1 0 455.647 4.149 20 0 JIADRO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549008 1069187008 /nfs/dbraw/zinc/18/70/08/1069187008.db2.gz QAHINWMLFKSXJB-OFAXGOBFSA-N 1 0 475.475 4.382 20 0 JIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849550077 1069189393 /nfs/dbraw/zinc/18/93/93/1069189393.db2.gz BKERQMMFZPPEGE-SFTDATJTSA-N 1 0 460.557 4.095 20 0 JIADRO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552377 1069192301 /nfs/dbraw/zinc/19/23/01/1069192301.db2.gz FBNRWLWOUPOLPU-UNMCSNQZSA-N 1 0 482.968 4.326 20 0 JIADRO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000849552310 1069193516 /nfs/dbraw/zinc/19/35/16/1069193516.db2.gz NSWMSORHUFOWLA-IEXUWNMDSA-N 1 0 473.061 4.377 20 0 JIADRO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1C ZINC000849553317 1069194993 /nfs/dbraw/zinc/19/49/93/1069194993.db2.gz RELPGMXNOTWPEA-RTWAWAEBSA-N 1 0 499.457 4.344 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(OC)c1 ZINC000849553130 1069196088 /nfs/dbraw/zinc/19/60/88/1069196088.db2.gz LXHQEBXLTQYAGU-KIVTUJJHSA-N 1 0 483.012 4.032 20 0 JIADRO Cc1cc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554372 1069197183 /nfs/dbraw/zinc/19/71/83/1069197183.db2.gz MNGVJUHOUBFICE-PTLVVNQVSA-N 1 0 454.977 4.462 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCCC1 ZINC001300605497 1069199234 /nfs/dbraw/zinc/19/92/34/1069199234.db2.gz PBTBSHUKKATAKO-UHFFFAOYSA-N 1 0 457.663 4.139 20 0 JIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849555292 1069199727 /nfs/dbraw/zinc/19/97/27/1069199727.db2.gz YJHCDVAQQYOWSQ-VLCRHTCISA-N 1 0 451.640 4.415 20 0 JIADRO COc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300605690 1069199999 /nfs/dbraw/zinc/19/99/99/1069199999.db2.gz LJTZCJPFRKTMGU-UHFFFAOYSA-N 1 0 487.446 4.024 20 0 JIADRO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1 ZINC000849556686 1069204469 /nfs/dbraw/zinc/20/44/69/1069204469.db2.gz CZKNQWAASGBSCN-DHIUTWEWSA-N 1 0 452.624 4.288 20 0 JIADRO C[C@@H](NC1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC001200661174 1069205886 /nfs/dbraw/zinc/20/58/86/1069205886.db2.gz JTISAFVLAJMWTM-JOCHJYFZSA-N 1 0 451.611 4.277 20 0 JIADRO Cc1nc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558667 1069206216 /nfs/dbraw/zinc/20/62/16/1069206216.db2.gz OUGWIJSIZRGRFT-SFTDATJTSA-N 1 0 455.990 4.167 20 0 JIADRO COc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001300608772 1069208499 /nfs/dbraw/zinc/20/84/99/1069208499.db2.gz XQEZMMQBPLZGMB-UHFFFAOYSA-N 1 0 455.647 4.005 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849559694 1069209157 /nfs/dbraw/zinc/20/91/57/1069209157.db2.gz VYEOZLLVFJGTEU-JKSUJKDBSA-N 1 0 481.822 4.076 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849560514 1069209924 /nfs/dbraw/zinc/20/99/24/1069209924.db2.gz BEYSFKAEQFQCNL-SLFFLAALSA-N 1 0 465.425 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849565459 1069214280 /nfs/dbraw/zinc/21/42/80/1069214280.db2.gz TWNJILGXYHBJBQ-SXOMAYOGSA-N 1 0 457.622 4.487 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572366 1069222653 /nfs/dbraw/zinc/22/26/53/1069222653.db2.gz OGARFEFORJMIAK-MSOLQXFVSA-N 1 0 487.364 4.332 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572468 1069222926 /nfs/dbraw/zinc/22/29/26/1069222926.db2.gz MWFLOHVBPFSIAP-OALUTQOASA-N 1 0 460.504 4.077 20 0 JIADRO CCc1noc(-c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571881 1069223821 /nfs/dbraw/zinc/22/38/21/1069223821.db2.gz JBENINGBMIWTDP-ZWKOTPCHSA-N 1 0 456.978 4.139 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849573920 1069225127 /nfs/dbraw/zinc/22/51/27/1069225127.db2.gz VBWBCNMWNZFDHA-RRPNLBNLSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@@H](c2cnn(C)c2)C1 ZINC000849575428 1069226180 /nfs/dbraw/zinc/22/61/80/1069226180.db2.gz DARQMJMZNHKQJN-NHCUHLMSSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575268 1069227298 /nfs/dbraw/zinc/22/72/98/1069227298.db2.gz ZSSXPULVUOIZDH-BJKOFHAPSA-N 1 0 492.495 4.322 20 0 JIADRO CCC(CC)(CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576360 1069228176 /nfs/dbraw/zinc/22/81/76/1069228176.db2.gz CUMBHVIUBCOOTD-XZOQPEGZSA-N 1 0 470.658 4.125 20 0 JIADRO CCCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580941 1069232504 /nfs/dbraw/zinc/23/25/04/1069232504.db2.gz CZMKKGYOYQBHNL-VXKWHMMOSA-N 1 0 452.578 4.150 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849582545 1069233766 /nfs/dbraw/zinc/23/37/66/1069233766.db2.gz NUNIOPDAYRSJOA-VXKWHMMOSA-N 1 0 478.559 4.075 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001354462366 1069236891 /nfs/dbraw/zinc/23/68/91/1069236891.db2.gz DYTOKMGQSCASDS-DEOSSOPVSA-N 1 0 451.611 4.118 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586744 1069238666 /nfs/dbraw/zinc/23/86/66/1069238666.db2.gz FTBOXUGEVMFMHR-DLBZAZTESA-N 1 0 461.994 4.242 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300619870 1069239973 /nfs/dbraw/zinc/23/99/73/1069239973.db2.gz CEIDYQJBOSKBCO-NRFANRHFSA-N 1 0 493.656 4.017 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590946 1069243019 /nfs/dbraw/zinc/24/30/19/1069243019.db2.gz FPPWRORWWVXOMP-FKBYEOEOSA-N 1 0 464.532 4.400 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849591505 1069243516 /nfs/dbraw/zinc/24/35/16/1069243516.db2.gz JQFYJLIIYZCNCU-RTWAWAEBSA-N 1 0 458.031 4.327 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594359 1069246021 /nfs/dbraw/zinc/24/60/21/1069246021.db2.gz XARMQVXUCDBPIJ-PMACEKPBSA-N 1 0 497.993 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](c2cnn(C)c2)C1 ZINC000849594350 1069246218 /nfs/dbraw/zinc/24/62/18/1069246218.db2.gz WXXULTGLTZXFNH-RTBURBONSA-N 1 0 456.388 4.183 20 0 JIADRO COC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595213 1069246949 /nfs/dbraw/zinc/24/69/49/1069246949.db2.gz WQTOCMRXSHKEQH-ADOAOUCYSA-N 1 0 452.643 4.093 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849595545 1069247153 /nfs/dbraw/zinc/24/71/53/1069247153.db2.gz YHONFLZPJBWGDG-DNQXCXABSA-N 1 0 495.668 4.238 20 0 JIADRO COCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000849594868 1069248047 /nfs/dbraw/zinc/24/80/47/1069248047.db2.gz YVKQQQQSARFOEA-DXIQSLLYSA-N 1 0 467.441 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596089 1069249445 /nfs/dbraw/zinc/24/94/45/1069249445.db2.gz MVCHGNAMFBGFGT-CLJLJLNGSA-N 1 0 483.620 4.180 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849595695 1069251256 /nfs/dbraw/zinc/25/12/56/1069251256.db2.gz IRBJELHEIRENDY-IAOVAPTHSA-N 1 0 457.928 4.179 20 0 JIADRO CC[C@H](C)n1c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599096 1069254842 /nfs/dbraw/zinc/25/48/42/1069254842.db2.gz KQTDMVGOCBDXOG-BMGDILEWSA-N 1 0 462.520 4.434 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300625183 1069256064 /nfs/dbraw/zinc/25/60/64/1069256064.db2.gz DHYNIILWTOKLCC-FCHUYYIVSA-N 1 0 455.647 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849599819 1069257156 /nfs/dbraw/zinc/25/71/56/1069257156.db2.gz DDQOHZFUDQBQQN-ISJGIBHGSA-N 1 0 495.668 4.055 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000849604314 1069261668 /nfs/dbraw/zinc/26/16/68/1069261668.db2.gz CNYQJKQLQAMUAI-NHCUHLMSSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606433 1069262670 /nfs/dbraw/zinc/26/26/70/1069262670.db2.gz PPKPUTDRZCOLHA-IZZNHLLZSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849607423 1069263596 /nfs/dbraw/zinc/26/35/96/1069263596.db2.gz VOOQZSSUBQASOV-DXIQSLLYSA-N 1 0 454.018 4.042 20 0 JIADRO CCCCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849607868 1069265960 /nfs/dbraw/zinc/26/59/60/1069265960.db2.gz ZKIYQBQUNMSSHU-RTWAWAEBSA-N 1 0 453.612 4.397 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529719 1069304805 /nfs/dbraw/zinc/30/48/05/1069304805.db2.gz OTQGVQJACCYVFF-YKSBVNFPSA-N 1 0 451.567 4.037 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300640586 1069306541 /nfs/dbraw/zinc/30/65/41/1069306541.db2.gz PZMRVQHFVZAZBT-OALUTQOASA-N 1 0 459.660 4.070 20 0 JIADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000020476725 527312325 /nfs/dbraw/zinc/31/23/25/527312325.db2.gz FRJVRTYTKCBNEA-UHFFFAOYSA-N 1 0 475.408 4.008 20 0 JIADRO FC(F)(F)[C@H]1N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388217 718814404 /nfs/dbraw/zinc/81/44/04/718814404.db2.gz NKONAAJUAFDUAC-FQEVSTJZSA-N 1 0 465.951 4.199 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164420318 718891510 /nfs/dbraw/zinc/89/15/10/718891510.db2.gz UDEZSSNQZNVIKW-IBGZPJMESA-N 1 0 464.944 4.390 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164617170 719008091 /nfs/dbraw/zinc/00/80/91/719008091.db2.gz MRFPQOHNPIJRIM-KSFYIVLOSA-N 1 0 482.934 4.117 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164618874 719008351 /nfs/dbraw/zinc/00/83/51/719008351.db2.gz UGYDJMKZZUYQAU-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164617862 719011898 /nfs/dbraw/zinc/01/18/98/719011898.db2.gz QGJDYGAQJUPBAV-LAUBAEHRSA-N 1 0 453.961 4.004 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164613872 719011974 /nfs/dbraw/zinc/01/19/74/719011974.db2.gz AEAYTRXTNCDRLH-GCJKJVERSA-N 1 0 453.961 4.307 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613969 719017336 /nfs/dbraw/zinc/01/73/36/719017336.db2.gz AUOPVEVOCXJYHI-HJNYFJLDSA-N 1 0 491.661 4.074 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164615527 719019808 /nfs/dbraw/zinc/01/98/08/719019808.db2.gz IOUMASABRINXKS-GKCIPKSASA-N 1 0 472.923 4.225 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164619388 719020107 /nfs/dbraw/zinc/02/01/07/719020107.db2.gz VWPVMYBPYSVLJF-OAUYIBNBSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cccc4c(Cl)ncnc43)CC2)CC1 ZINC001164618122 719032904 /nfs/dbraw/zinc/03/29/04/719032904.db2.gz SKXKRXIVPYKDEK-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC2)CC1 ZINC001164616427 719033409 /nfs/dbraw/zinc/03/34/09/719033409.db2.gz BQCNMZRPXKCREJ-UHFFFAOYSA-N 1 0 467.595 4.104 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2c1C ZINC001164637517 719267046 /nfs/dbraw/zinc/26/70/46/719267046.db2.gz LJLIKNRRMKTEAR-UHFFFAOYSA-N 1 0 490.637 4.056 20 0 JIADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164664635 719359418 /nfs/dbraw/zinc/35/94/18/719359418.db2.gz PZWUNPGWHICAKS-UHFFFAOYSA-N 1 0 475.662 4.184 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681666 719655072 /nfs/dbraw/zinc/65/50/72/719655072.db2.gz PQUKRGDDPSEXHG-FQEVSTJZSA-N 1 0 499.055 4.005 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(=O)OC(C)(C)C)ccn3)CC2)c2ccccc21 ZINC001164679989 719660403 /nfs/dbraw/zinc/66/04/03/719660403.db2.gz BUFFGDAKANPCGS-JOCHJYFZSA-N 1 0 492.664 4.130 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc4c3CCC4)CC2)c2ccccc21 ZINC001164680358 719662139 /nfs/dbraw/zinc/66/21/39/719662139.db2.gz FZSPNONIOBVAJE-LJQANCHMSA-N 1 0 467.057 4.317 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4ccccc4nc3Cl)CC2)c2ccccc21 ZINC001164681786 719665174 /nfs/dbraw/zinc/66/51/74/719665174.db2.gz QWWBAVOUNWASFP-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO CCOc1ccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681236 719671317 /nfs/dbraw/zinc/67/13/17/719671317.db2.gz KSPZXSMVVFEWTB-OAQYLSRUSA-N 1 0 487.648 4.122 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 ZINC001164685866 719677895 /nfs/dbraw/zinc/67/78/95/719677895.db2.gz WEDNTWBIFGAWIW-HSZRJFAPSA-N 1 0 469.633 4.237 20 0 JIADRO COc1ccc(-c2cc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)cc1 ZINC001164681078 719678532 /nfs/dbraw/zinc/67/85/32/719678532.db2.gz JHRDAKYAJJQATI-HSZRJFAPSA-N 1 0 499.659 4.246 20 0 JIADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)(C)C)n1 ZINC001164686844 719678709 /nfs/dbraw/zinc/67/87/09/719678709.db2.gz XRSILDILUGFSDU-NRFANRHFSA-N 1 0 463.670 4.176 20 0 JIADRO COc1cccc2c1ccnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679980 719679360 /nfs/dbraw/zinc/67/93/60/719679360.db2.gz ACCSBTJUAMYSQM-NRFANRHFSA-N 1 0 472.633 4.337 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(=O)Nc4nncs4)cc2Cl)CC3)cs1 ZINC001164691234 719814569 /nfs/dbraw/zinc/81/45/69/719814569.db2.gz BJSXYEVXWJCVON-UHFFFAOYSA-N 1 0 490.058 4.239 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696253 719893862 /nfs/dbraw/zinc/89/38/62/719893862.db2.gz DTAVZWRKXFLMSP-UHFFFAOYSA-N 1 0 450.004 4.153 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164719656 720116451 /nfs/dbraw/zinc/11/64/51/720116451.db2.gz ZSSKWTQFDHALND-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164714893 720117054 /nfs/dbraw/zinc/11/70/54/720117054.db2.gz DJQNPYMHAIXKSC-FQEVSTJZSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712724 720139048 /nfs/dbraw/zinc/13/90/48/720139048.db2.gz OQQMJQCXHMOJFE-JWQCQUIFSA-N 1 0 478.637 4.041 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712729 720139233 /nfs/dbraw/zinc/13/92/33/720139233.db2.gz OQQMJQCXHMOJFE-RPBOFIJWSA-N 1 0 478.637 4.041 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164713594 720143344 /nfs/dbraw/zinc/14/33/44/720143344.db2.gz SKDSWLSJBUOHNS-LJQANCHMSA-N 1 0 477.987 4.455 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164710784 720148883 /nfs/dbraw/zinc/14/88/83/720148883.db2.gz CNYXNICFKCEWMS-FQEVSTJZSA-N 1 0 465.548 4.324 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815647 720170393 /nfs/dbraw/zinc/17/03/93/720170393.db2.gz ISDFARGWWSPNBS-KMRXNPHXSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819511 720170881 /nfs/dbraw/zinc/17/08/81/720170881.db2.gz XPAPONGHJQPAFB-CPJSRVTESA-N 1 0 455.002 4.172 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816355 720172985 /nfs/dbraw/zinc/17/29/85/720172985.db2.gz LAROUKDEAJSMPG-HRAATJIYSA-N 1 0 452.933 4.120 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CCC2 ZINC001164814088 720220874 /nfs/dbraw/zinc/22/08/74/720220874.db2.gz SRMHMAFOJTUXNL-UHFFFAOYSA-N 1 0 461.944 4.240 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164825211 720305962 /nfs/dbraw/zinc/30/59/62/720305962.db2.gz STYNILUQDQWCRL-OALUTQOASA-N 1 0 467.664 4.331 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164826633 720306783 /nfs/dbraw/zinc/30/67/83/720306783.db2.gz WCCZQGITHRCGNG-FCHUYYIVSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001164819983 720314905 /nfs/dbraw/zinc/31/49/05/720314905.db2.gz FUCVWLZRKQSXKB-RPBOFIJWSA-N 1 0 482.632 4.117 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164828969 720327548 /nfs/dbraw/zinc/32/75/48/720327548.db2.gz KYNRQGYDEVKZKH-PMACEKPBSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001164828495 720331758 /nfs/dbraw/zinc/33/17/58/720331758.db2.gz JWMMGXWOIJDYME-IZZNHLLZSA-N 1 0 490.648 4.096 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164831188 720340785 /nfs/dbraw/zinc/34/07/85/720340785.db2.gz XZNPYTDXSHSWSG-FCHUYYIVSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164827449 720341133 /nfs/dbraw/zinc/34/11/33/720341133.db2.gz LNLFYQISCUUQOF-MOPGFXCFSA-N 1 0 496.027 4.315 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001164824237 720345439 /nfs/dbraw/zinc/34/54/39/720345439.db2.gz HRSQCCMDIYMUHK-CLJLJLNGSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164822716 720347884 /nfs/dbraw/zinc/34/78/84/720347884.db2.gz DUCUPZAKVHFSRN-FCHUYYIVSA-N 1 0 489.998 4.253 20 0 JIADRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164828371 720350461 /nfs/dbraw/zinc/35/04/61/720350461.db2.gz ONEHYNJFLDDTTK-JWQCQUIFSA-N 1 0 482.072 4.249 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825037 720352712 /nfs/dbraw/zinc/35/27/12/720352712.db2.gz INDGRBRKTOLPAS-RTWAWAEBSA-N 1 0 470.017 4.142 20 0 JIADRO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820396 720388227 /nfs/dbraw/zinc/38/82/27/720388227.db2.gz AOAPINLKRIEZRL-ZWEKWIFMSA-N 1 0 476.646 4.358 20 0 JIADRO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734822 720438355 /nfs/dbraw/zinc/43/83/55/720438355.db2.gz UZDSJTGWVYMDEU-FGZHOGPDSA-N 1 0 474.678 4.414 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725715 720496351 /nfs/dbraw/zinc/49/63/51/720496351.db2.gz JWQVEDKHJVZWKQ-FZBZCGEPSA-N 1 0 468.617 4.492 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]21 ZINC001164833671 720512796 /nfs/dbraw/zinc/51/27/96/720512796.db2.gz DMAIRODKZPGGGR-UWVAXJGDSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840677 720549053 /nfs/dbraw/zinc/54/90/53/720549053.db2.gz SONAVGFTIOMEST-FDFHNCONSA-N 1 0 467.017 4.283 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836718 720579722 /nfs/dbraw/zinc/57/97/22/720579722.db2.gz GPIYRUCKXLSWTF-ACIOBRDBSA-N 1 0 451.018 4.295 20 0 JIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736282 720589403 /nfs/dbraw/zinc/58/94/03/720589403.db2.gz GPDTWPPAXYPBOF-UHFFFAOYSA-N 1 0 487.677 4.275 20 0 JIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)o2)cc1 ZINC001164835606 720609390 /nfs/dbraw/zinc/60/93/90/720609390.db2.gz BSPJMYBXSOEYPO-YPAWHYETSA-N 1 0 457.582 4.168 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838308 720631602 /nfs/dbraw/zinc/63/16/02/720631602.db2.gz KSIXHYILCADDMI-JAXLGGSGSA-N 1 0 459.623 4.328 20 0 JIADRO COC(=O)c1cc2c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(Cl)cc-2n1 ZINC001164837681 720703541 /nfs/dbraw/zinc/70/35/41/720703541.db2.gz GMFJPBAKQZDEKN-GOSISDBHSA-N 1 0 468.985 4.263 20 0 JIADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737925 720717954 /nfs/dbraw/zinc/71/79/54/720717954.db2.gz HTQJQSBIQFSEMS-VQTJNVASSA-N 1 0 458.953 4.082 20 0 JIADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737922 720718458 /nfs/dbraw/zinc/71/84/58/720718458.db2.gz HTQJQSBIQFSEMS-UXHICEINSA-N 1 0 458.953 4.082 20 0 JIADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744291 720719408 /nfs/dbraw/zinc/71/94/08/720719408.db2.gz ZBJSZYOQGAOLQF-WOJBJXKFSA-N 1 0 458.953 4.082 20 0 JIADRO COC(=O)c1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c2ccccc2c1OC ZINC001164837639 720720310 /nfs/dbraw/zinc/72/03/10/720720310.db2.gz FMLIPNFCQBPSOG-NRFANRHFSA-N 1 0 475.589 4.290 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164840909 720723086 /nfs/dbraw/zinc/72/30/86/720723086.db2.gz SHKHUWAASXHOEZ-MHZLTWQESA-N 1 0 499.659 4.240 20 0 JIADRO c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164839026 720739276 /nfs/dbraw/zinc/73/92/76/720739276.db2.gz ZXGNSHDWRKNVIN-UHFFFAOYSA-N 1 0 491.709 4.415 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)nc(Cl)c2c1 ZINC001164841957 720742314 /nfs/dbraw/zinc/74/23/14/720742314.db2.gz BBTKLLFATXVYAR-UHFFFAOYSA-N 1 0 499.928 4.325 20 0 JIADRO FC(F)(N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)C1(c2ccnc(Cl)c2)CC1 ZINC001164845182 720743240 /nfs/dbraw/zinc/74/32/40/720743240.db2.gz WUPGMFJFKJDQKR-UHFFFAOYSA-N 1 0 470.955 4.212 20 0 JIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745294 720763207 /nfs/dbraw/zinc/76/32/07/720763207.db2.gz VACMHRAMHGTWIO-DLBZAZTESA-N 1 0 464.620 4.169 20 0 JIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746598 720836923 /nfs/dbraw/zinc/83/69/23/720836923.db2.gz PCTXQJILHJLBKM-NJDAHSKKSA-N 1 0 499.997 4.313 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]2C1 ZINC001164852326 720844568 /nfs/dbraw/zinc/84/45/68/720844568.db2.gz KBSCTUAPRPVITE-FPOVZHCZSA-N 1 0 451.945 4.120 20 0 JIADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745256 720847748 /nfs/dbraw/zinc/84/77/48/720847748.db2.gz NBZMFKSTKZZRPB-POGFHVCPSA-N 1 0 483.595 4.407 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCCCC3 ZINC001164747532 720847981 /nfs/dbraw/zinc/84/79/81/720847981.db2.gz RECMZUYPAJVMEP-KCZVDYSFSA-N 1 0 477.682 4.240 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741302 720849076 /nfs/dbraw/zinc/84/90/76/720849076.db2.gz DXFVRIXWGAPAMB-IEIRFRATSA-N 1 0 499.997 4.313 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(SCc5ccccc5)ccn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740559 720850852 /nfs/dbraw/zinc/85/08/52/720850852.db2.gz CTOFPWRKVKJPGK-JBRSBNLGSA-N 1 0 460.651 4.345 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748122 720853650 /nfs/dbraw/zinc/85/36/50/720853650.db2.gz KHOJXJCFKFNCLA-LVCYWYKZSA-N 1 0 496.084 4.318 20 0 JIADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747028 720855966 /nfs/dbraw/zinc/85/59/66/720855966.db2.gz HMFGEIPEUOMPJO-QIGHUWCUSA-N 1 0 492.071 4.309 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744663 720859032 /nfs/dbraw/zinc/85/90/32/720859032.db2.gz CDKFYCZGECMEKT-BHIFYINESA-N 1 0 494.043 4.456 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746823 720862025 /nfs/dbraw/zinc/86/20/25/720862025.db2.gz GPSCXHPMSMXWNG-LVCYWYKZSA-N 1 0 470.980 4.007 20 0 JIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753936 720870939 /nfs/dbraw/zinc/87/09/39/720870939.db2.gz QKQNPSCKXAOPGI-AVRDEDQJSA-N 1 0 498.405 4.478 20 0 JIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747804 720871801 /nfs/dbraw/zinc/87/18/01/720871801.db2.gz BRIPXNCLNYNQHL-XMSQKQJNSA-N 1 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JIADRO c1ccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164755311 720880706 /nfs/dbraw/zinc/88/07/06/720880706.db2.gz WLEHLHKFICLPFT-YWEHKCAJSA-N 1 0 471.605 4.419 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754856 720881551 /nfs/dbraw/zinc/88/15/51/720881551.db2.gz UAHOLBIKFWFWKV-OFNKIYASSA-N 1 0 478.971 4.310 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CSC2 ZINC001164747382 720881937 /nfs/dbraw/zinc/88/19/37/720881937.db2.gz BIDVHOUGYNZMRP-DVECYGJZSA-N 1 0 472.058 4.027 20 0 JIADRO Clc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757452 720883297 /nfs/dbraw/zinc/88/32/97/720883297.db2.gz UZPKFYPMFGLKAB-KCWPFWIISA-N 1 0 491.039 4.342 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164757140 720884822 /nfs/dbraw/zinc/88/48/22/720884822.db2.gz SWUUAKTYQJTABU-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO 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4.293 20 0 JIADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165026750 721832248 /nfs/dbraw/zinc/83/22/48/721832248.db2.gz PZAXOZNFQFCDEN-VDGAXYAQSA-N 1 0 499.027 4.205 20 0 JIADRO O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001165022536 721833306 /nfs/dbraw/zinc/83/33/06/721833306.db2.gz PAVPWLIDMOCDKM-UHFFFAOYSA-N 1 0 462.903 4.286 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nc2c1 ZINC001165023354 721838460 /nfs/dbraw/zinc/83/84/60/721838460.db2.gz VOHQLMDJPRBQPO-UHFFFAOYSA-N 1 0 484.984 4.188 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001165021286 721839130 /nfs/dbraw/zinc/83/91/30/721839130.db2.gz KUCJTNFXEUTRDV-UHFFFAOYSA-N 1 0 453.974 4.310 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc(Cl)c(OC)cc32)CC1 ZINC001165020488 721841356 /nfs/dbraw/zinc/84/13/56/721841356.db2.gz FCZSTWODORCLLO-UHFFFAOYSA-N 1 0 456.974 4.410 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)CC1 ZINC001165023151 721843338 /nfs/dbraw/zinc/84/33/38/721843338.db2.gz XVVPVWRWEVWPGV-UHFFFAOYSA-N 1 0 496.612 4.423 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C2CCCC2)CC1 ZINC001165030445 721853094 /nfs/dbraw/zinc/85/30/94/721853094.db2.gz XATFBLYDKAVMKK-UHFFFAOYSA-N 1 0 450.917 4.097 20 0 JIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164927058 721867098 /nfs/dbraw/zinc/86/70/98/721867098.db2.gz UMSVYGWUQBJHLQ-JKSUJKDBSA-N 1 0 464.775 4.350 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1Cl ZINC001164938924 721923553 /nfs/dbraw/zinc/92/35/53/721923553.db2.gz BVFXWDMRMPMXGL-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C(=O)N4CCC(C)CC4)CC3)C2)cc1 ZINC001164940661 721930163 /nfs/dbraw/zinc/93/01/63/721930163.db2.gz WGEMQPAAKPBGHC-UHFFFAOYSA-N 1 0 462.638 4.134 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)CC3)C2)cc1 ZINC001164940646 721932482 /nfs/dbraw/zinc/93/24/82/721932482.db2.gz VIYABYXHIGLJRS-UHFFFAOYSA-N 1 0 455.606 4.207 20 0 JIADRO C[NH+](C)CC1CCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001165042913 721946600 /nfs/dbraw/zinc/94/66/00/721946600.db2.gz XXEVMSJZZGMLSK-QFIPXVFZSA-N 1 0 452.405 4.195 20 0 JIADRO C[NH+](C)CC1CCN(c2ncnc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)CC1 ZINC001165044716 721948444 /nfs/dbraw/zinc/94/84/44/721948444.db2.gz HNZAXMJIFIDDPU-UHFFFAOYSA-N 1 0 470.614 4.311 20 0 JIADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]12 ZINC001164944942 721968274 /nfs/dbraw/zinc/96/82/74/721968274.db2.gz KRZQEAWFFQIJKP-ILBGXUMGSA-N 1 0 486.994 4.426 20 0 JIADRO Cc1cc(CN(C)c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)n(C)n1 ZINC001165051776 721990107 /nfs/dbraw/zinc/99/01/07/721990107.db2.gz ZAOJHWCLZPBKMX-UHFFFAOYSA-N 1 0 452.002 4.435 20 0 JIADRO COc1cc2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1OC ZINC001164953852 722015691 /nfs/dbraw/zinc/01/56/91/722015691.db2.gz ZQVSYXSPRBQCFP-UHFFFAOYSA-N 1 0 453.974 4.188 20 0 JIADRO Clc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964235 722055639 /nfs/dbraw/zinc/05/56/39/722055639.db2.gz TXKQSQNGHSYZAJ-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962199 722060817 /nfs/dbraw/zinc/06/08/17/722060817.db2.gz POVZSVPKNCTCJQ-UHFFFAOYSA-N 1 0 467.976 4.450 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001164971290 722090850 /nfs/dbraw/zinc/09/08/50/722090850.db2.gz BAIVPGPDOQPGIC-MDNUFGMLSA-N 1 0 454.640 4.018 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981025 722108280 /nfs/dbraw/zinc/10/82/80/722108280.db2.gz SBUHTLXPNBMKPC-OFNKIYASSA-N 1 0 485.966 4.464 20 0 JIADRO c1ccc(-c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc3ccccc32)cc1 ZINC001164982562 722114421 /nfs/dbraw/zinc/11/44/21/722114421.db2.gz XEFILISJBJVRDC-ZEQKJWHPSA-N 1 0 451.574 4.419 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164977373 722114515 /nfs/dbraw/zinc/11/45/15/722114515.db2.gz MTAZDFIJTQXXQM-OXQOHEQNSA-N 1 0 477.918 4.090 20 0 JIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164975189 722142303 /nfs/dbraw/zinc/14/23/03/722142303.db2.gz FIKLQADGDMLVGN-ZJSXRUAMSA-N 1 0 477.996 4.110 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cs1 ZINC001164975082 722143042 /nfs/dbraw/zinc/14/30/42/722143042.db2.gz DUJKHPQLFLEAJV-RDPSFJRHSA-N 1 0 457.603 4.481 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164981538 722143046 /nfs/dbraw/zinc/14/30/46/722143046.db2.gz PGFWIHUMBWGVAC-GCJKJVERSA-N 1 0 469.948 4.184 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981505 722147118 /nfs/dbraw/zinc/14/71/18/722147118.db2.gz PDPPHYSARDVLEK-CVDCTZTESA-N 1 0 453.949 4.058 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981132 722147827 /nfs/dbraw/zinc/14/78/27/722147827.db2.gz OOUZXAFDGLAHIB-XRODADMRSA-N 1 0 483.975 4.047 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CCC2 ZINC001165004951 722257364 /nfs/dbraw/zinc/25/73/64/722257364.db2.gz YKYNNOXCNLUUPL-UHFFFAOYSA-N 1 0 481.044 4.361 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(NC(=S)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC001200698092 1069316411 /nfs/dbraw/zinc/31/64/11/1069316411.db2.gz JNVUBJGFPRBYLU-UHFFFAOYSA-N 1 0 454.587 4.115 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300646185 1069319446 /nfs/dbraw/zinc/31/94/46/1069319446.db2.gz FLXUUHLOXXABIS-CUNXSJBXSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@](C)(O)C(C)C ZINC001300650502 1069331979 /nfs/dbraw/zinc/33/19/79/1069331979.db2.gz YOVJHQYBAGERBN-MVOZIGHISA-N 1 0 499.700 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300651174 1069334598 /nfs/dbraw/zinc/33/45/98/1069334598.db2.gz SUQMFQGNAZOIMZ-WOJBJXKFSA-N 1 0 453.587 4.388 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1cccs1 ZINC001300653719 1069343873 /nfs/dbraw/zinc/34/38/73/1069343873.db2.gz YZZYRALQEQEPEB-UHFFFAOYSA-N 1 0 455.628 4.090 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(C)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300659732 1069365451 /nfs/dbraw/zinc/36/54/51/1069365451.db2.gz BLINHKJHABFTRI-UHFFFAOYSA-N 1 0 455.628 4.084 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C2CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300659918 1069366622 /nfs/dbraw/zinc/36/66/22/1069366622.db2.gz AKWRPSNWUVNQFS-UHFFFAOYSA-N 1 0 459.660 4.067 20 0 JIADRO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001200716006 1069374632 /nfs/dbraw/zinc/37/46/32/1069374632.db2.gz YPOJMNIJQQSVFF-CQSZACIVSA-N 1 0 482.366 4.135 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300668888 1069396154 /nfs/dbraw/zinc/39/61/54/1069396154.db2.gz HJVTWNBUULAXMS-RTWAWAEBSA-N 1 0 486.730 4.230 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300669504 1069397699 /nfs/dbraw/zinc/39/76/99/1069397699.db2.gz LSYUYQMJALBSFQ-RTBURBONSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001300670772 1069404044 /nfs/dbraw/zinc/40/40/44/1069404044.db2.gz XFFZSXIAOKNFEF-QHAWAJNXSA-N 1 0 473.687 4.051 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001354614745 1069405430 /nfs/dbraw/zinc/40/54/30/1069405430.db2.gz OMUCJNOTGZWIHR-UHFFFAOYSA-N 1 0 453.514 4.401 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300671986 1069407910 /nfs/dbraw/zinc/40/79/10/1069407910.db2.gz FLYGSIYDHKVQKF-AXHZCLLHSA-N 1 0 475.728 4.499 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300672262 1069408575 /nfs/dbraw/zinc/40/85/75/1069408575.db2.gz HSASHKTZJDNBHC-OAQYLSRUSA-N 1 0 487.714 4.420 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(OC(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001300675246 1069417702 /nfs/dbraw/zinc/41/77/02/1069417702.db2.gz DUXATYUVOFZAOG-UHFFFAOYSA-N 1 0 491.727 4.022 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001359347264 1069419607 /nfs/dbraw/zinc/41/96/07/1069419607.db2.gz HSWXKBDGOXJWBV-YBQMXPOVSA-N 1 0 466.674 4.058 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3c(c(Br)c2)OCO3)c2cccs2)CC1 ZINC001354632515 1069432559 /nfs/dbraw/zinc/43/25/59/1069432559.db2.gz HQNVLLBDFMYMAN-INIZCTEOSA-N 1 0 451.386 4.442 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359350952 1069431124 /nfs/dbraw/zinc/43/11/24/1069431124.db2.gz 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CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001359629397 1070141096 /nfs/dbraw/zinc/14/10/96/1070141096.db2.gz UUYSYRVKLPDZID-WOJBJXKFSA-N 1 0 474.719 4.220 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001359634822 1070159784 /nfs/dbraw/zinc/15/97/84/1070159784.db2.gz FXEPUWOICQSAGM-UHFFFAOYSA-N 1 0 469.461 4.048 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001359658476 1070257079 /nfs/dbraw/zinc/25/70/79/1070257079.db2.gz CGNVYFHCIVRYMT-LZJOCLMNSA-N 1 0 482.069 4.425 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001359659180 1070262911 /nfs/dbraw/zinc/26/29/11/1070262911.db2.gz REWOXYZNOCCVTG-LEWJYISDSA-N 1 0 491.080 4.134 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001359659425 1070265956 /nfs/dbraw/zinc/26/59/56/1070265956.db2.gz WFPIGKDCWXKTRD-IEBWSBKVSA-N 1 0 458.994 4.141 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359659601 1070266843 /nfs/dbraw/zinc/26/68/43/1070266843.db2.gz ZHTDNARYDUMODT-RTBURBONSA-N 1 0 471.955 4.486 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660075 1070269634 /nfs/dbraw/zinc/26/96/34/1070269634.db2.gz JIWFLYXNFUZBEB-XPNTWCBSSA-N 1 0 497.688 4.200 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001359660721 1070273536 /nfs/dbraw/zinc/27/35/36/1070273536.db2.gz VZGWXGJYDLZMGS-WOJBJXKFSA-N 1 0 466.552 4.008 20 0 JIADRO CC(C)[C@H](Cn1c(C2CC2)nnc1N1CC[NH+](CCc2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001359662206 1070281586 /nfs/dbraw/zinc/28/15/86/1070281586.db2.gz VJUFQMWRAXPODY-NRFANRHFSA-N 1 0 488.702 4.131 20 0 JIADRO CC(C)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)[NH+]1CCCC1 ZINC001359662360 1070283004 /nfs/dbraw/zinc/28/30/04/1070283004.db2.gz YINFAYFMOXEEFE-FQEVSTJZSA-N 1 0 451.619 4.197 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359664387 1070292382 /nfs/dbraw/zinc/29/23/82/1070292382.db2.gz DUSOQJVEEDLXBK-QHCPKHFHSA-N 1 0 496.059 4.113 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359665299 1070295281 /nfs/dbraw/zinc/29/52/81/1070295281.db2.gz WXLZUPPWIOABOW-RTWAWAEBSA-N 1 0 488.702 4.154 20 0 JIADRO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359667071 1070304460 /nfs/dbraw/zinc/30/44/60/1070304460.db2.gz KQALBEMANLXLNX-FGZHOGPDSA-N 1 0 462.038 4.419 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)C2)no1 ZINC001359670778 1070314258 /nfs/dbraw/zinc/31/42/58/1070314258.db2.gz BGDPPSNGAGZJCN-MHECFPHRSA-N 1 0 475.707 4.194 20 0 JIADRO CC(C)c1nc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)no1 ZINC001359670922 1070314709 /nfs/dbraw/zinc/31/47/09/1070314709.db2.gz DXAJUIXPHDYMIS-QZTJIDSGSA-N 1 0 473.647 4.024 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC001359674830 1070326631 /nfs/dbraw/zinc/32/66/31/1070326631.db2.gz XIAYSXLGJSYLIK-RBBKRZOGSA-N 1 0 455.651 4.334 20 0 JIADRO CC(C)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359678442 1070333024 /nfs/dbraw/zinc/33/30/24/1070333024.db2.gz FWKSBXNCXINVFL-NRFANRHFSA-N 1 0 478.607 4.387 20 0 JIADRO CC(C)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359678653 1070334047 /nfs/dbraw/zinc/33/40/47/1070334047.db2.gz LVSLARWOHDWREJ-VXKWHMMOSA-N 1 0 454.663 4.322 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCCOC1CCOCC1 ZINC001359678953 1070334229 /nfs/dbraw/zinc/33/42/29/1070334229.db2.gz UMKKSVJGDBYICL-ISKFKSNPSA-N 1 0 469.674 4.477 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001359680014 1070335576 /nfs/dbraw/zinc/33/55/76/1070335576.db2.gz BIMBVWTUXPXQBS-UHFFFAOYSA-N 1 0 452.647 4.195 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359680130 1070336195 /nfs/dbraw/zinc/33/61/95/1070336195.db2.gz FUNYKEUTWCHLIR-NRFANRHFSA-N 1 0 466.655 4.295 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359682251 1070338680 /nfs/dbraw/zinc/33/86/80/1070338680.db2.gz KLRYPNNVVTWNOS-UHFFFAOYSA-N 1 0 456.038 4.459 20 0 JIADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCSc1ccccc1 ZINC001359699748 1070362561 /nfs/dbraw/zinc/36/25/61/1070362561.db2.gz PXQOVNSCWGAHRD-UHFFFAOYSA-N 1 0 456.704 4.189 20 0 JIADRO CC(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359700049 1070363077 /nfs/dbraw/zinc/36/30/77/1070363077.db2.gz BAYMYLXBHCMVAN-HYBUGGRVSA-N 1 0 458.006 4.135 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359699515 1070361697 /nfs/dbraw/zinc/36/16/97/1070361697.db2.gz ITKZWNMAUWKWCS-NRFANRHFSA-N 1 0 462.683 4.406 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359699661 1070362327 /nfs/dbraw/zinc/36/23/27/1070362327.db2.gz MZBPJVIBEPZGFP-HSZRJFAPSA-N 1 0 485.652 4.452 20 0 JIADRO CC(C)c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001359704470 1070370437 /nfs/dbraw/zinc/37/04/37/1070370437.db2.gz JTMRVUZSDXXJQB-UHFFFAOYSA-N 1 0 474.447 4.413 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359707658 1070375038 /nfs/dbraw/zinc/37/50/38/1070375038.db2.gz YJOHGBFBXADRON-RTBURBONSA-N 1 0 460.623 4.133 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359708009 1070375707 /nfs/dbraw/zinc/37/57/07/1070375707.db2.gz GVNUAFNCPNWKLI-IFMALSPDSA-N 1 0 452.578 4.286 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001359709169 1070378341 /nfs/dbraw/zinc/37/83/41/1070378341.db2.gz FVQIJCWVUPUWMA-FQEVSTJZSA-N 1 0 465.564 4.048 20 0 JIADRO COc1ccc(CCn2c(C3CCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(Cl)c1OC ZINC001315466625 1064296380 /nfs/dbraw/zinc/29/63/80/1064296380.db2.gz HKVSUJSGBGRJEY-UHFFFAOYSA-N 1 0 462.038 4.379 20 0 JIADRO COc1ccc(CN(C)c2nnc(C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC(F)F ZINC001315470551 1064308464 /nfs/dbraw/zinc/30/84/64/1064308464.db2.gz LMHJMTAVNDSEJI-QMHKHESXSA-N 1 0 451.562 4.343 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1O ZINC001315473448 1064315934 /nfs/dbraw/zinc/31/59/34/1064315934.db2.gz GNFWZEMQYQXHNE-QFIPXVFZSA-N 1 0 466.630 4.145 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC001315474117 1064318248 /nfs/dbraw/zinc/31/82/48/1064318248.db2.gz KVLQZMDNORQSGD-PMACEKPBSA-N 1 0 464.614 4.059 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001315475455 1064321961 /nfs/dbraw/zinc/32/19/61/1064321961.db2.gz UCXGZPVBPIOCID-LJQANCHMSA-N 1 0 464.614 4.034 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001315476315 1064327353 /nfs/dbraw/zinc/32/73/53/1064327353.db2.gz YICQRWOGPVTUMC-FQEVSTJZSA-N 1 0 463.630 4.201 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1F ZINC001315477053 1064329940 /nfs/dbraw/zinc/32/99/40/1064329940.db2.gz ZFPJLAPKWUEOKL-HXUWFJFHSA-N 1 0 461.626 4.008 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001315477967 1064332615 /nfs/dbraw/zinc/33/26/15/1064332615.db2.gz ZNYOZBJUJFOLMK-PMACEKPBSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001315479228 1064335782 /nfs/dbraw/zinc/33/57/82/1064335782.db2.gz GUMCNECJWPRQGW-JOCHJYFZSA-N 1 0 460.582 4.113 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001315479820 1064337721 /nfs/dbraw/zinc/33/77/21/1064337721.db2.gz QJKZXHNWNZVTOB-UHFFFAOYSA-N 1 0 462.642 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC001315480068 1064338408 /nfs/dbraw/zinc/33/84/08/1064338408.db2.gz BSIGETZTUULQDM-WOJBJXKFSA-N 1 0 473.637 4.294 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001315480595 1064340529 /nfs/dbraw/zinc/34/05/29/1064340529.db2.gz XXBNTMLQFZBPIS-QFIPXVFZSA-N 1 0 462.642 4.482 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001315484301 1064351783 /nfs/dbraw/zinc/35/17/83/1064351783.db2.gz WVOXOVZAGUBPTE-HXUWFJFHSA-N 1 0 487.689 4.102 20 0 JIADRO COc1ccc(Cn2c(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508065 1064430871 /nfs/dbraw/zinc/43/08/71/1064430871.db2.gz QCBWKMQEXRDMNN-RDJZCZTQSA-N 1 0 451.537 4.324 20 0 JIADRO COc1ccc(COCCCn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315509082 1064434152 /nfs/dbraw/zinc/43/41/52/1064434152.db2.gz SAMNXBBCNNVSIG-XMMPIXPASA-N 1 0 485.673 4.446 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001315512478 1064451057 /nfs/dbraw/zinc/45/10/57/1064451057.db2.gz YBZMKFPTZRNSNK-UHFFFAOYSA-N 1 0 491.124 4.439 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315521975 1064488982 /nfs/dbraw/zinc/48/89/82/1064488982.db2.gz DUAUGTSWLDKHES-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001315522154 1064489909 /nfs/dbraw/zinc/48/99/09/1064489909.db2.gz GLWHEMYBDLZYOC-FGZHOGPDSA-N 1 0 485.673 4.116 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC3CCCC3)n1CC[NH+](C(C)C)C(C)C)C[C@H]2O ZINC001315528484 1064507705 /nfs/dbraw/zinc/50/77/05/1064507705.db2.gz ZYPILPGQJSLSQG-JOCHJYFZSA-N 1 0 485.673 4.200 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001315528600 1064508331 /nfs/dbraw/zinc/50/83/31/1064508331.db2.gz CQVSEHUOMWFYIR-UHFFFAOYSA-N 1 0 467.536 4.130 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCCCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001315530779 1064515184 /nfs/dbraw/zinc/51/51/84/1064515184.db2.gz MQNAXGZBKNAAPZ-UHFFFAOYSA-N 1 0 473.687 4.464 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001315532353 1064519373 /nfs/dbraw/zinc/51/93/73/1064519373.db2.gz HDXQYIUKDUVXKS-ZWKOTPCHSA-N 1 0 467.536 4.129 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(C)(C)SC)cc1 ZINC001315534428 1064523971 /nfs/dbraw/zinc/52/39/71/1064523971.db2.gz JRCIIHIGMWKMQM-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001315536025 1064527527 /nfs/dbraw/zinc/52/75/27/1064527527.db2.gz URDMBDKSFPADRP-JIPXPUAJSA-N 1 0 487.689 4.483 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(OC)CCCC2)cc1 ZINC001315537311 1064530156 /nfs/dbraw/zinc/53/01/56/1064530156.db2.gz LNLDEYSESSZJRX-UHFFFAOYSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(OCCn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315540557 1064536326 /nfs/dbraw/zinc/53/63/26/1064536326.db2.gz XZUITKRUHKGZKN-UHFFFAOYSA-N 1 0 464.614 4.047 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001315545434 1064551160 /nfs/dbraw/zinc/55/11/60/1064551160.db2.gz AXZHAACGAXMPNI-QHCPKHFHSA-N 1 0 464.639 4.336 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001315546496 1064553735 /nfs/dbraw/zinc/55/37/35/1064553735.db2.gz VSPOVUMVARFDPD-QFIPXVFZSA-N 1 0 468.690 4.199 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315546769 1064554742 /nfs/dbraw/zinc/55/47/42/1064554742.db2.gz JOTFLCQGROFITO-GJZUVCINSA-N 1 0 466.630 4.226 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N(C)Cc2cc(C)on2)[NH+]2CCCC2)c1 ZINC001315548293 1064559665 /nfs/dbraw/zinc/55/96/65/1064559665.db2.gz ZCWDUJXXZUQPSE-HSZRJFAPSA-N 1 0 452.603 4.255 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(CC(C)C)C2CCCC2)[NH+](C)C)c1 ZINC001315548332 1064560527 /nfs/dbraw/zinc/56/05/27/1064560527.db2.gz ZTLQTMOGJZETNT-XMMPIXPASA-N 1 0 465.646 4.395 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnc(C)s2)[NH+](C)C)c1 ZINC001315549862 1064565408 /nfs/dbraw/zinc/56/54/08/1064565408.db2.gz SREHZIGEFNVWDD-QFIPXVFZSA-N 1 0 497.694 4.347 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001315553981 1064572014 /nfs/dbraw/zinc/57/20/14/1064572014.db2.gz NPLYKIQALACRMN-OFNKIYASSA-N 1 0 498.672 4.035 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cccs3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315557225 1064576703 /nfs/dbraw/zinc/57/67/03/1064576703.db2.gz UIKAIZXJPROHAB-WOJBJXKFSA-N 1 0 469.655 4.193 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cccs3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315557223 1064576987 /nfs/dbraw/zinc/57/69/87/1064576987.db2.gz UIKAIZXJPROHAB-PMACEKPBSA-N 1 0 469.655 4.193 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558624 1064581347 /nfs/dbraw/zinc/58/13/47/1064581347.db2.gz CNYWEVPFMOHXQC-IRLDBZIGSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315558950 1064583362 /nfs/dbraw/zinc/58/33/62/1064583362.db2.gz BLJQGTDMYMKCJX-OYRHEFFESA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315559817 1064584848 /nfs/dbraw/zinc/58/48/48/1064584848.db2.gz XCRCPCOGVYRGPZ-JOCHJYFZSA-N 1 0 496.700 4.349 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCOCC(F)F)c1 ZINC001315561246 1064586648 /nfs/dbraw/zinc/58/66/48/1064586648.db2.gz UALZZITWWHOJJG-WOJBJXKFSA-N 1 0 477.600 4.326 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001315567873 1064600767 /nfs/dbraw/zinc/60/07/67/1064600767.db2.gz UGQFNIUQOFONGM-HKUYNNGSSA-N 1 0 481.544 4.086 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCC(C)CC3)CCO2)c1 ZINC001315573780 1064625615 /nfs/dbraw/zinc/62/56/15/1064625615.db2.gz SZANZZGRXVMBNM-XMMPIXPASA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001315578721 1064640898 /nfs/dbraw/zinc/64/08/98/1064640898.db2.gz ZHVYXBDGZWZOLZ-HXUWFJFHSA-N 1 0 496.681 4.035 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)C2)c1 ZINC001315583276 1064654233 /nfs/dbraw/zinc/65/42/33/1064654233.db2.gz ZGOGXFIZMRLLMV-DEOSSOPVSA-N 1 0 485.673 4.095 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001315583285 1064654247 /nfs/dbraw/zinc/65/42/47/1064654247.db2.gz ZMPTZTDWKHDMTG-GGAORHGYSA-N 1 0 457.663 4.356 20 0 JIADRO COc1cccc(OCCCn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001315590072 1064675665 /nfs/dbraw/zinc/67/56/65/1064675665.db2.gz JBVUUEICENHDSA-UHFFFAOYSA-N 1 0 469.655 4.329 20 0 JIADRO COc1ccccc1[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC(C)C ZINC001315590687 1064679022 /nfs/dbraw/zinc/67/90/22/1064679022.db2.gz FSYOCGIMMIEHBR-RPWUZVMVSA-N 1 0 471.646 4.225 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315591272 1064680563 /nfs/dbraw/zinc/68/05/63/1064680563.db2.gz KLAYXIRORHBLRZ-FPOVZHCZSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315592155 1064683437 /nfs/dbraw/zinc/68/34/37/1064683437.db2.gz UROJKFGSXJQXDW-WINIVTDRSA-N 1 0 479.673 4.451 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315592157 1064683461 /nfs/dbraw/zinc/68/34/61/1064683461.db2.gz UROJKFGSXJQXDW-XHCCPWGMSA-N 1 0 479.673 4.451 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315592738 1064684932 /nfs/dbraw/zinc/68/49/32/1064684932.db2.gz YCFBVUIZKFBGBH-UBVWURDFSA-N 1 0 496.700 4.305 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001315600760 1064707738 /nfs/dbraw/zinc/70/77/38/1064707738.db2.gz PMWFQKHXHNLMOS-RDPSFJRHSA-N 1 0 455.647 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315600570 1064708058 /nfs/dbraw/zinc/70/80/58/1064708058.db2.gz ZYNXEWHQYANWKA-JOCHJYFZSA-N 1 0 496.700 4.301 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](OCC(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315601706 1064711315 /nfs/dbraw/zinc/71/13/15/1064711315.db2.gz OCGSBGOOOFPOME-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315603231 1064714556 /nfs/dbraw/zinc/71/45/56/1064714556.db2.gz XWNMJGYWNRDTMH-VXKWHMMOSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccnc(SC)c1 ZINC001315603632 1064715780 /nfs/dbraw/zinc/71/57/80/1064715780.db2.gz AFBKEOXUFBKCOW-UHFFFAOYSA-N 1 0 466.655 4.430 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315607391 1064724784 /nfs/dbraw/zinc/72/47/84/1064724784.db2.gz AVBOZGJSRBNBEB-BGYRXZFFSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315607759 1064725685 /nfs/dbraw/zinc/72/56/85/1064725685.db2.gz DSLJGFPQVLSWHE-SIKLNZKXSA-N 1 0 484.670 4.273 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315608276 1064727110 /nfs/dbraw/zinc/72/71/10/1064727110.db2.gz GNVTZRZHIWZTDP-KNQAVFIVSA-N 1 0 497.644 4.014 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315610994 1064730999 /nfs/dbraw/zinc/73/09/99/1064730999.db2.gz JSBVTILNVXAOTR-FUPPJEDESA-N 1 0 482.673 4.134 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315614006 1064738038 /nfs/dbraw/zinc/73/80/38/1064738038.db2.gz AYWYRUNNLHCGKU-LADGPHEKSA-N 1 0 493.700 4.336 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001315614492 1064738602 /nfs/dbraw/zinc/73/86/02/1064738602.db2.gz CFPBREDKMQCMRQ-QFIPXVFZSA-N 1 0 493.700 4.480 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315617299 1064746620 /nfs/dbraw/zinc/74/66/20/1064746620.db2.gz DLMLXNPLIRMJCK-GGAORHGYSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+](C)C ZINC001315618226 1064748801 /nfs/dbraw/zinc/74/88/01/1064748801.db2.gz VAVUTGWHVOBXMP-LUBSMZHTSA-N 1 0 457.663 4.223 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315618668 1064749378 /nfs/dbraw/zinc/74/93/78/1064749378.db2.gz OZAIGLJIKKBBKP-LEWJYISDSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315623118 1064760880 /nfs/dbraw/zinc/76/08/80/1064760880.db2.gz UVWUEZGTIMFRRV-CPJSRVTESA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC(C)(C)SC ZINC001315623444 1064761246 /nfs/dbraw/zinc/76/12/46/1064761246.db2.gz YRAYMRCKCZTFAZ-FQEVSTJZSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H]2C(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001315629120 1064777201 /nfs/dbraw/zinc/77/72/01/1064777201.db2.gz XEWVSLCLCXAUEA-NRFANRHFSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(SC)CCC1 ZINC001315655517 1064844205 /nfs/dbraw/zinc/84/42/05/1064844205.db2.gz AXRMWVNZLGJNHR-UHFFFAOYSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315655639 1064844908 /nfs/dbraw/zinc/84/49/08/1064844908.db2.gz NAZCSINMKBFCFO-VQTJNVASSA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001315656699 1064848044 /nfs/dbraw/zinc/84/80/44/1064848044.db2.gz BPWIXUADLIKXSD-UHFFFAOYSA-N 1 0 475.703 4.218 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H](C)SC ZINC001315657584 1064849298 /nfs/dbraw/zinc/84/92/98/1064849298.db2.gz VBAIHPNJKQEYDC-KBWCOIMZSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C2CCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315660214 1064856808 /nfs/dbraw/zinc/85/68/08/1064856808.db2.gz BHOJAAYLADUEMR-KDURUIRLSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315661616 1064861962 /nfs/dbraw/zinc/86/19/62/1064861962.db2.gz LPOMXBKQLRBYLX-ACRUOGEOSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@](C)(O)C(C)C ZINC001315663731 1064871608 /nfs/dbraw/zinc/87/16/08/1064871608.db2.gz KEBQKUQHOVKWJQ-LVXARBLLSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001315664469 1064875121 /nfs/dbraw/zinc/87/51/21/1064875121.db2.gz KPNUZDBNNKNBLK-UHFFFAOYSA-N 1 0 471.671 4.236 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(O)C(C)C ZINC001315665754 1064879432 /nfs/dbraw/zinc/87/94/32/1064879432.db2.gz RXWLIPDUIAMHGL-VWLOTQADSA-N 1 0 475.703 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCSC(C)C ZINC001315666271 1064882270 /nfs/dbraw/zinc/88/22/70/1064882270.db2.gz NPIZEOITHSOCQA-UHFFFAOYSA-N 1 0 461.701 4.395 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSCC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315667295 1064886328 /nfs/dbraw/zinc/88/63/28/1064886328.db2.gz CAKYNEJDVWSCNZ-LJQANCHMSA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315668494 1064892111 /nfs/dbraw/zinc/89/21/11/1064892111.db2.gz OEOLKHXOVKHLHE-ACRUOGEOSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315670115 1064898492 /nfs/dbraw/zinc/89/84/92/1064898492.db2.gz PTKPRHHNZMGWCP-KDURUIRLSA-N 1 0 491.727 4.020 20 0 JIADRO COC1CCC(CCn2c(C(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001315678077 1064917041 /nfs/dbraw/zinc/91/70/41/1064917041.db2.gz 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Cc1cccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001492520864 1066387833 /nfs/dbraw/zinc/38/78/33/1066387833.db2.gz WVMHRNSFLDFYRY-XMSQKQJNSA-N 1 0 452.578 4.094 20 0 JIADRO CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316476992 1066388489 /nfs/dbraw/zinc/38/84/89/1066388489.db2.gz SROPIYJDHCJCQJ-KDURUIRLSA-N 1 0 493.668 4.226 20 0 JIADRO Cc1cccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCOCC[NH+](C)C)c1 ZINC001492523315 1066394353 /nfs/dbraw/zinc/39/43/53/1066394353.db2.gz NSWCTZRUAMCFTQ-OAQYLSRUSA-N 1 0 487.446 4.264 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)C2)ccn1 ZINC001334604153 1066397348 /nfs/dbraw/zinc/39/73/48/1066397348.db2.gz UDDMZUVMVAWJFL-XMMPIXPASA-N 1 0 477.609 4.319 20 0 JIADRO Cc1cccc([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@H](C)[NH+](C)C)C2)c1 ZINC001492524318 1066398151 /nfs/dbraw/zinc/39/81/51/1066398151.db2.gz KSAZDGWTAOSILK-WMZOPIPTSA-N 1 0 457.420 4.288 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC001316487188 1066409311 /nfs/dbraw/zinc/40/93/11/1066409311.db2.gz IEQXZYYWSTXIRO-LJQANCHMSA-N 1 0 488.652 4.292 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316487693 1066412135 /nfs/dbraw/zinc/41/21/35/1066412135.db2.gz PSNWYLAYCRMSRD-TZIWHRDSSA-N 1 0 470.662 4.324 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316488114 1066413938 /nfs/dbraw/zinc/41/39/38/1066413938.db2.gz YTYQVACAAJMSGC-WIYYLYMNSA-N 1 0 499.685 4.094 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316489432 1066420929 /nfs/dbraw/zinc/42/09/29/1066420929.db2.gz OKHHQBDWHMOZQB-IRLDBZIGSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1F ZINC001316491845 1066428302 /nfs/dbraw/zinc/42/83/02/1066428302.db2.gz ISTDLEPYDCKZKT-SFLYRZDNSA-N 1 0 487.664 4.186 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC001316493141 1066434875 /nfs/dbraw/zinc/43/48/75/1066434875.db2.gz DGBIUAHWLXGZES-GASCZTMLSA-N 1 0 468.415 4.048 20 0 JIADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1)NC(=O)OC(C)(C)C ZINC001316497024 1066447500 /nfs/dbraw/zinc/44/75/00/1066447500.db2.gz NZUUJWICCQYSMQ-LJQANCHMSA-N 1 0 482.654 4.242 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F ZINC001316497198 1066448633 /nfs/dbraw/zinc/44/86/33/1066448633.db2.gz PHJOPRKIVDOIBA-IEBWSBKVSA-N 1 0 469.577 4.136 20 0 JIADRO CC(C)(C)c1nnc(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1 ZINC001337189496 1066464974 /nfs/dbraw/zinc/46/49/74/1066464974.db2.gz PSGFSCNBLNFXJO-UHFFFAOYSA-N 1 0 464.639 4.155 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504043 1066473206 /nfs/dbraw/zinc/47/32/06/1066473206.db2.gz GZUZDLKXDGSBPT-KGSLCBSSSA-N 1 0 488.746 4.266 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC001337388735 1066478901 /nfs/dbraw/zinc/47/89/01/1066478901.db2.gz SRLIYTGISSJLFC-UHFFFAOYSA-N 1 0 479.046 4.288 20 0 JIADRO Cc1ccc(-n2c3nn(CN4CC[NH+](C(C)(C)C)CC4)c(=S)n3c3ccccc3c2=O)c(C)c1 ZINC001337561699 1066493089 /nfs/dbraw/zinc/49/30/89/1066493089.db2.gz COTMBACGRJDYBH-UHFFFAOYSA-N 1 0 476.650 4.160 20 0 JIADRO FC(F)(F)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001316510166 1066493424 /nfs/dbraw/zinc/49/34/24/1066493424.db2.gz DNLRVCSVYVNIJI-HNNXBMFYSA-N 1 0 475.357 4.443 20 0 JIADRO FC(F)(F)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)CC1 ZINC001316511031 1066496107 /nfs/dbraw/zinc/49/61/07/1066496107.db2.gz MMOZVQBBWGDKKV-UHFFFAOYSA-N 1 0 474.984 4.211 20 0 JIADRO FC(F)(F)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001316512714 1066500640 /nfs/dbraw/zinc/50/06/40/1066500640.db2.gz MUDYNXXDRZBREO-CQSZACIVSA-N 1 0 458.326 4.335 20 0 JIADRO FC(F)(F)CCCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001316512989 1066501151 /nfs/dbraw/zinc/50/11/51/1066501151.db2.gz SRDAUTZJCOXBBZ-UHFFFAOYSA-N 1 0 458.532 4.319 20 0 JIADRO FC(F)C(F)(F)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316516881 1066515264 /nfs/dbraw/zinc/51/52/64/1066515264.db2.gz QGTRXVVXQXSHTH-LJQANCHMSA-N 1 0 498.569 4.350 20 0 JIADRO FC(F)OCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316520692 1066525684 /nfs/dbraw/zinc/52/56/84/1066525684.db2.gz LVYHHHVCGLLRDD-CYBMUJFWSA-N 1 0 476.391 4.073 20 0 JIADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccc(Br)s1 ZINC001338046399 1066527279 /nfs/dbraw/zinc/52/72/79/1066527279.db2.gz OUAVPZUJXGOCRZ-INIZCTEOSA-N 1 0 465.413 4.409 20 0 JIADRO Cc1cc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)ccc1N1CC[NH+](C)CC1 ZINC001338095446 1066530529 /nfs/dbraw/zinc/53/05/29/1066530529.db2.gz DWVOWGQOPUSTTM-UHFFFAOYSA-N 1 0 450.974 4.111 20 0 JIADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001338103346 1066530951 /nfs/dbraw/zinc/53/09/51/1066530951.db2.gz JGNDQZCXHFTEHR-UTKZUKDTSA-N 1 0 468.399 4.327 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCOCC(F)F ZINC001316525823 1066540248 /nfs/dbraw/zinc/54/02/48/1066540248.db2.gz PKIABEVPKFRQOR-FQEVSTJZSA-N 1 0 479.591 4.382 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC[NH+]1CCCC1 ZINC001316525773 1066540361 /nfs/dbraw/zinc/54/03/61/1066540361.db2.gz OKLQHHQABCBPRA-UHFFFAOYSA-N 1 0 454.377 4.381 20 0 JIADRO COc1cc(CNC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc(Cl)c1OC ZINC001339874618 1066579715 /nfs/dbraw/zinc/57/97/15/1066579715.db2.gz DUHHPAMRAXGEAB-UHFFFAOYSA-N 1 0 475.033 4.067 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)CC2)c1 ZINC001492534679 1066582228 /nfs/dbraw/zinc/58/22/28/1066582228.db2.gz KDMZWERFHICUSR-UHFFFAOYSA-N 1 0 467.687 4.404 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001492534757 1066583137 /nfs/dbraw/zinc/58/31/37/1066583137.db2.gz MVUBZORCIFTKMI-HXUWFJFHSA-N 1 0 468.646 4.042 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)c1C ZINC001492535570 1066585355 /nfs/dbraw/zinc/58/53/55/1066585355.db2.gz QHLNCZJMZOCLFT-QHCPKHFHSA-N 1 0 482.717 4.311 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536075 1066587219 /nfs/dbraw/zinc/58/72/19/1066587219.db2.gz JVYXVBAJPBLKBQ-VXKWHMMOSA-N 1 0 454.663 4.290 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001341802499 1066589745 /nfs/dbraw/zinc/58/97/45/1066589745.db2.gz NISIWFKDHQRXPO-HXUWFJFHSA-N 1 0 495.041 4.069 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316584302 1066603650 /nfs/dbraw/zinc/60/36/50/1066603650.db2.gz DLSHFKQYKYYRNU-OAQYLSRUSA-N 1 0 497.993 4.458 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001316585234 1066606306 /nfs/dbraw/zinc/60/63/06/1066606306.db2.gz PJOPUARGWMMCRU-LJQANCHMSA-N 1 0 479.467 4.043 20 0 JIADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585751 1066607598 /nfs/dbraw/zinc/60/75/98/1066607598.db2.gz XSZUIOSIYHYOPZ-UYAOXDASSA-N 1 0 467.992 4.317 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492541832 1066650860 /nfs/dbraw/zinc/65/08/60/1066650860.db2.gz PPGOQQHIZCSSER-QFIPXVFZSA-N 1 0 465.646 4.012 20 0 JIADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001317834620 1066720495 /nfs/dbraw/zinc/72/04/95/1066720495.db2.gz IKDBLJQMUFPCFM-UHFFFAOYSA-N 1 0 450.004 4.217 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001348246790 1066730056 /nfs/dbraw/zinc/73/00/56/1066730056.db2.gz RHIMXXDHVRIEGS-DNVJHFABSA-N 1 0 467.610 4.259 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c2cnn(Cc3cccs3)c2n1 ZINC001348368731 1066739355 /nfs/dbraw/zinc/73/93/55/1066739355.db2.gz ASZOSOUNHKWJNR-NRFANRHFSA-N 1 0 472.618 4.386 20 0 JIADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001348372146 1066739975 /nfs/dbraw/zinc/73/99/75/1066739975.db2.gz RPTVQQRVSGFHGP-DEOSSOPVSA-N 1 0 490.570 4.126 20 0 JIADRO CCc1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)nn1-c1ccccc1F ZINC001348431477 1066744552 /nfs/dbraw/zinc/74/45/52/1066744552.db2.gz YTXJKHJDYQKTDD-UHFFFAOYSA-N 1 0 456.953 4.016 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)CC1 ZINC001317882752 1066752278 /nfs/dbraw/zinc/75/22/78/1066752278.db2.gz WZWBRKNTRWJXGJ-UHFFFAOYSA-N 1 0 452.780 4.262 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC2)cc1 ZINC001317886672 1066756131 /nfs/dbraw/zinc/75/61/31/1066756131.db2.gz WQTWSTZBZGGWTE-UHFFFAOYSA-N 1 0 453.384 4.291 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001492545731 1066757098 /nfs/dbraw/zinc/75/70/98/1066757098.db2.gz OUTFBSJFKUZFFW-GOTSBHOMSA-N 1 0 455.647 4.290 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)cc2)CC1 ZINC001348582253 1066758641 /nfs/dbraw/zinc/75/86/41/1066758641.db2.gz IBOYEPJGMXBOGC-QFIPXVFZSA-N 1 0 456.631 4.194 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001492545890 1066765152 /nfs/dbraw/zinc/76/51/52/1066765152.db2.gz LYLKAUPOBUZAJV-UHFFFAOYSA-N 1 0 494.606 4.114 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546061 1066767269 /nfs/dbraw/zinc/76/72/69/1066767269.db2.gz RBOWCFRAJDUPCX-PKTZIBPZSA-N 1 0 469.674 4.396 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546414 1066773809 /nfs/dbraw/zinc/77/38/09/1066773809.db2.gz VSJRKFPZJGBZHI-ZEQRLZLVSA-N 1 0 496.700 4.171 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001317937970 1066796548 /nfs/dbraw/zinc/79/65/48/1066796548.db2.gz JKXKNUUUHPCQDC-IBGZPJMESA-N 1 0 458.562 4.201 20 0 JIADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001349160722 1066816381 /nfs/dbraw/zinc/81/63/81/1066816381.db2.gz NQHYOQXSYVKKOM-SJORKVTESA-N 1 0 457.537 4.289 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001349393199 1066837004 /nfs/dbraw/zinc/83/70/04/1066837004.db2.gz YOORBQTULKBRGB-KRWDZBQOSA-N 1 0 453.974 4.023 20 0 JIADRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001349410744 1066838806 /nfs/dbraw/zinc/83/88/06/1066838806.db2.gz DBPQSKKWSZQFOO-VAVYLYDRSA-N 1 0 458.602 4.452 20 0 JIADRO Cc1ccc([C@H](CNC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)[NH+]2CCCC2)cc1 ZINC001318062171 1066879545 /nfs/dbraw/zinc/87/95/45/1066879545.db2.gz OBLSCWIYQUAVGU-JQVVWYNYSA-N 1 0 457.644 4.019 20 0 JIADRO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001318072562 1066884761 /nfs/dbraw/zinc/88/47/61/1066884761.db2.gz NRKJPMSTGHTXIY-UHFFFAOYSA-N 1 0 476.543 4.311 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001318076273 1066887224 /nfs/dbraw/zinc/88/72/24/1066887224.db2.gz VWPFIMYPWBUYJH-UHFFFAOYSA-N 1 0 464.031 4.112 20 0 JIADRO Cc1cc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001318083488 1066891613 /nfs/dbraw/zinc/89/16/13/1066891613.db2.gz ZMVQHXSQKRKESY-UHFFFAOYSA-N 1 0 484.526 4.476 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COc1ccc(Br)c(C)c1 ZINC001349909623 1066894618 /nfs/dbraw/zinc/89/46/18/1066894618.db2.gz BADUMHMWYDGEPD-UHFFFAOYSA-N 1 0 459.388 4.467 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001318090479 1066894596 /nfs/dbraw/zinc/89/45/96/1066894596.db2.gz LKANZDMGBBHVAC-HSZRJFAPSA-N 1 0 484.438 4.097 20 0 JIADRO COc1ccc(-n2c(=S)n(CN3CCC[N@@H+]4CCC[C@@H]4C3)nc2-c2cccc(OC)c2)cc1 ZINC001318093990 1066895974 /nfs/dbraw/zinc/89/59/74/1066895974.db2.gz AINNVNXGGIBBQR-OAQYLSRUSA-N 1 0 465.623 4.215 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC001349939384 1066898785 /nfs/dbraw/zinc/89/87/85/1066898785.db2.gz ADFBUYGQZIGDTM-UHFFFAOYSA-N 1 0 450.583 4.378 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC001350017968 1066906715 /nfs/dbraw/zinc/90/67/15/1066906715.db2.gz KBWYRIAPFWLFHH-CVEARBPZSA-N 1 0 467.517 4.381 20 0 JIADRO Cc1cc2c(c(F)c1)C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)N2C(=O)OC(C)(C)C ZINC001350049134 1066909091 /nfs/dbraw/zinc/90/90/91/1066909091.db2.gz PQTYXJQTCOZRTB-NHCUHLMSSA-N 1 0 457.546 4.347 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(Br)cnc2N(C)C)c2cccs2)CC1 ZINC001350074161 1066913165 /nfs/dbraw/zinc/91/31/65/1066913165.db2.gz ZANFWDIYBKQCIC-KRWDZBQOSA-N 1 0 451.434 4.175 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)c2nccs2)c1 ZINC001492547333 1066919906 /nfs/dbraw/zinc/91/99/06/1066919906.db2.gz VTAUIUVPXUZPMV-FQEVSTJZSA-N 1 0 454.644 4.204 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001350140225 1066923185 /nfs/dbraw/zinc/92/31/85/1066923185.db2.gz UESOQPVMYAWQPC-KGLIPLIRSA-N 1 0 450.601 4.002 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156314 1066929033 /nfs/dbraw/zinc/92/90/33/1066929033.db2.gz MOWJEJDERLCFDL-GMAHTHKFSA-N 1 0 458.647 4.248 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CC1 ZINC001350552760 1066970257 /nfs/dbraw/zinc/97/02/57/1066970257.db2.gz GOBAVWFVVCLQLT-UHFFFAOYSA-N 1 0 457.550 4.086 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC001350598271 1066977565 /nfs/dbraw/zinc/97/75/65/1066977565.db2.gz OKUBUZOHXHLPPC-YHYXMXQVSA-N 1 0 451.548 4.174 20 0 JIADRO CC(C)c1cccc(-c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)NCC[NH+](C)C)o2)c1 ZINC001350628059 1066980962 /nfs/dbraw/zinc/98/09/62/1066980962.db2.gz GKQITHMUEUICDI-DEOSSOPVSA-N 1 0 459.590 4.315 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2Cl)CC1 ZINC001318266514 1066992037 /nfs/dbraw/zinc/99/20/37/1066992037.db2.gz SQCUAVVYOSYTBE-JOCHJYFZSA-N 1 0 484.044 4.298 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CSc2ccc(Br)cc2)CC1)C(C)C ZINC001318289992 1067004252 /nfs/dbraw/zinc/00/42/52/1067004252.db2.gz JWRIZTZLGSVTBV-UHFFFAOYSA-N 1 0 484.504 4.015 20 0 JIADRO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001318303399 1067008362 /nfs/dbraw/zinc/00/83/62/1067008362.db2.gz BLTJBUOEIRSSOM-FGZHOGPDSA-N 1 0 477.653 4.371 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC001318315927 1067013824 /nfs/dbraw/zinc/01/38/24/1067013824.db2.gz DRVLAFMUIIFBJT-UHFFFAOYSA-N 1 0 483.410 4.105 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)NCC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001200738608 1067016189 /nfs/dbraw/zinc/01/61/89/1067016189.db2.gz IUMUJNOLXYQZRW-UHFFFAOYSA-N 1 0 476.440 4.054 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 ZINC001318327568 1067019310 /nfs/dbraw/zinc/01/93/10/1067019310.db2.gz WSPJUEPIYYPLNM-UHFFFAOYSA-N 1 0 465.598 4.058 20 0 JIADRO COc1ccc([C@@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC001318327836 1067019512 /nfs/dbraw/zinc/01/95/12/1067019512.db2.gz ZIJLOIFQXCXCJW-SANMLTNESA-N 1 0 462.569 4.175 20 0 JIADRO C[NH+]1CCC(N(C(=O)c2cc(Br)ncc2Br)c2ccccc2)CC1 ZINC001354662160 1067027310 /nfs/dbraw/zinc/02/73/10/1067027310.db2.gz NZMRIPPXVHIGLF-UHFFFAOYSA-N 1 0 453.178 4.348 20 0 JIADRO C[C@]1(c2cccc(C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)c2)NC(=O)NC1=O ZINC001318372752 1067033934 /nfs/dbraw/zinc/03/39/34/1067033934.db2.gz RNISPVSLSACWAV-RUZDIDTESA-N 1 0 494.389 4.373 20 0 JIADRO O=C(NCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1C(F)(F)F ZINC001318372968 1067033980 /nfs/dbraw/zinc/03/39/80/1067033980.db2.gz VJFXUKAPVOXTJE-UHFFFAOYSA-N 1 0 456.390 4.430 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)[NH+]2CCCCC2)cc1 ZINC001351032832 1067035401 /nfs/dbraw/zinc/03/54/01/1067035401.db2.gz HQYQGYKIYFFVNN-OAQYLSRUSA-N 1 0 454.571 4.394 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(COc3ccccc3F)on2)[NH+]2CCCCC2)cc1 ZINC001351033109 1067035433 /nfs/dbraw/zinc/03/54/33/1067035433.db2.gz NGBNFQSPSRFNKT-QHCPKHFHSA-N 1 0 453.514 4.358 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001492548784 1067044621 /nfs/dbraw/zinc/04/46/21/1067044621.db2.gz KXDIMYUTHPXUJX-JTHBVZDNSA-N 1 0 457.688 4.475 20 0 JIADRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC001318633487 1067057689 /nfs/dbraw/zinc/05/76/89/1067057689.db2.gz TZHORSZIZJDUGB-JOCHJYFZSA-N 1 0 488.632 4.498 20 0 JIADRO COc1ccncc1Cn1c(N(Cc2cccc(F)c2)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300701538 1067061654 /nfs/dbraw/zinc/06/16/54/1067061654.db2.gz CAIMIWATPMBTDX-SANMLTNESA-N 1 0 483.588 4.325 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001319047313 1067065023 /nfs/dbraw/zinc/06/50/23/1067065023.db2.gz MJSXKCLXDCYMRP-UHFFFAOYSA-N 1 0 496.681 4.229 20 0 JIADRO Cc1cccc(-n2cc(C(=O)C(C(=S)Nc3cccc(F)c3F)[n+]3ccccc3)nn2)c1 ZINC001319412244 1067072706 /nfs/dbraw/zinc/07/27/06/1067072706.db2.gz DSHVWUORZWWILB-UHFFFAOYSA-O 1 0 450.494 4.465 20 0 JIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738693 1067072805 /nfs/dbraw/zinc/07/28/05/1067072805.db2.gz WNYMCXBPYTZISI-ZSGPHXLJSA-N 1 0 479.643 4.389 20 0 JIADRO C[N@H+](Cc1ccccc1CNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1CCCCC1 ZINC001319383050 1067072901 /nfs/dbraw/zinc/07/29/01/1067072901.db2.gz JQDPPEJGLYHAFS-UHFFFAOYSA-N 1 0 469.670 4.267 20 0 JIADRO CCOc1ccc(Br)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c1F ZINC001351337959 1067079167 /nfs/dbraw/zinc/07/91/67/1067079167.db2.gz AJQYPAYVFGBJNC-UHFFFAOYSA-N 1 0 450.352 4.299 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)ccc1N1CC[NH+](C)CC1 ZINC001351338633 1067079201 /nfs/dbraw/zinc/07/92/01/1067079201.db2.gz KEPIQWYKIMNNCT-OAQYLSRUSA-N 1 0 456.631 4.113 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(F)ccc(Br)c3OC)c(C)c2)CC1 ZINC001351389697 1067087627 /nfs/dbraw/zinc/08/76/27/1067087627.db2.gz DFSAWEKRNNGJBX-UHFFFAOYSA-N 1 0 450.352 4.299 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC001320299402 1067089351 /nfs/dbraw/zinc/08/93/51/1067089351.db2.gz PTIDSLMCDCCKAJ-UHFFFAOYSA-N 1 0 468.779 4.124 20 0 JIADRO C[C@@H]1CCCN(C(=O)CCNC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001351522511 1067117352 /nfs/dbraw/zinc/11/73/52/1067117352.db2.gz ZGKJYNXWUCTMKJ-QGZVFWFLSA-N 1 0 457.446 4.105 20 0 JIADRO CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[C@@H]1c1ccccc1OC ZINC001321429140 1067127706 /nfs/dbraw/zinc/12/77/06/1067127706.db2.gz DBWTYULUWCPYMX-YWEHKCAJSA-N 1 0 492.664 4.474 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1cccs1)C(=S)NCCc1ccc2c(c1)OCCO2 ZINC001321440009 1067130586 /nfs/dbraw/zinc/13/05/86/1067130586.db2.gz JSECCZVKEURSND-UHFFFAOYSA-O 1 0 453.609 4.413 20 0 JIADRO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001321459130 1067136619 /nfs/dbraw/zinc/13/66/19/1067136619.db2.gz ZQXDTDQRPYFFPS-UHFFFAOYSA-N 1 0 472.511 4.375 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c(C(F)(F)F)c1 ZINC001321506149 1067150146 /nfs/dbraw/zinc/15/01/46/1067150146.db2.gz LHFPJBTYHNLTHO-UHFFFAOYSA-N 1 0 478.559 4.239 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)cc2)CC1 ZINC001351632307 1067152430 /nfs/dbraw/zinc/15/24/30/1067152430.db2.gz ZICJZJSUKOIFLD-UHFFFAOYSA-N 1 0 457.500 4.344 20 0 JIADRO COC(=O)c1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n(-c2ccccc2)n1 ZINC001321539587 1067160512 /nfs/dbraw/zinc/16/05/12/1067160512.db2.gz ZHMKETIBXAPGJH-UHFFFAOYSA-N 1 0 489.576 4.116 20 0 JIADRO CCOc1ccc([C@@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC001321564332 1067167565 /nfs/dbraw/zinc/16/75/65/1067167565.db2.gz ULTAWYHBXQOALX-MHZLTWQESA-N 1 0 458.606 4.426 20 0 JIADRO Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)c2)cc1 ZINC001321621830 1067178633 /nfs/dbraw/zinc/17/86/33/1067178633.db2.gz NVSACUYRDZRKSH-UHFFFAOYSA-N 1 0 485.632 4.307 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001200799035 1067180435 /nfs/dbraw/zinc/18/04/35/1067180435.db2.gz IMSFGRAIOIPPBX-NSHDSACASA-N 1 0 451.203 4.218 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001200799112 1067180948 /nfs/dbraw/zinc/18/09/48/1067180948.db2.gz JLVKFQNITKJXSO-NSHDSACASA-N 1 0 451.203 4.218 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4c(C(F)(F)F)cnn4C)cc3)CC2)c1 ZINC001354847352 1067186878 /nfs/dbraw/zinc/18/68/78/1067186878.db2.gz JPDDPJBYGHZIFY-UHFFFAOYSA-N 1 0 457.500 4.322 20 0 JIADRO COCCOc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)nc2ccccc21 ZINC001351749678 1067190124 /nfs/dbraw/zinc/19/01/24/1067190124.db2.gz LWYRAINZOMJNSF-UHFFFAOYSA-N 1 0 451.592 4.370 20 0 JIADRO O=C(c1cc(Cl)cc(Cl)c1F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001351770916 1067200481 /nfs/dbraw/zinc/20/04/81/1067200481.db2.gz IYBCMDCTCHBXKB-MRXNPFEDSA-N 1 0 451.373 4.202 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)cc21 ZINC001351865737 1067228283 /nfs/dbraw/zinc/22/82/83/1067228283.db2.gz NZCOSUKMCTTYIC-VBKFSLOCSA-N 1 0 453.848 4.394 20 0 JIADRO COc1ccc(I)c(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001322187610 1067260868 /nfs/dbraw/zinc/26/08/68/1067260868.db2.gz RGLKMYPGXGSLAI-UHFFFAOYSA-N 1 0 479.362 4.348 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001200811803 1067264732 /nfs/dbraw/zinc/26/47/32/1067264732.db2.gz YFOSSEIKJZCJNJ-RTBURBONSA-N 1 0 469.482 4.406 20 0 JIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001352018995 1067270055 /nfs/dbraw/zinc/27/00/55/1067270055.db2.gz KORKUXZORMCLLL-FQEVSTJZSA-N 1 0 457.372 4.244 20 0 JIADRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352081618 1067282807 /nfs/dbraw/zinc/28/28/07/1067282807.db2.gz SVSFKWBFDJQFSB-CABCVRRESA-N 1 0 451.792 4.433 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300757888 1067289138 /nfs/dbraw/zinc/28/91/38/1067289138.db2.gz NXUPNRPPCXSQLD-OAQYLSRUSA-N 1 0 463.573 4.284 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300758865 1067293102 /nfs/dbraw/zinc/29/31/02/1067293102.db2.gz XRXFZYVHDOYBLP-HKUYNNGSSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300758868 1067293488 /nfs/dbraw/zinc/29/34/88/1067293488.db2.gz XRXFZYVHDOYBLP-PKOBYXMFSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300758898 1067293527 /nfs/dbraw/zinc/29/35/27/1067293527.db2.gz YHRFNPVUQNIQRD-FUHWJXTLSA-N 1 0 479.448 4.015 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001352132205 1067295863 /nfs/dbraw/zinc/29/58/63/1067295863.db2.gz KUTKXIPLEYVXFG-UHFFFAOYSA-N 1 0 452.574 4.495 20 0 JIADRO CCCN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352178281 1067306592 /nfs/dbraw/zinc/30/65/92/1067306592.db2.gz ZUBONDASDCMCAU-NRFANRHFSA-N 1 0 455.002 4.386 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCC(C)CC2)C1 ZINC001300764866 1067306566 /nfs/dbraw/zinc/30/65/66/1067306566.db2.gz XELLHUKZSBFXQZ-SFHVURJKSA-N 1 0 480.426 4.194 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC001322768500 1067308737 /nfs/dbraw/zinc/30/87/37/1067308737.db2.gz HKFFRIVQASYOTO-HOTGVXAUSA-N 1 0 477.399 4.006 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492579132 1067311810 /nfs/dbraw/zinc/31/18/10/1067311810.db2.gz DNKHOFUCTIWVBU-HOFKKMOUSA-N 1 0 469.674 4.070 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492579343 1067313821 /nfs/dbraw/zinc/31/38/21/1067313821.db2.gz INKYYWFBHZNZFH-XUZZJYLKSA-N 1 0 496.700 4.401 20 0 JIADRO O=C(c1cc(Br)cnc1Br)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001354985134 1067317914 /nfs/dbraw/zinc/31/79/14/1067317914.db2.gz UQRLDNWGRDXWKS-CQSZACIVSA-N 1 0 451.162 4.231 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300772753 1067323155 /nfs/dbraw/zinc/32/31/55/1067323155.db2.gz MEBGUCMIRUHQLZ-OFNKIYASSA-N 1 0 476.065 4.494 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300772754 1067323232 /nfs/dbraw/zinc/32/32/32/1067323232.db2.gz MEBGUCMIRUHQLZ-REWPJTCUSA-N 1 0 476.065 4.494 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300777208 1067331114 /nfs/dbraw/zinc/33/11/14/1067331114.db2.gz XXJNEJVZMLUTJA-QFIPXVFZSA-N 1 0 460.692 4.007 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(Br)cn3ccnc23)[NH+]2CCCCC2)cc1 ZINC001352319033 1067331514 /nfs/dbraw/zinc/33/15/14/1067331514.db2.gz VVEWWDXULHLSSN-FQEVSTJZSA-N 1 0 457.372 4.062 20 0 JIADRO COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nn3C3CC[NH+](C)CC3)s2)cc1OC ZINC001355006001 1067333267 /nfs/dbraw/zinc/33/32/67/1067333267.db2.gz OXCOIIAQQHXEIJ-UHFFFAOYSA-N 1 0 455.584 4.160 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300000394 1067335936 /nfs/dbraw/zinc/33/59/36/1067335936.db2.gz CFWJODBSLFCWSK-GJZGRUSLSA-N 1 0 493.475 4.363 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492497297 1067336313 /nfs/dbraw/zinc/33/63/13/1067336313.db2.gz SHUDEYWCLAJQEO-FQEVSTJZSA-N 1 0 497.688 4.216 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001300782039 1067337861 /nfs/dbraw/zinc/33/78/61/1067337861.db2.gz GHBMQCKREUMLGQ-UHFFFAOYSA-N 1 0 478.641 4.053 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC001300001349 1067338888 /nfs/dbraw/zinc/33/88/88/1067338888.db2.gz WQBNRYQNWSGWDP-XMMPIXPASA-N 1 0 495.672 4.151 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC(F)F)CC1 ZINC001300782478 1067339599 /nfs/dbraw/zinc/33/95/99/1067339599.db2.gz MWNZPGRYFAHDCW-UHFFFAOYSA-N 1 0 489.409 4.017 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492497810 1067339835 /nfs/dbraw/zinc/33/98/35/1067339835.db2.gz JGWAKCGLDBJIGS-HSZRJFAPSA-N 1 0 489.668 4.461 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3c[nH]c4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001300783122 1067340534 /nfs/dbraw/zinc/34/05/34/1067340534.db2.gz ULQZYSJZCXWTEV-UHFFFAOYSA-N 1 0 464.536 4.314 20 0 JIADRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001200002785 1067340658 /nfs/dbraw/zinc/34/06/58/1067340658.db2.gz YQJQJVFSIPUWMM-UHFFFAOYSA-N 1 0 453.583 4.366 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1C ZINC001200003124 1067341166 /nfs/dbraw/zinc/34/11/66/1067341166.db2.gz JFNRXSULADPWSQ-UHFFFAOYSA-N 1 0 458.628 4.310 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001492553106 1067342701 /nfs/dbraw/zinc/34/27/01/1067342701.db2.gz GCZNAJKFPZIMSP-UHFFFAOYSA-N 1 0 480.701 4.448 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300002522 1067343514 /nfs/dbraw/zinc/34/35/14/1067343514.db2.gz ONRWSXKWFUCXIW-SFTDATJTSA-N 1 0 478.641 4.362 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300002521 1067343575 /nfs/dbraw/zinc/34/35/75/1067343575.db2.gz ONRWSXKWFUCXIW-OYRHEFFESA-N 1 0 478.641 4.362 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001300784702 1067344667 /nfs/dbraw/zinc/34/46/67/1067344667.db2.gz DLOAGODJXZPPJP-UNMCSNQZSA-N 1 0 461.695 4.467 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001300784893 1067344940 /nfs/dbraw/zinc/34/49/40/1067344940.db2.gz GVHVLTZWMHDPNZ-QGZVFWFLSA-N 1 0 482.645 4.005 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001300786542 1067349050 /nfs/dbraw/zinc/34/90/50/1067349050.db2.gz QSULUCSFBYHGNG-DEOSSOPVSA-N 1 0 487.664 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001300786766 1067349818 /nfs/dbraw/zinc/34/98/18/1067349818.db2.gz PUKJTNKFCWSYKA-UHFFFAOYSA-N 1 0 499.700 4.449 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001300786852 1067350349 /nfs/dbraw/zinc/35/03/49/1067350349.db2.gz VKKRNUYHJBQPAC-XZOQPEGZSA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Nc3cnn(C)c3)nnc2[C@H](C)Oc2cccc(C)c2C)CC1 ZINC001300787342 1067350770 /nfs/dbraw/zinc/35/07/70/1067350770.db2.gz SUHQSWPRMIACKN-FQEVSTJZSA-N 1 0 481.645 4.401 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300010628 1067363242 /nfs/dbraw/zinc/36/32/42/1067363242.db2.gz MNKRYGSGRQTLJH-FQEVSTJZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300010744 1067363651 /nfs/dbraw/zinc/36/36/51/1067363651.db2.gz OLAYBKCRLVQEGF-ICSRJNTNSA-N 1 0 485.654 4.190 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001352380684 1067365443 /nfs/dbraw/zinc/36/54/43/1067365443.db2.gz FBENTKPXFUPCIJ-UHFFFAOYSA-N 1 0 458.360 4.003 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCc4cccc(Cl)c4)c3)cn2)CC1 ZINC001352380371 1067365457 /nfs/dbraw/zinc/36/54/57/1067365457.db2.gz DHCMKDVAEDWIPE-UHFFFAOYSA-N 1 0 450.970 4.247 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300012497 1067367529 /nfs/dbraw/zinc/36/75/29/1067367529.db2.gz ZKFHTLMTNPUNDF-PMACEKPBSA-N 1 0 473.662 4.332 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001492580725 1067375309 /nfs/dbraw/zinc/37/53/09/1067375309.db2.gz MCLLIXOUJVXWCM-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492580717 1067375350 /nfs/dbraw/zinc/37/53/50/1067375350.db2.gz LUOLTMMVXAZCIZ-SANMLTNESA-N 1 0 494.728 4.383 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300018522 1067381654 /nfs/dbraw/zinc/38/16/54/1067381654.db2.gz INFCWTFJVKKEEA-HXUWFJFHSA-N 1 0 485.673 4.477 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001492581357 1067383028 /nfs/dbraw/zinc/38/30/28/1067383028.db2.gz DSWZSWGTVWJQHB-UHFFFAOYSA-N 1 0 482.673 4.157 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300022047 1067386854 /nfs/dbraw/zinc/38/68/54/1067386854.db2.gz PKOPMDOVNWNQNJ-HOTGVXAUSA-N 1 0 450.425 4.149 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC(=O)N1CCCCC1 ZINC001492581716 1067390465 /nfs/dbraw/zinc/39/04/65/1067390465.db2.gz OQSQCENOMFZXQY-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC001355288867 1067406492 /nfs/dbraw/zinc/40/64/92/1067406492.db2.gz ZJGXHHVOTWWEIN-UHFFFAOYSA-N 1 0 457.622 4.466 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001300031770 1067423207 /nfs/dbraw/zinc/42/32/07/1067423207.db2.gz BBJMOUSLYAKCNP-SWHJIRTISA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300032860 1067428715 /nfs/dbraw/zinc/42/87/15/1067428715.db2.gz GHYLEVXVEJYPSN-UUOWRZLLSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001300033000 1067430424 /nfs/dbraw/zinc/43/04/24/1067430424.db2.gz KHRVBPRIFPAVNN-SJORKVTESA-N 1 0 494.503 4.247 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001492582133 1067438816 /nfs/dbraw/zinc/43/88/16/1067438816.db2.gz YDZVMXYUAUPKHY-QFIPXVFZSA-N 1 0 498.716 4.458 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300037561 1067448634 /nfs/dbraw/zinc/44/86/34/1067448634.db2.gz AYJHLRKCRDOSML-QHCPKHFHSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C4CC4)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300038947 1067453734 /nfs/dbraw/zinc/45/37/34/1067453734.db2.gz TUZMVAQRBXKCTG-SFHVURJKSA-N 1 0 462.436 4.293 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300041552 1067471986 /nfs/dbraw/zinc/47/19/86/1067471986.db2.gz ITLOTRBBTPTDFC-UHFFFAOYSA-N 1 0 463.573 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[NH+]2CCCCC2)c(OC)c1 ZINC001300041793 1067475520 /nfs/dbraw/zinc/47/55/20/1067475520.db2.gz OCHDOCGELOGZNF-UHFFFAOYSA-N 1 0 463.573 4.462 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300045437 1067492783 /nfs/dbraw/zinc/49/27/83/1067492783.db2.gz FYAATZPVXXICHM-SFHVURJKSA-N 1 0 481.563 4.112 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300045733 1067494988 /nfs/dbraw/zinc/49/49/88/1067494988.db2.gz PIZJXVCBVVXRTA-UHFFFAOYSA-N 1 0 485.673 4.237 20 0 JIADRO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355529402 1067500506 /nfs/dbraw/zinc/50/05/06/1067500506.db2.gz HYKXPWHVSOYQSI-HXUWFJFHSA-N 1 0 458.393 4.370 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300049921 1067507126 /nfs/dbraw/zinc/50/71/26/1067507126.db2.gz LWYAITNKLQEXEJ-HKUYNNGSSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001300051058 1067513337 /nfs/dbraw/zinc/51/33/37/1067513337.db2.gz WYVJNBAEIKRTIJ-SJLPKXTDSA-N 1 0 467.536 4.225 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300051221 1067514112 /nfs/dbraw/zinc/51/41/12/1067514112.db2.gz DSSNTBZLMCUHEU-FNZWTVRRSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300051183 1067514172 /nfs/dbraw/zinc/51/41/72/1067514172.db2.gz DBRQWJZCPQLENO-RXFWQSSRSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300051317 1067514494 /nfs/dbraw/zinc/51/44/94/1067514494.db2.gz YFZGNKRODKHWOR-LJQANCHMSA-N 1 0 481.563 4.473 20 0 JIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2)cc1 ZINC001352553408 1067517541 /nfs/dbraw/zinc/51/75/41/1067517541.db2.gz HXYOKLNDLAJPQK-MHZLTWQESA-N 1 0 457.574 4.400 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300051630 1067517650 /nfs/dbraw/zinc/51/76/50/1067517650.db2.gz LLXOSXQGBGPMAU-FQRUVTKNSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300052596 1067523205 /nfs/dbraw/zinc/52/32/05/1067523205.db2.gz CEGWYBWHSQYLMQ-DHIUTWEWSA-N 1 0 496.700 4.207 20 0 JIADRO O=C(NCc1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001355608250 1067525727 /nfs/dbraw/zinc/52/57/27/1067525727.db2.gz JXHZEZUFVFBZJN-XZOQPEGZSA-N 1 0 450.380 4.376 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300053857 1067528507 /nfs/dbraw/zinc/52/85/07/1067528507.db2.gz LNSGMISTGIMBIQ-QFIPXVFZSA-N 1 0 496.700 4.208 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300055005 1067534236 /nfs/dbraw/zinc/53/42/36/1067534236.db2.gz APVVQVYHFFNHJS-AEFFLSMTSA-N 1 0 494.478 4.450 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](n4cc(C)cn4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300056373 1067540600 /nfs/dbraw/zinc/54/06/00/1067540600.db2.gz NFSWTNCIGLLDFZ-QHCPKHFHSA-N 1 0 465.646 4.419 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300056407 1067541288 /nfs/dbraw/zinc/54/12/88/1067541288.db2.gz NUFBFOLFRGTISC-IFMALSPDSA-N 1 0 498.672 4.274 20 0 JIADRO COC(=O)/C=C\c1ccc(OC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001352580256 1067552757 /nfs/dbraw/zinc/55/27/57/1067552757.db2.gz MDXIMKLOEFMZFK-IFMUVIIVSA-N 1 0 453.535 4.354 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300060060 1067557466 /nfs/dbraw/zinc/55/74/66/1067557466.db2.gz SNOTYRUDWLIYBU-HXUWFJFHSA-N 1 0 459.660 4.026 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492584259 1067559145 /nfs/dbraw/zinc/55/91/45/1067559145.db2.gz HBBQZDGYLAWMMI-ISKFKSNPSA-N 1 0 496.700 4.497 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492584002 1067567877 /nfs/dbraw/zinc/56/78/77/1067567877.db2.gz AVRZLQPTYIOTGR-OFNKIYASSA-N 1 0 497.631 4.162 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c(OC)c1 ZINC001300062188 1067568820 /nfs/dbraw/zinc/56/88/20/1067568820.db2.gz AWXSBQYSWOALNZ-NHCUHLMSSA-N 1 0 471.646 4.088 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1 ZINC001352615354 1067581522 /nfs/dbraw/zinc/58/15/22/1067581522.db2.gz DACUSAXCGHNEBE-GBXCKJPGSA-N 1 0 457.640 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC2CCCCC2)c(OC)c1 ZINC001300068361 1067585657 /nfs/dbraw/zinc/58/56/57/1067585657.db2.gz KKFQNKBTMUNPEV-UHFFFAOYSA-N 1 0 471.646 4.232 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843446 1067590686 /nfs/dbraw/zinc/59/06/86/1067590686.db2.gz ZNAJCMQASWEPQE-HTAPYJJXSA-N 1 0 453.384 4.259 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001300076154 1067602974 /nfs/dbraw/zinc/60/29/74/1067602974.db2.gz RNEGVRDXLHDOMV-RBBKRZOGSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300076535 1067604016 /nfs/dbraw/zinc/60/40/16/1067604016.db2.gz HJCPKJNJJNAURQ-XZOQPEGZSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCOC2CCOCC2)cc1 ZINC001300077246 1067606622 /nfs/dbraw/zinc/60/66/22/1067606622.db2.gz ZTTCDGHQBQGHDI-UHFFFAOYSA-N 1 0 485.673 4.098 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300077798 1067608609 /nfs/dbraw/zinc/60/86/09/1067608609.db2.gz BEWMMDNSJIKVDJ-FQEVSTJZSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001300077960 1067610308 /nfs/dbraw/zinc/61/03/08/1067610308.db2.gz DFOAQOXBLTUYOO-CCLHPLFOSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c(OC)c1 ZINC001300079778 1067615379 /nfs/dbraw/zinc/61/53/79/1067615379.db2.gz RCZVUKIMMSKGID-RUZDIDTESA-N 1 0 471.646 4.088 20 0 JIADRO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CCCN(C(=S)Nc3cccc4ccccc43)C2)C1 ZINC001200102269 1067619606 /nfs/dbraw/zinc/61/96/06/1067619606.db2.gz QEAPZQPQJRRANQ-FQEVSTJZSA-N 1 0 454.640 4.458 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001355970907 1067621618 /nfs/dbraw/zinc/62/16/18/1067621618.db2.gz FKYQRDPZLRUDPE-KPKJPENVSA-N 1 0 458.484 4.161 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300085407 1067627834 /nfs/dbraw/zinc/62/78/34/1067627834.db2.gz UOSHDGSMYYHMLB-OAQYLSRUSA-N 1 0 475.728 4.359 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300088816 1067638449 /nfs/dbraw/zinc/63/84/49/1067638449.db2.gz LAPBEBFZPXPWEN-IRLDBZIGSA-N 1 0 498.672 4.178 20 0 JIADRO CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1 ZINC001200108341 1067640085 /nfs/dbraw/zinc/64/00/85/1067640085.db2.gz XGZRZWIZMGWHLO-UHFFFAOYSA-N 1 0 450.583 4.473 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300089787 1067642350 /nfs/dbraw/zinc/64/23/50/1067642350.db2.gz QZELPOZLYABVKZ-IPMKNSEASA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300090543 1067646321 /nfs/dbraw/zinc/64/63/21/1067646321.db2.gz WHMGMZOQOWWSBK-DYESRHJHSA-N 1 0 459.660 4.024 20 0 JIADRO Cc1c(=O)n(C)c2ccccc2c1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720360 1067652267 /nfs/dbraw/zinc/65/22/67/1067652267.db2.gz VDKIWEUQBDFWDW-UHFFFAOYSA-N 1 0 457.496 4.214 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300094115 1067655268 /nfs/dbraw/zinc/65/52/68/1067655268.db2.gz FNGCYPFPQHIHLR-XZOQPEGZSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cccn3C)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300095432 1067658928 /nfs/dbraw/zinc/65/89/28/1067658928.db2.gz VNQFJKDGVKXNHF-FQEVSTJZSA-N 1 0 466.630 4.230 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC001300096513 1067660946 /nfs/dbraw/zinc/66/09/46/1067660946.db2.gz KFAZISXHWLCRLS-KCZVDYSFSA-N 1 0 469.674 4.466 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300097270 1067663266 /nfs/dbraw/zinc/66/32/66/1067663266.db2.gz AJCZAUMSVOBXFX-QFIPXVFZSA-N 1 0 499.700 4.461 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ncc(Br)cc1Br ZINC001356140180 1067670120 /nfs/dbraw/zinc/67/01/20/1067670120.db2.gz PKDFFYXPMSKRDG-UHFFFAOYSA-N 1 0 453.178 4.497 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300099477 1067670740 /nfs/dbraw/zinc/67/07/40/1067670740.db2.gz XSBDBAXHONCDOK-HSZRJFAPSA-N 1 0 464.614 4.347 20 0 JIADRO COc1ccc(C2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCSCC3)CC2)cc1 ZINC001300100952 1067676349 /nfs/dbraw/zinc/67/63/49/1067676349.db2.gz ZBILOOZZMDQWNU-UHFFFAOYSA-N 1 0 457.688 4.308 20 0 JIADRO Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)n2)ccc1F ZINC001356227836 1067699361 /nfs/dbraw/zinc/69/93/61/1067699361.db2.gz HNOVTWNPGFDWGF-GOSISDBHSA-N 1 0 451.546 4.206 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300113731 1067719442 /nfs/dbraw/zinc/71/94/42/1067719442.db2.gz HTLRPUHKEHKMSS-YADHBBJMSA-N 1 0 469.674 4.340 20 0 JIADRO C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC001200135682 1067725980 /nfs/dbraw/zinc/72/59/80/1067725980.db2.gz FIFAQPUAUQRUJH-MRXNPFEDSA-N 1 0 454.468 4.347 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC001356352375 1067733146 /nfs/dbraw/zinc/73/31/46/1067733146.db2.gz MCJUJFOGCWEULS-FQEVSTJZSA-N 1 0 453.606 4.090 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300120031 1067735494 /nfs/dbraw/zinc/73/54/94/1067735494.db2.gz DIPBKUBRIFMPBV-WNCULLNHSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300120258 1067736747 /nfs/dbraw/zinc/73/67/47/1067736747.db2.gz GMKXUMFECUIULP-NLFFAJNJSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300120486 1067737316 /nfs/dbraw/zinc/73/73/16/1067737316.db2.gz QWARSKFETSYFEY-ATIYNZHBSA-N 1 0 469.674 4.100 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCSC2)cc1 ZINC001300122743 1067742305 /nfs/dbraw/zinc/74/23/05/1067742305.db2.gz IRNPPCQBXHVCBN-OAQYLSRUSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300126903 1067756443 /nfs/dbraw/zinc/75/64/43/1067756443.db2.gz WJUUOORLAGTRNZ-VXKWHMMOSA-N 1 0 483.701 4.444 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1 ZINC001352842971 1067761280 /nfs/dbraw/zinc/76/12/80/1067761280.db2.gz RNCVWCDHJFOANT-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO CCn1c(SCC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493816 1067763989 /nfs/dbraw/zinc/76/39/89/1067763989.db2.gz COELTFMKVWEDAN-ICSRJNTNSA-N 1 0 453.612 4.067 20 0 JIADRO O=C(Cc1cnn(-c2ccccc2)n1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001352861478 1067771865 /nfs/dbraw/zinc/77/18/65/1067771865.db2.gz IKKXJQDNVCMVPU-UHFFFAOYSA-N 1 0 458.393 4.241 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001352867788 1067775216 /nfs/dbraw/zinc/77/52/16/1067775216.db2.gz BNFIMRIVLRZNRS-UHFFFAOYSA-N 1 0 454.308 4.056 20 0 JIADRO COc1ccc(CCNC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC ZINC000849066219 1067795597 /nfs/dbraw/zinc/79/55/97/1067795597.db2.gz JBLMUONXAIQHIE-UHFFFAOYSA-N 1 0 465.516 4.127 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000849067536 1067795904 /nfs/dbraw/zinc/79/59/04/1067795904.db2.gz KZKKIKSNBHKHGZ-ZDUSSCGKSA-N 1 0 457.427 4.445 20 0 JIADRO C[C@H](NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000849075102 1067797570 /nfs/dbraw/zinc/79/75/70/1067797570.db2.gz NLWLVVYHASKJGL-HNNXBMFYSA-N 1 0 469.438 4.269 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492584408 1067797772 /nfs/dbraw/zinc/79/77/72/1067797772.db2.gz KIIANWRLUVZQLH-DEOSSOPVSA-N 1 0 494.728 4.430 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300156821 1067813271 /nfs/dbraw/zinc/81/32/71/1067813271.db2.gz FRLLFYUVGQPFHU-HSZRJFAPSA-N 1 0 491.640 4.081 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC(F)F ZINC001300161151 1067816360 /nfs/dbraw/zinc/81/63/60/1067816360.db2.gz TYQVAMIRAOAAON-KRWDZBQOSA-N 1 0 451.562 4.380 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)Cc3cccc(OC(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC001300162109 1067817205 /nfs/dbraw/zinc/81/72/05/1067817205.db2.gz GCPKVVNKBRYCQW-HDICACEKSA-N 1 0 450.501 4.396 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300162749 1067818420 /nfs/dbraw/zinc/81/84/20/1067818420.db2.gz RNNZQBZACJHCHJ-HSZRJFAPSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001300164347 1067821526 /nfs/dbraw/zinc/82/15/26/1067821526.db2.gz PXGMOQBIHDBMRR-UHFFFAOYSA-N 1 0 453.587 4.376 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1F ZINC001300164188 1067821536 /nfs/dbraw/zinc/82/15/36/1067821536.db2.gz JUDXSOQTRZIQRK-LJQANCHMSA-N 1 0 452.578 4.245 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300164540 1067822064 /nfs/dbraw/zinc/82/20/64/1067822064.db2.gz TXVOJJMXLCXIPC-KCWPFWIISA-N 1 0 485.673 4.084 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492584892 1067823330 /nfs/dbraw/zinc/82/33/30/1067823330.db2.gz UXKAWFLTLMOKDB-VTZPFEBOSA-N 1 0 494.728 4.429 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cccc(OCC(F)F)n1)c1cccc(Br)c1 ZINC001357248837 1067824826 /nfs/dbraw/zinc/82/48/26/1067824826.db2.gz VINQQLGCRWDKKL-UHFFFAOYSA-N 1 0 456.331 4.477 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cccc(Cn2ccnn2)c1)c1cccc(Br)c1 ZINC001357257630 1067826914 /nfs/dbraw/zinc/82/69/14/1067826914.db2.gz SZFCKEOCUUAJHC-UHFFFAOYSA-N 1 0 456.388 4.078 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cnc(OCc3ccccc3)cn2)cc1 ZINC001357344884 1067836861 /nfs/dbraw/zinc/83/68/61/1067836861.db2.gz DLRRCHPYTUOKMA-UHFFFAOYSA-N 1 0 459.550 4.122 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300176805 1067837866 /nfs/dbraw/zinc/83/78/66/1067837866.db2.gz GFYKLPZGAPWQPB-HXUWFJFHSA-N 1 0 469.655 4.076 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001357364536 1067839419 /nfs/dbraw/zinc/83/94/19/1067839419.db2.gz CXQLNWOQGDYMRP-LEWJYISDSA-N 1 0 459.631 4.459 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300179844 1067842918 /nfs/dbraw/zinc/84/29/18/1067842918.db2.gz ZQGHXHHHYZZKFL-JOCHJYFZSA-N 1 0 457.619 4.048 20 0 JIADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC001357390883 1067843041 /nfs/dbraw/zinc/84/30/41/1067843041.db2.gz VAYHLTLEFXVWNO-DEOSSOPVSA-N 1 0 451.636 4.486 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC001300181448 1067844105 /nfs/dbraw/zinc/84/41/05/1067844105.db2.gz FNSKKQJYPGESML-QHCPKHFHSA-N 1 0 455.647 4.110 20 0 JIADRO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279367 1067857230 /nfs/dbraw/zinc/85/72/30/1067857230.db2.gz XLTZWSWRMWZQOK-NHCUHLMSSA-N 1 0 451.394 4.061 20 0 JIADRO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279368 1067857283 /nfs/dbraw/zinc/85/72/83/1067857283.db2.gz XLTZWSWRMWZQOK-RTWAWAEBSA-N 1 0 451.394 4.061 20 0 JIADRO COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1F ZINC001300192350 1067857945 /nfs/dbraw/zinc/85/79/45/1067857945.db2.gz ZNLTUCKLAGXYGP-UHFFFAOYSA-N 1 0 491.409 4.152 20 0 JIADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001473279968 1067861863 /nfs/dbraw/zinc/86/18/63/1067861863.db2.gz USINXPWZBXPNOL-PKOBYXMFSA-N 1 0 452.437 4.349 20 0 JIADRO CCCN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512434 1067862041 /nfs/dbraw/zinc/86/20/41/1067862041.db2.gz OTCGZGGVVFOBOY-DEOSSOPVSA-N 1 0 451.586 4.398 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200221980 1067864003 /nfs/dbraw/zinc/86/40/03/1067864003.db2.gz NNMXDOUEZLMVRA-WOJBJXKFSA-N 1 0 475.456 4.133 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)n3)cc2Cl)CC1 ZINC001357552698 1067868800 /nfs/dbraw/zinc/86/88/00/1067868800.db2.gz QCNWXVLQIKGEHL-UHFFFAOYSA-N 1 0 459.381 4.358 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3-n3cncn3)cc2Cl)CC1 ZINC001357552526 1067868904 /nfs/dbraw/zinc/86/89/04/1067868904.db2.gz PCAJVEQWWAVKHU-UHFFFAOYSA-N 1 0 459.381 4.358 20 0 JIADRO COc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cccc1C(N)=O ZINC001357573090 1067872342 /nfs/dbraw/zinc/87/23/42/1067872342.db2.gz BQYBBANWNIBTGK-FCHUYYIVSA-N 1 0 463.965 4.302 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492557900 1067873719 /nfs/dbraw/zinc/87/37/19/1067873719.db2.gz ARADJUPCHMCUJF-SFHVURJKSA-N 1 0 486.596 4.111 20 0 JIADRO CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001357607581 1067876647 /nfs/dbraw/zinc/87/66/47/1067876647.db2.gz CEFUJFVAVPCXRF-GMAHTHKFSA-N 1 0 451.636 4.275 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492558740 1067882419 /nfs/dbraw/zinc/88/24/19/1067882419.db2.gz FJASUIDJXGVOOE-VXKWHMMOSA-N 1 0 469.674 4.394 20 0 JIADRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3csc(COc4ccccc4)n3)CCCCC2)CCO1 ZINC001353168410 1067887251 /nfs/dbraw/zinc/88/72/51/1067887251.db2.gz XUMFJGNJUPFSNW-UHFFFAOYSA-N 1 0 457.640 4.195 20 0 JIADRO COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC([NH2+]C(C)C)CC2)c(OC)c1OC ZINC001300221117 1067892341 /nfs/dbraw/zinc/89/23/41/1067892341.db2.gz IUHALJGUABRQCD-UHFFFAOYSA-N 1 0 471.646 4.052 20 0 JIADRO COc1ccc(Cn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2C(C)(C)C)cc1OC(F)F ZINC001300229243 1067899816 /nfs/dbraw/zinc/89/98/16/1067899816.db2.gz MKNNLSSVEJUTHH-UHFFFAOYSA-N 1 0 451.562 4.154 20 0 JIADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001357821375 1067911320 /nfs/dbraw/zinc/91/13/20/1067911320.db2.gz CQBMSAWXADIBKG-UHFFFAOYSA-N 1 0 456.388 4.179 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)F)cc1 ZINC001357862828 1067924170 /nfs/dbraw/zinc/92/41/70/1067924170.db2.gz VJMIKOZMOGETMO-UHFFFAOYSA-N 1 0 455.509 4.134 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)cc2)C[C@@H]1C ZINC001357904849 1067936888 /nfs/dbraw/zinc/93/68/88/1067936888.db2.gz LRIUMTOLTSUKDA-ABMRFVCESA-N 1 0 450.623 4.102 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(Br)ncc2Cl)ccc1OC ZINC001357931627 1067947964 /nfs/dbraw/zinc/94/79/64/1067947964.db2.gz UZGHXYLKGYNHPB-UHFFFAOYSA-N 1 0 456.768 4.479 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492560482 1067953420 /nfs/dbraw/zinc/95/34/20/1067953420.db2.gz KSGRWUKIUNEUOE-IRLDBZIGSA-N 1 0 482.673 4.477 20 0 JIADRO COc1ccc(F)cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300241838 1067954641 /nfs/dbraw/zinc/95/46/41/1067954641.db2.gz XLLGSZWLRIACMA-UHFFFAOYSA-N 1 0 458.969 4.110 20 0 JIADRO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960744 1067960479 /nfs/dbraw/zinc/96/04/79/1067960479.db2.gz YLBTZJUMEQCNBF-RDGATRHJSA-N 1 0 457.565 4.435 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001300244874 1067963579 /nfs/dbraw/zinc/96/35/79/1067963579.db2.gz ATEFIUSJEUNBLR-UHFFFAOYSA-N 1 0 486.680 4.168 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C3CCCC3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001300244956 1067964216 /nfs/dbraw/zinc/96/42/16/1067964216.db2.gz DBWMHJDNWYRQQO-OAQYLSRUSA-N 1 0 499.553 4.373 20 0 JIADRO CCc1nc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001358004710 1067981652 /nfs/dbraw/zinc/98/16/52/1067981652.db2.gz ZFSWHHIFSPHSIP-UHFFFAOYSA-N 1 0 450.414 4.475 20 0 JIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358028827 1067992060 /nfs/dbraw/zinc/99/20/60/1067992060.db2.gz NFRBMYAPEWFGDT-QGZVFWFLSA-N 1 0 451.542 4.255 20 0 JIADRO Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358039236 1068000723 /nfs/dbraw/zinc/00/07/23/1068000723.db2.gz LKEIIJNWIUKOJD-MHECFPHRSA-N 1 0 455.965 4.028 20 0 JIADRO CCc1cc2c(CC(=O)Nc3ccc(CC[NH+]4CCC(C(N)=O)CC4)cc3)csc2s1 ZINC001358072619 1068009986 /nfs/dbraw/zinc/00/99/86/1068009986.db2.gz ONBJCAAIVSLSPF-UHFFFAOYSA-N 1 0 455.649 4.446 20 0 JIADRO COc1ccc(OC)c(CCCn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001300254474 1068011417 /nfs/dbraw/zinc/01/14/17/1068011417.db2.gz RMWYKKSGBZGQAR-UHFFFAOYSA-N 1 0 469.655 4.111 20 0 JIADRO CN(c1ccc(NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1)C1CC[NH+](C)CC1 ZINC001358115255 1068022375 /nfs/dbraw/zinc/02/23/75/1068022375.db2.gz ADYGGMJJESRLOY-UHFFFAOYSA-N 1 0 453.583 4.190 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300263950 1068031454 /nfs/dbraw/zinc/03/14/54/1068031454.db2.gz CAJHHKCEXMFQSY-PCCBWWKXSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300267385 1068039882 /nfs/dbraw/zinc/03/98/82/1068039882.db2.gz AQNZJFIJIMUQCY-XUZZJYLKSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001300269160 1068044331 /nfs/dbraw/zinc/04/43/31/1068044331.db2.gz HZDVUYZUPIIMAA-QFIPXVFZSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300269486 1068045785 /nfs/dbraw/zinc/04/57/85/1068045785.db2.gz NMRCDSMZCPLZLC-JOCHJYFZSA-N 1 0 498.716 4.012 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc(I)cc1 ZINC001353346053 1068051362 /nfs/dbraw/zinc/05/13/62/1068051362.db2.gz RDNQAQZJYOKISH-UHFFFAOYSA-N 1 0 452.336 4.193 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492564326 1068052371 /nfs/dbraw/zinc/05/23/71/1068052371.db2.gz DVZOICYBFJWAFM-QHCPKHFHSA-N 1 0 466.674 4.115 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@H](C)SC)cc1 ZINC001300280244 1068070226 /nfs/dbraw/zinc/07/02/26/1068070226.db2.gz FWSWKEXIHQAEPW-LJQANCHMSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300284260 1068080496 /nfs/dbraw/zinc/08/04/96/1068080496.db2.gz UPHRUIYOSAYEGC-BGYRXZFFSA-N 1 0 477.600 4.469 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300284700 1068081513 /nfs/dbraw/zinc/08/15/13/1068081513.db2.gz LFJKTPDUTIWQSF-PQNGQFLHSA-N 1 0 485.673 4.378 20 0 JIADRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(OC)c1OC ZINC001358399520 1068082448 /nfs/dbraw/zinc/08/24/48/1068082448.db2.gz VWIALEAIRAJSGR-FGZHOGPDSA-N 1 0 480.630 4.348 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300286465 1068085878 /nfs/dbraw/zinc/08/58/78/1068085878.db2.gz WOCJRPAAOJUTQC-FQEVSTJZSA-N 1 0 473.687 4.320 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438507 1068091117 /nfs/dbraw/zinc/09/11/17/1068091117.db2.gz KBLDKFNDVLQULM-GUYCJALGSA-N 1 0 452.190 4.462 20 0 JIADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001358449333 1068094548 /nfs/dbraw/zinc/09/45/48/1068094548.db2.gz KTANHRHGYCKASU-DSNGMDLFSA-N 1 0 480.653 4.353 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC001358457511 1068095742 /nfs/dbraw/zinc/09/57/42/1068095742.db2.gz YOUFSALSNFGYNH-HXUWFJFHSA-N 1 0 452.574 4.495 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300304100 1068153919 /nfs/dbraw/zinc/15/39/19/1068153919.db2.gz FCHDLTRFKLICNI-WAOWUJCRSA-N 1 0 481.563 4.232 20 0 JIADRO COc1ccc(CNC(=S)NCC2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC001200368063 1068263455 /nfs/dbraw/zinc/26/34/55/1068263455.db2.gz LGNXOQKRMUDGQN-UHFFFAOYSA-N 1 0 462.457 4.334 20 0 JIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@H]3C[C@H](NC(=O)OC(C)(C)C)C3(C)C)cs2)cc1 ZINC001473597676 1068263556 /nfs/dbraw/zinc/26/35/56/1068263556.db2.gz MHNUPXILAYYUDQ-OALUTQOASA-N 1 0 458.628 4.414 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1nnc(Cc2ccccc2)s1)[NH+]1CCCCC1 ZINC000613115797 1068281369 /nfs/dbraw/zinc/28/13/69/1068281369.db2.gz KHAHBWYRKLPIHS-HXUWFJFHSA-N 1 0 451.596 4.486 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)[NH+]2CCCC2)c1 ZINC001300334399 1068301024 /nfs/dbraw/zinc/30/10/24/1068301024.db2.gz HGWQLBRIIHWZLY-JRGCBEDISA-N 1 0 481.563 4.403 20 0 JIADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300334629 1068302701 /nfs/dbraw/zinc/30/27/01/1068302701.db2.gz HTWZVOCCBUZTIL-ZEYPLWLESA-N 1 0 486.661 4.028 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001300335212 1068305449 /nfs/dbraw/zinc/30/54/49/1068305449.db2.gz OCQQAEAMSFZLIH-HSZRJFAPSA-N 1 0 468.690 4.100 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)[NH+](C)C)c1 ZINC001300338942 1068318059 /nfs/dbraw/zinc/31/80/59/1068318059.db2.gz FNWGOFOPRAMNPS-ISKFKSNPSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@H](C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300340514 1068323785 /nfs/dbraw/zinc/32/37/85/1068323785.db2.gz MEBKACDURSMNFZ-RCSBWOJUSA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H]2CCSC2)[NH+](C)C)c1 ZINC001300340736 1068324312 /nfs/dbraw/zinc/32/43/12/1068324312.db2.gz OHBXHQJCNDDDLA-FCJDFRRUSA-N 1 0 487.714 4.450 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300340851 1068325105 /nfs/dbraw/zinc/32/51/05/1068325105.db2.gz PVUSASGCMJEXFN-HXUWFJFHSA-N 1 0 451.537 4.465 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCCO)CC2)[NH+](C)C)c1 ZINC001300340808 1068325522 /nfs/dbraw/zinc/32/55/22/1068325522.db2.gz PAZPMIWAVKGUNF-HSZRJFAPSA-N 1 0 457.663 4.167 20 0 JIADRO COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)C2CCCCC2)[NH+](C)C)c1 ZINC001300341101 1068326195 /nfs/dbraw/zinc/32/61/95/1068326195.db2.gz QIVNEMKUFKXXCB-GBXCKJPGSA-N 1 0 482.673 4.117 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N(C)C[C@@H]2CCCCO2)[NH+](C)C)c1 ZINC001300341858 1068329604 /nfs/dbraw/zinc/32/96/04/1068329604.db2.gz TXLPBJYNLULIMS-BJKOFHAPSA-N 1 0 455.647 4.328 20 0 JIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001200384408 1068342291 /nfs/dbraw/zinc/34/22/91/1068342291.db2.gz YKHCALIQIIFAFR-QHCPKHFHSA-N 1 0 452.599 4.274 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccc4c(c2)OCO4)CC3)n1 ZINC000523446502 1068344909 /nfs/dbraw/zinc/34/49/09/1068344909.db2.gz QGKXVUKDEFGSKO-XDJHFCHBSA-N 1 0 481.556 4.461 20 0 JIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC001353636885 1068388853 /nfs/dbraw/zinc/38/88/53/1068388853.db2.gz MLYMZNOKIXCCEZ-INIZCTEOSA-N 1 0 454.621 4.341 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300361215 1068389447 /nfs/dbraw/zinc/38/94/47/1068389447.db2.gz JIXFXPIGSHACCS-JTHBVZDNSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300366069 1068401024 /nfs/dbraw/zinc/40/10/24/1068401024.db2.gz FLAIDWQTYHPFMU-QFIPXVFZSA-N 1 0 465.646 4.048 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(O)CCCCC2)c1 ZINC001300370332 1068420198 /nfs/dbraw/zinc/42/01/98/1068420198.db2.gz XSWWJEDXQKZEEL-UHFFFAOYSA-N 1 0 455.647 4.206 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)c1 ZINC001300377764 1068457699 /nfs/dbraw/zinc/45/76/99/1068457699.db2.gz KWTKAOMCBZEHKF-KRWDZBQOSA-N 1 0 455.550 4.271 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300378985 1068462947 /nfs/dbraw/zinc/46/29/47/1068462947.db2.gz QXQNQEVEKYYFLY-ZEQKJWHPSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001300379247 1068463005 /nfs/dbraw/zinc/46/30/05/1068463005.db2.gz AJRJIWUURJNWKO-FQEVSTJZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300379372 1068463671 /nfs/dbraw/zinc/46/36/71/1068463671.db2.gz SYMGNWAZJQMDOM-GGAORHGYSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001300380858 1068468940 /nfs/dbraw/zinc/46/89/40/1068468940.db2.gz NLFJIHAIYRVFMH-NZQKXSOJSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001300380856 1068469263 /nfs/dbraw/zinc/46/92/63/1068469263.db2.gz NLFJIHAIYRVFMH-NFBKMPQASA-N 1 0 455.647 4.470 20 0 JIADRO CC(C)n1cnc2c1cc(C1CCN(C(=S)NCC[NH+]3CCCCC3)CC1)nc2N1CCCC1 ZINC001200423730 1068487078 /nfs/dbraw/zinc/48/70/78/1068487078.db2.gz RYOUBBZSDWERST-UHFFFAOYSA-N 1 0 483.730 4.152 20 0 JIADRO CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)c2ccccc21 ZINC001200430248 1068513837 /nfs/dbraw/zinc/51/38/37/1068513837.db2.gz YBWXNVAFADRQMQ-QFIPXVFZSA-N 1 0 470.727 4.126 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001353736088 1068528042 /nfs/dbraw/zinc/52/80/42/1068528042.db2.gz VJLULMJQXXKSNF-FQEVSTJZSA-N 1 0 452.555 4.368 20 0 JIADRO COc1cccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001300395589 1068531613 /nfs/dbraw/zinc/53/16/13/1068531613.db2.gz QLDFXGHAQWIHPG-UWJYYQICSA-N 1 0 455.628 4.322 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=S)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001200435143 1068537602 /nfs/dbraw/zinc/53/76/02/1068537602.db2.gz YWSHQQVROPHQON-NRFANRHFSA-N 1 0 488.698 4.230 20 0 JIADRO COc1cccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300397877 1068541033 /nfs/dbraw/zinc/54/10/33/1068541033.db2.gz XBYWAEDVRNCIDZ-QHCPKHFHSA-N 1 0 455.647 4.325 20 0 JIADRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001353772798 1068567798 /nfs/dbraw/zinc/56/77/98/1068567798.db2.gz BGNUCZDKGMSKPV-HNNXBMFYSA-N 1 0 455.908 4.194 20 0 JIADRO C[C@H](CCc1ccc(F)cc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001353775304 1068571298 /nfs/dbraw/zinc/57/12/98/1068571298.db2.gz WTHPZLUDZUZPIE-QGZVFWFLSA-N 1 0 451.508 4.481 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CCO2)c1 ZINC001300406545 1068572257 /nfs/dbraw/zinc/57/22/57/1068572257.db2.gz FEUWYKBZTULJCY-FCHUYYIVSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@@H](C)C3)CCO2)c1 ZINC001300406565 1068573312 /nfs/dbraw/zinc/57/33/12/1068573312.db2.gz FPCQNXUOEMBPST-SEIBCYHCSA-N 1 0 455.647 4.499 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CCO2)c1 ZINC001300406691 1068573332 /nfs/dbraw/zinc/57/33/32/1068573332.db2.gz IICRPVZBYJRYHO-NFBKMPQASA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(Cc4csc(C)n4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406731 1068574097 /nfs/dbraw/zinc/57/40/97/1068574097.db2.gz ITZRFOIRRZSPOY-ISKFKSNPSA-N 1 0 498.697 4.197 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+](C)C3CCCCC3)CCO2)c1 ZINC001300407135 1068577757 /nfs/dbraw/zinc/57/77/57/1068577757.db2.gz NKDLRNIEKKHGPE-DEOSSOPVSA-N 1 0 455.647 4.328 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC001353788717 1068587206 /nfs/dbraw/zinc/58/72/06/1068587206.db2.gz IQCQGYQIYRWTDE-UHFFFAOYSA-N 1 0 458.562 4.263 20 0 JIADRO CC[N@@H+]1C[C@@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC001472057162 1068701534 /nfs/dbraw/zinc/70/15/34/1068701534.db2.gz OEBVEGZRFPJQMV-MRXNPFEDSA-N 1 0 450.402 4.223 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)c1 ZINC001300442909 1068725233 /nfs/dbraw/zinc/72/52/33/1068725233.db2.gz VHBVYHBSUPTGPH-JOCHJYFZSA-N 1 0 468.690 4.322 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001300452341 1068761441 /nfs/dbraw/zinc/76/14/41/1068761441.db2.gz VJWZOJMVDLNMII-IBGZPJMESA-N 1 0 469.655 4.327 20 0 JIADRO C[C@H](Oc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001200508196 1068784539 /nfs/dbraw/zinc/78/45/39/1068784539.db2.gz QGWXONKOTNAGRQ-BHGTWAMESA-N 1 0 450.583 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300471163 1068812557 /nfs/dbraw/zinc/81/25/57/1068812557.db2.gz ZMFIKKYQWHABKD-GOSISDBHSA-N 1 0 472.037 4.097 20 0 JIADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001200524889 1068820031 /nfs/dbraw/zinc/82/00/31/1068820031.db2.gz QOUUGZIHMAUIPI-HNNXBMFYSA-N 1 0 452.477 4.202 20 0 JIADRO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001200526332 1068823397 /nfs/dbraw/zinc/82/33/97/1068823397.db2.gz PBIDGLWJBBEEMS-UHFFFAOYSA-N 1 0 457.478 4.388 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@H+](C)C(C)C ZINC001300480306 1068832840 /nfs/dbraw/zinc/83/28/40/1068832840.db2.gz XWGCFXRGFGVSHY-GCJKJVERSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001300480664 1068833808 /nfs/dbraw/zinc/83/38/08/1068833808.db2.gz AVBVLXMQIXJNKN-HXUWFJFHSA-N 1 0 453.631 4.105 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300480854 1068834229 /nfs/dbraw/zinc/83/42/29/1068834229.db2.gz HQTTUZHYMCKXIM-HXUWFJFHSA-N 1 0 481.563 4.089 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300481117 1068835319 /nfs/dbraw/zinc/83/53/19/1068835319.db2.gz LRWBGBUICVNQSZ-YZUZCNPQSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535053 1068845530 /nfs/dbraw/zinc/84/55/30/1068845530.db2.gz FMJPDVNCVZNKMF-RDJZCZTQSA-N 1 0 465.978 4.031 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535288 1068846227 /nfs/dbraw/zinc/84/62/27/1068846227.db2.gz IKAVBGONBFWKMM-WMZOPIPTSA-N 1 0 462.015 4.200 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001300490478 1068854127 /nfs/dbraw/zinc/85/41/27/1068854127.db2.gz FEJPGSJJXKETFB-HXUWFJFHSA-N 1 0 498.672 4.179 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001200542324 1068858973 /nfs/dbraw/zinc/85/89/73/1068858973.db2.gz KKOKDZYWYJIMKZ-DLIWEFRCSA-N 1 0 457.640 4.099 20 0 JIADRO COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001200548540 1068868487 /nfs/dbraw/zinc/86/84/87/1068868487.db2.gz GFSGNTZFHRMICC-ISKFKSNPSA-N 1 0 450.583 4.403 20 0 JIADRO Fc1cccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1I ZINC001200552384 1068874413 /nfs/dbraw/zinc/87/44/13/1068874413.db2.gz QIXBLSYTRRQBEZ-UHFFFAOYSA-N 1 0 457.674 4.466 20 0 JIADRO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001359169283 1068880209 /nfs/dbraw/zinc/88/02/09/1068880209.db2.gz BCXZECVESCIUHA-WIOPSUGQSA-N 1 0 478.685 4.393 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001300507216 1068881337 /nfs/dbraw/zinc/88/13/37/1068881337.db2.gz JQZLKSGGOAQMJV-IFMALSPDSA-N 1 0 498.672 4.130 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(c3ccccn3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300510229 1068886292 /nfs/dbraw/zinc/88/62/92/1068886292.db2.gz KDZGPDWZJDQNLB-UHFFFAOYSA-N 1 0 477.657 4.184 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300518443 1068904296 /nfs/dbraw/zinc/90/42/96/1068904296.db2.gz SKRYMYPADIOVAG-NFBKMPQASA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300518976 1068904938 /nfs/dbraw/zinc/90/49/38/1068904938.db2.gz UOILOTRVNVHLGG-RUZDIDTESA-N 1 0 487.714 4.423 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300519226 1068905588 /nfs/dbraw/zinc/90/55/88/1068905588.db2.gz AJIGXQNYGNGFOJ-HBMCJLEFSA-N 1 0 498.672 4.178 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492568543 1068906476 /nfs/dbraw/zinc/90/64/76/1068906476.db2.gz QGVALWUQOOPVQD-UHFFFAOYSA-N 1 0 482.673 4.290 20 0 JIADRO COc1ccccc1-c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300522252 1068916811 /nfs/dbraw/zinc/91/68/11/1068916811.db2.gz YPXKMKCEMWVCFG-XLIONFOSSA-N 1 0 459.545 4.450 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300524863 1068924681 /nfs/dbraw/zinc/92/46/81/1068924681.db2.gz NLUKPXIJIIHRKK-UGKGYDQZSA-N 1 0 460.582 4.312 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300530636 1068940490 /nfs/dbraw/zinc/94/04/90/1068940490.db2.gz PTSZNLCSNPHJTR-SFTDATJTSA-N 1 0 479.673 4.265 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300531128 1068942712 /nfs/dbraw/zinc/94/27/12/1068942712.db2.gz VRFZMRPDFJUQSV-IZVMNLJQSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300536069 1068955738 /nfs/dbraw/zinc/95/57/38/1068955738.db2.gz OBQLYNIQBLMZOI-JOCHJYFZSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300539438 1068966511 /nfs/dbraw/zinc/96/65/11/1068966511.db2.gz GDLQQKCULPEATB-FGZHOGPDSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)on2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300539706 1068967639 /nfs/dbraw/zinc/96/76/39/1068967639.db2.gz LEHPZFZXIKOCSH-PMACEKPBSA-N 1 0 466.630 4.178 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492569268 1068968412 /nfs/dbraw/zinc/96/84/12/1068968412.db2.gz RAILRRIXBIQWOV-ZBLYBZFDSA-N 1 0 466.674 4.069 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300540112 1068968820 /nfs/dbraw/zinc/96/88/20/1068968820.db2.gz QLVOAEKTMJPHNH-NHCUHLMSSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300541957 1068975490 /nfs/dbraw/zinc/97/54/90/1068975490.db2.gz JYYJETVJCRQUMO-OAQYLSRUSA-N 1 0 457.663 4.249 20 0 JIADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(Br)c1OC ZINC001354209743 1068980089 /nfs/dbraw/zinc/98/00/89/1068980089.db2.gz KLAYEPVSAVQCKA-SCLBCKFNSA-N 1 0 453.402 4.341 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300548218 1068990621 /nfs/dbraw/zinc/99/06/21/1068990621.db2.gz XVTOJEAKBVDPNE-NHCUHLMSSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300549041 1068994136 /nfs/dbraw/zinc/99/41/36/1068994136.db2.gz QOYZGZHMXJKGPO-NJYVYQBISA-N 1 0 457.688 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300549343 1068994762 /nfs/dbraw/zinc/99/47/62/1068994762.db2.gz VKORGNXIVJXBPV-QFIPXVFZSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCN(C)CC(F)(F)F ZINC001492570319 1068999922 /nfs/dbraw/zinc/99/99/22/1068999922.db2.gz WLQRWCIHULZCEP-UHFFFAOYSA-N 1 0 492.615 4.174 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001492586168 1069000930 /nfs/dbraw/zinc/00/09/30/1069000930.db2.gz YDNSGHRVSXGJCT-UHFFFAOYSA-N 1 0 496.700 4.358 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492586626 1069004342 /nfs/dbraw/zinc/00/43/42/1069004342.db2.gz NVPUSVPDWIRHQE-VWLOTQADSA-N 1 0 496.700 4.212 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001492586713 1069005161 /nfs/dbraw/zinc/00/51/61/1069005161.db2.gz QOKCORWHWYVBJX-QHCPKHFHSA-N 1 0 482.673 4.107 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001300557603 1069017765 /nfs/dbraw/zinc/01/77/65/1069017765.db2.gz MEBXPICFMABGIL-UHFFFAOYSA-N 1 0 492.668 4.465 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492571685 1069018620 /nfs/dbraw/zinc/01/86/20/1069018620.db2.gz GWPPFMGXCAFJLV-QHAWAJNXSA-N 1 0 461.601 4.218 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001492572361 1069028468 /nfs/dbraw/zinc/02/84/68/1069028468.db2.gz AMVNMUQXTGHZFR-ZVUIFXONSA-N 1 0 466.674 4.229 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300563529 1069040980 /nfs/dbraw/zinc/04/09/80/1069040980.db2.gz RDZJXHLFKIFHJY-FPOVZHCZSA-N 1 0 495.590 4.157 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492589538 1069042013 /nfs/dbraw/zinc/04/20/13/1069042013.db2.gz WHKFWTIHIHMVTL-ISKFKSNPSA-N 1 0 496.700 4.401 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477625 1069046814 /nfs/dbraw/zinc/04/68/14/1069046814.db2.gz AEOXPXBBYFEMSY-SANMLTNESA-N 1 0 452.643 4.367 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482084 1069050090 /nfs/dbraw/zinc/05/00/90/1069050090.db2.gz PUJYMLDHTVOWNH-YADHBBJMSA-N 1 0 485.510 4.365 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482083 1069050133 /nfs/dbraw/zinc/05/01/33/1069050133.db2.gz PUJYMLDHTVOWNH-VXKWHMMOSA-N 1 0 485.510 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849485674 1069052892 /nfs/dbraw/zinc/05/28/92/1069052892.db2.gz YBLXYGTYDYWXAD-QZTJIDSGSA-N 1 0 499.965 4.003 20 0 JIADRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849488331 1069053771 /nfs/dbraw/zinc/05/37/71/1069053771.db2.gz RNPDYTZFNCMKBJ-DHIUTWEWSA-N 1 0 474.634 4.028 20 0 JIADRO COc1cc(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490835 1069058518 /nfs/dbraw/zinc/05/85/18/1069058518.db2.gz KTZFRKDWFOABKB-SXOMAYOGSA-N 1 0 482.669 4.123 20 0 JIADRO COc1cc(CCC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490832 1069058524 /nfs/dbraw/zinc/05/85/24/1069058524.db2.gz KTZFRKDWFOABKB-RRPNLBNLSA-N 1 0 482.669 4.123 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492929 1069061472 /nfs/dbraw/zinc/06/14/72/1069061472.db2.gz HFWYDLPNIHYDCM-MOPGFXCFSA-N 1 0 463.529 4.160 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c1 ZINC000849493064 1069061728 /nfs/dbraw/zinc/06/17/28/1069061728.db2.gz ZROWSDHUBVINIS-AZUAARDMSA-N 1 0 469.611 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493841 1069063798 /nfs/dbraw/zinc/06/37/98/1069063798.db2.gz MLVVQBYNCAUYQP-OALUTQOASA-N 1 0 456.641 4.017 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493842 1069063877 /nfs/dbraw/zinc/06/38/77/1069063877.db2.gz MLVVQBYNCAUYQP-RBUKOAKNSA-N 1 0 456.641 4.017 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493579 1069064704 /nfs/dbraw/zinc/06/47/04/1069064704.db2.gz YAEAQBPPZSLWBM-ZWKOTPCHSA-N 1 0 464.422 4.448 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849493740 1069064750 /nfs/dbraw/zinc/06/47/50/1069064750.db2.gz YYORAQQDLFUABA-RTWAWAEBSA-N 1 0 451.596 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300568209 1069065782 /nfs/dbraw/zinc/06/57/82/1069065782.db2.gz QKYLZJCCVNGCLQ-SFTDATJTSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC000849496370 1069067627 /nfs/dbraw/zinc/06/76/27/1069067627.db2.gz KBDPSVHCXIYGMQ-PKTZIBPZSA-N 1 0 469.630 4.240 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497443 1069068486 /nfs/dbraw/zinc/06/84/86/1069068486.db2.gz OCZPYSZWUVYPDB-LEWJYISDSA-N 1 0 461.635 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@@H](c2cnn(C)c2)C1 ZINC000849496502 1069069431 /nfs/dbraw/zinc/06/94/31/1069069431.db2.gz KPTQDKZVZIUVFG-RBUKOAKNSA-N 1 0 469.973 4.371 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498873 1069070550 /nfs/dbraw/zinc/07/05/50/1069070550.db2.gz BJJMYYZKHCJINN-RBZQAINGSA-N 1 0 498.096 4.086 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499634 1069071170 /nfs/dbraw/zinc/07/11/70/1069071170.db2.gz XGAKKWMAIOBLCR-UIOOFZCWSA-N 1 0 464.585 4.269 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849499632 1069071275 /nfs/dbraw/zinc/07/12/75/1069071275.db2.gz NEFQQCPJRKMSRM-YADHBBJMSA-N 1 0 463.582 4.377 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071305 /nfs/dbraw/zinc/07/13/05/1069071305.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 1 0 491.705 4.211 20 0 JIADRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502287 1069073820 /nfs/dbraw/zinc/07/38/20/1069073820.db2.gz ZPQABPQRQFELMZ-GOTSBHOMSA-N 1 0 475.641 4.166 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cn2)c1 ZINC000849502296 1069074106 /nfs/dbraw/zinc/07/41/06/1069074106.db2.gz ZPSDVIKKWHWUBF-DNQXCXABSA-N 1 0 461.610 4.355 20 0 JIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849501756 1069075664 /nfs/dbraw/zinc/07/56/64/1069075664.db2.gz AHTQDVCXVJSIJP-QPNVDGBVSA-N 1 0 479.669 4.299 20 0 JIADRO CCCNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC001200620637 1069075649 /nfs/dbraw/zinc/07/56/49/1069075649.db2.gz FOSJHTIVWXVGTL-UHFFFAOYSA-N 1 0 458.628 4.073 20 0 JIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849503541 1069079425 /nfs/dbraw/zinc/07/94/25/1069079425.db2.gz JGBZJCMNUOYNOS-RPWUZVMVSA-N 1 0 465.642 4.053 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503483 1069079441 /nfs/dbraw/zinc/07/94/41/1069079441.db2.gz YFPXPUCXTXLGJG-WDJPJFJCSA-N 1 0 468.642 4.441 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504032 1069082333 /nfs/dbraw/zinc/08/23/33/1069082333.db2.gz 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ZBSBMJVSZGQNEF-IXDOHACOSA-N 1 0 453.439 4.380 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(F)(F)F ZINC001300573480 1069089449 /nfs/dbraw/zinc/08/94/49/1069089449.db2.gz HHRZSHAMGHOGPP-UHFFFAOYSA-N 1 0 451.537 4.142 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507586 1069089766 /nfs/dbraw/zinc/08/97/66/1069089766.db2.gz QETHVLXZJYVIHC-YHYVQYDKSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849508028 1069089962 /nfs/dbraw/zinc/08/99/62/1069089962.db2.gz UUFJNFKVBHCVES-FGZHOGPDSA-N 1 0 466.605 4.495 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849510073 1069091845 /nfs/dbraw/zinc/09/18/45/1069091845.db2.gz OHKOTANYXDSNFP-VQTJNVASSA-N 1 0 459.566 4.198 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)cc2)CC1 ZINC001354307714 1069094707 /nfs/dbraw/zinc/09/47/07/1069094707.db2.gz IFZZXWLRALPNDH-UHFFFAOYSA-N 1 0 457.416 4.444 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849511711 1069096187 /nfs/dbraw/zinc/09/61/87/1069096187.db2.gz SUKCPAIBVIPMFC-LOSJGSFVSA-N 1 0 465.642 4.069 20 0 JIADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849512474 1069096283 /nfs/dbraw/zinc/09/62/83/1069096283.db2.gz FVYDPECMFFQANQ-ZWKOTPCHSA-N 1 0 470.599 4.051 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)c1 ZINC001354312005 1069098631 /nfs/dbraw/zinc/09/86/31/1069098631.db2.gz FAQOICYAQRVEMO-UHFFFAOYSA-N 1 0 453.583 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849515110 1069099846 /nfs/dbraw/zinc/09/98/46/1069099846.db2.gz FFRHSCMDKIALBC-MOPGFXCFSA-N 1 0 475.424 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849516360 1069100857 /nfs/dbraw/zinc/10/08/57/1069100857.db2.gz KATNRGISYSDGMY-ZWKOTPCHSA-N 1 0 475.424 4.424 20 0 JIADRO COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849516606 1069104093 /nfs/dbraw/zinc/10/40/93/1069104093.db2.gz KUSYIKRKPNSURO-VQTJNVASSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849517634 1069107203 /nfs/dbraw/zinc/10/72/03/1069107203.db2.gz MEHWJMFJBMBNPP-JWQCQUIFSA-N 1 0 471.605 4.076 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849518823 1069109268 /nfs/dbraw/zinc/10/92/68/1069109268.db2.gz SJFAPCKDPGTHMI-YTFSRNRJSA-N 1 0 462.598 4.038 20 0 JIADRO COc1cccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519812 1069111923 /nfs/dbraw/zinc/11/19/23/1069111923.db2.gz WZQJHEKBSWJFEJ-DQEYMECFSA-N 1 0 484.604 4.264 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520073 1069112059 /nfs/dbraw/zinc/11/20/59/1069112059.db2.gz XPMGDMQGAJHJAZ-RMDSEJHCSA-N 1 0 492.067 4.043 20 0 JIADRO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849521236 1069112412 /nfs/dbraw/zinc/11/24/12/1069112412.db2.gz RNISFAGSBYQQTH-VSGBNLITSA-N 1 0 490.648 4.480 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521440 1069114426 /nfs/dbraw/zinc/11/44/26/1069114426.db2.gz SOMROHCMPBGTAE-YZUZCNPQSA-N 1 0 497.437 4.132 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849521964 1069115192 /nfs/dbraw/zinc/11/51/92/1069115192.db2.gz IFPMAWSCANBABH-LOSJGSFVSA-N 1 0 472.593 4.099 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522712 1069116521 /nfs/dbraw/zinc/11/65/21/1069116521.db2.gz NOURWTFEMNHDFU-VQTJNVASSA-N 1 0 459.472 4.300 20 0 JIADRO O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000504192592 1069116553 /nfs/dbraw/zinc/11/65/53/1069116553.db2.gz YJCADGHDIXBRNV-UHFFFAOYSA-N 1 0 453.587 4.440 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522704 1069116707 /nfs/dbraw/zinc/11/67/07/1069116707.db2.gz NKRSJHYAQPQGCY-RBBKRZOGSA-N 1 0 472.033 4.152 20 0 JIADRO CCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849523697 1069117385 /nfs/dbraw/zinc/11/73/85/1069117385.db2.gz DVYUIXWLTIUAIB-LEWJYISDSA-N 1 0 453.612 4.395 20 0 JIADRO COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849525035 1069120069 /nfs/dbraw/zinc/12/00/69/1069120069.db2.gz MFFJPLNEWVOPKP-DNQXCXABSA-N 1 0 462.594 4.351 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849526289 1069121086 /nfs/dbraw/zinc/12/10/86/1069121086.db2.gz RJSDIFTWQGSEGC-ZEQRLZLVSA-N 1 0 495.668 4.238 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526074 1069123128 /nfs/dbraw/zinc/12/31/28/1069123128.db2.gz UEUHWZXAOZYVHM-TZIWHRDSSA-N 1 0 490.583 4.218 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849527070 1069124149 /nfs/dbraw/zinc/12/41/49/1069124149.db2.gz UGSPAELEKOEOFM-FCHUYYIVSA-N 1 0 481.000 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849526550 1069125962 /nfs/dbraw/zinc/12/59/62/1069125962.db2.gz GNPDUWUZGLZCDZ-DNQXCXABSA-N 1 0 481.641 4.166 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534387 1069142618 /nfs/dbraw/zinc/14/26/18/1069142618.db2.gz IFWUHPVOQUCBLT-IOMROCGXSA-N 1 0 451.442 4.393 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC23CCOCC3)cn1 ZINC000849533615 1069145892 /nfs/dbraw/zinc/14/58/92/1069145892.db2.gz FIVBDYCKCZFCFG-XMMPIXPASA-N 1 0 450.583 4.341 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC23CCOCC3)cn1 ZINC000849534892 1069149144 /nfs/dbraw/zinc/14/91/44/1069149144.db2.gz LTCAJFUGCITNMJ-RDGATRHJSA-N 1 0 468.617 4.271 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849535547 1069155638 /nfs/dbraw/zinc/15/56/38/1069155638.db2.gz UNHSIRJJSMVWIB-YADHBBJMSA-N 1 0 475.622 4.182 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300592417 1069159883 /nfs/dbraw/zinc/15/98/83/1069159883.db2.gz UNLWLKHMGREADD-KDURUIRLSA-N 1 0 485.032 4.138 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539352 1069162703 /nfs/dbraw/zinc/16/27/03/1069162703.db2.gz SOVGUGJBHYNMQR-AOHZBQACSA-N 1 0 452.002 4.142 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)CC23CCOCC3)cn1 ZINC000849542628 1069173613 /nfs/dbraw/zinc/17/36/13/1069173613.db2.gz FUWBCJSGQBBQJO-LOSJGSFVSA-N 1 0 450.627 4.099 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300599110 1069181636 /nfs/dbraw/zinc/18/16/36/1069181636.db2.gz ZNNZLTYRVCWFNC-MZEQIWSPSA-N 1 0 487.714 4.279 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300599280 1069182410 /nfs/dbraw/zinc/18/24/10/1069182410.db2.gz GUYPEZIAGVPDSF-FNZWTVRRSA-N 1 0 457.663 4.094 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300599282 1069182647 /nfs/dbraw/zinc/18/26/47/1069182647.db2.gz GUYPEZIAGVPDSF-IBVKSMDESA-N 1 0 457.663 4.094 20 0 JIADRO CN(Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550473 1069189664 /nfs/dbraw/zinc/18/96/64/1069189664.db2.gz XQNPLDOWHAMGAV-XZOQPEGZSA-N 1 0 485.588 4.113 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551921 1069193863 /nfs/dbraw/zinc/19/38/63/1069193863.db2.gz GXFMCKTXPDIQCF-SFTDATJTSA-N 1 0 481.000 4.069 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553330 1069194607 /nfs/dbraw/zinc/19/46/07/1069194607.db2.gz IXTOKRSRBVYBTM-KYPHJKQUSA-N 1 0 495.465 4.492 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554233 1069197277 /nfs/dbraw/zinc/19/72/77/1069197277.db2.gz VJMCPECYVWJFPH-FCHUYYIVSA-N 1 0 473.459 4.236 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(CC(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300605152 1069197624 /nfs/dbraw/zinc/19/76/24/1069197624.db2.gz KOMJBWMUWJUCQA-UHFFFAOYSA-N 1 0 492.668 4.186 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555187 1069199626 /nfs/dbraw/zinc/19/96/26/1069199626.db2.gz QAJPDZFKJJLVFM-BKULYWANSA-N 1 0 470.589 4.361 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849554898 1069200959 /nfs/dbraw/zinc/20/09/59/1069200959.db2.gz WQNNQEYWPAGENC-XZOQPEGZSA-N 1 0 499.457 4.074 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C[C@H](C)O2 ZINC000849556879 1069204510 /nfs/dbraw/zinc/20/45/10/1069204510.db2.gz DWPIEIMQJSUDSD-UHOSZYNNSA-N 1 0 475.431 4.119 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849558372 1069204556 /nfs/dbraw/zinc/20/45/56/1069204556.db2.gz MXLSAHNLJSTTHZ-DNRSQYFGSA-N 1 0 499.659 4.450 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849558711 1069206659 /nfs/dbraw/zinc/20/66/59/1069206659.db2.gz PPOPEFISKJXCKK-CTNGQTDRSA-N 1 0 467.614 4.170 20 0 JIADRO Cc1nc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558665 1069206948 /nfs/dbraw/zinc/20/69/48/1069206948.db2.gz OUGWIJSIZRGRFT-NHCUHLMSSA-N 1 0 455.990 4.167 20 0 JIADRO COc1ccc(-c2csc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849560217 1069208035 /nfs/dbraw/zinc/20/80/35/1069208035.db2.gz ZFBITYLFJFQTPZ-DNQXCXABSA-N 1 0 452.624 4.288 20 0 JIADRO COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849562179 1069210410 /nfs/dbraw/zinc/21/04/10/1069210410.db2.gz JTJSRUDDOJDYNS-IEBWSBKVSA-N 1 0 457.575 4.144 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562555 1069213512 /nfs/dbraw/zinc/21/35/12/1069213512.db2.gz FHRRWJAIAKHJEW-SFTDATJTSA-N 1 0 459.432 4.189 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849566238 1069215120 /nfs/dbraw/zinc/21/51/20/1069215120.db2.gz ZRMIPQCFRLHFLU-MOPGFXCFSA-N 1 0 467.839 4.009 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849565902 1069216477 /nfs/dbraw/zinc/21/64/77/1069216477.db2.gz XPPGHDFRHYOYRA-WDJPJFJCSA-N 1 0 483.657 4.136 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300614717 1069226177 /nfs/dbraw/zinc/22/61/77/1069226177.db2.gz JNRLAYRQEBZWHA-HSZRJFAPSA-N 1 0 468.690 4.421 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000849575308 1069226109 /nfs/dbraw/zinc/22/61/09/1069226109.db2.gz JVWGCOASWIYCEX-RBZQAINGSA-N 1 0 486.538 4.389 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001300615312 1069228522 /nfs/dbraw/zinc/22/85/22/1069228522.db2.gz QXANMPXUDHPGAF-XMMPIXPASA-N 1 0 482.717 4.175 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849578745 1069230840 /nfs/dbraw/zinc/23/08/40/1069230840.db2.gz XNFZGRRLILUWTF-IEZWGBDMSA-N 1 0 474.474 4.255 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582498 1069233245 /nfs/dbraw/zinc/23/32/45/1069233245.db2.gz NLRKRVZHZGFBQN-NHCUHLMSSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849582297 1069233380 /nfs/dbraw/zinc/23/33/80/1069233380.db2.gz MGHYXOQLOKMLPT-MSOLQXFVSA-N 1 0 450.568 4.137 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582303 1069233410 /nfs/dbraw/zinc/23/34/10/1069233410.db2.gz MGHYXOQLOKMLPT-ZWKOTPCHSA-N 1 0 450.568 4.137 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849583118 1069233887 /nfs/dbraw/zinc/23/38/87/1069233887.db2.gz RJCWTSLDKJLLOU-BHDDXSALSA-N 1 0 464.639 4.192 20 0 JIADRO CCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582701 1069234111 /nfs/dbraw/zinc/23/41/11/1069234111.db2.gz ONGVHUZBZUVVPK-LEWJYISDSA-N 1 0 455.006 4.274 20 0 JIADRO CC[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000849584122 1069234953 /nfs/dbraw/zinc/23/49/53/1069234953.db2.gz WWHXXQCFNOHSPZ-NEWSRXKRSA-N 1 0 453.414 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849585207 1069235300 /nfs/dbraw/zinc/23/53/00/1069235300.db2.gz AEFBIYXZMWSXER-IAGOWNOFSA-N 1 0 458.912 4.467 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001492576040 1069237662 /nfs/dbraw/zinc/23/76/62/1069237662.db2.gz GNJZURDOPREWNA-JOCHJYFZSA-N 1 0 494.709 4.427 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849589245 1069240588 /nfs/dbraw/zinc/24/05/88/1069240588.db2.gz WFFSKTFTTWDWDG-FUHWJXTLSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849590387 1069241148 /nfs/dbraw/zinc/24/11/48/1069241148.db2.gz YHYKDWHGTSVXOH-PMACEKPBSA-N 1 0 488.474 4.258 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 ZINC001354466984 1069241623 /nfs/dbraw/zinc/24/16/23/1069241623.db2.gz FYZJXOZJPJLDEV-VWLOTQADSA-N 1 0 457.619 4.354 20 0 JIADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589719 1069241973 /nfs/dbraw/zinc/24/19/73/1069241973.db2.gz SYOWPGPODQWEAA-SJBKTWHCSA-N 1 0 473.459 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590247 1069242269 /nfs/dbraw/zinc/24/22/69/1069242269.db2.gz XYGDPHJDFDPCSC-DHIUTWEWSA-N 1 0 488.474 4.100 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300620735 1069243461 /nfs/dbraw/zinc/24/34/61/1069243461.db2.gz NYFVOZVBVRTNHN-OAQYLSRUSA-N 1 0 478.641 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849592226 1069243538 /nfs/dbraw/zinc/24/35/38/1069243538.db2.gz NSRJLKYCNLGCCP-ZWKOTPCHSA-N 1 0 494.543 4.290 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591653 1069244488 /nfs/dbraw/zinc/24/44/88/1069244488.db2.gz KDCFIQSCCOEXHN-YHELAOLJSA-N 1 0 457.416 4.291 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594362 1069246282 /nfs/dbraw/zinc/24/62/82/1069246282.db2.gz XARMQVXUCDBPIJ-WOJBJXKFSA-N 1 0 497.993 4.255 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300622174 1069246190 /nfs/dbraw/zinc/24/61/90/1069246190.db2.gz RIDUXOFGVIPLSS-QFIPXVFZSA-N 1 0 492.668 4.298 20 0 JIADRO COC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595214 1069246819 /nfs/dbraw/zinc/24/68/19/1069246819.db2.gz WQTOCMRXSHKEQH-JAHKOMQMSA-N 1 0 452.643 4.093 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)[C@H](c2cnn(C)c2)C1 ZINC000849595648 1069250861 /nfs/dbraw/zinc/25/08/61/1069250861.db2.gz JTQUSZFEDIPBJZ-LMDOGRNLSA-N 1 0 478.559 4.241 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300623335 1069251233 /nfs/dbraw/zinc/25/12/33/1069251233.db2.gz XSJLNDQZKIMAJB-NHCUHLMSSA-N 1 0 485.673 4.032 20 0 JIADRO Cc1cc(CC(C)(C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849596883 1069253125 /nfs/dbraw/zinc/25/31/25/1069253125.db2.gz QBVQYYIYXYXVHU-SFTDATJTSA-N 1 0 475.475 4.442 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849597998 1069254442 /nfs/dbraw/zinc/25/44/42/1069254442.db2.gz WOAYAYWXJFNWAT-VJBMBRPKSA-N 1 0 473.459 4.088 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300624745 1069254914 /nfs/dbraw/zinc/25/49/14/1069254914.db2.gz BBRFGGQNTGSMJD-BXXSPATCSA-N 1 0 485.673 4.380 20 0 JIADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849599820 1069256927 /nfs/dbraw/zinc/25/69/27/1069256927.db2.gz BLGUGKFMCKKVBD-OYDLWJJNSA-N 1 0 467.658 4.117 20 0 JIADRO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849606237 1069262316 /nfs/dbraw/zinc/26/23/16/1069262316.db2.gz NFKCOJNNCHNXPI-PKTZIBPZSA-N 1 0 469.630 4.206 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@H](c2cnn(C)c2)C1 ZINC000849605919 1069262750 /nfs/dbraw/zinc/26/27/50/1069262750.db2.gz KMBLWAIIQTZIES-CVEARBPZSA-N 1 0 486.785 4.131 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H](C)c2ccco2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300627681 1069264520 /nfs/dbraw/zinc/26/45/20/1069264520.db2.gz NBNOBVATMNSLNM-IBGZPJMESA-N 1 0 485.654 4.484 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849610249 1069267636 /nfs/dbraw/zinc/26/76/36/1069267636.db2.gz YTGBYMMFSXVRLF-PKTZIBPZSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849609959 1069267750 /nfs/dbraw/zinc/26/77/50/1069267750.db2.gz FVGAKMSOSVKBJT-AYVPJYCDSA-N 1 0 489.705 4.166 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001492576752 1069268539 /nfs/dbraw/zinc/26/85/39/1069268539.db2.gz CXXWNHUGYJCKQK-UHFFFAOYSA-N 1 0 453.656 4.029 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849611333 1069269220 /nfs/dbraw/zinc/26/92/20/1069269220.db2.gz WOSWVCDAHNLVPX-FCHUYYIVSA-N 1 0 473.459 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849610946 1069270394 /nfs/dbraw/zinc/27/03/94/1069270394.db2.gz QSBZVPCTHUWJAH-VABKMULXSA-N 1 0 459.034 4.266 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611572 1069273291 /nfs/dbraw/zinc/27/32/91/1069273291.db2.gz CPACHQZSULSDSP-IAGOWNOFSA-N 1 0 480.922 4.167 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cccs2)n1CC[NH+]1CCC(C)CC1 ZINC001300630685 1069276568 /nfs/dbraw/zinc/27/65/68/1069276568.db2.gz ICWKEOMJRHWXMV-UHFFFAOYSA-N 1 0 455.628 4.296 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492591369 1069302655 /nfs/dbraw/zinc/30/26/55/1069302655.db2.gz BCALFVANRTWCMG-QFIPXVFZSA-N 1 0 469.033 4.175 20 0 JIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1 ZINC001164409526 718865949 /nfs/dbraw/zinc/86/59/49/718865949.db2.gz RBHBDWNHORVMOE-SJKOYZFVSA-N 1 0 462.850 4.175 20 0 JIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164415070 718880096 /nfs/dbraw/zinc/88/00/96/718880096.db2.gz ZWWAQKOXFAVXBH-SFHVURJKSA-N 1 0 451.924 4.299 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164428016 718951914 /nfs/dbraw/zinc/95/19/14/718951914.db2.gz HTAANTJSZSGRBQ-DHLKQENFSA-N 1 0 477.653 4.118 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164617388 719011377 /nfs/dbraw/zinc/01/13/77/719011377.db2.gz NUWNQAPYFREGOU-KUHUBIRLSA-N 1 0 481.893 4.448 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC2)CC1 ZINC001164613759 719026180 /nfs/dbraw/zinc/02/61/80/719026180.db2.gz CFTYNVOINRTLJN-UHFFFAOYSA-N 1 0 470.923 4.211 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)CC1 ZINC001164617499 719033193 /nfs/dbraw/zinc/03/31/93/719033193.db2.gz LFUXJQMBQYWXSR-DEOSSOPVSA-N 1 0 476.980 4.168 20 0 JIADRO O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628974 719086891 /nfs/dbraw/zinc/08/68/91/719086891.db2.gz PHHHQGBGBFBLEC-PXJZQJOASA-N 1 0 495.671 4.140 20 0 JIADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643588 719236004 /nfs/dbraw/zinc/23/60/04/719236004.db2.gz ZKSWTFVBNIJRHM-FGZHOGPDSA-N 1 0 464.635 4.002 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648913 719296139 /nfs/dbraw/zinc/29/61/39/719296139.db2.gz GJVQQRCMSFTENS-FKBYEOEOSA-N 1 0 476.955 4.005 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164679945 719653299 /nfs/dbraw/zinc/65/32/99/719653299.db2.gz BCRFKVJFPUKFSZ-UHFFFAOYSA-N 1 0 476.959 4.086 20 0 JIADRO COc1ccccc1-c1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164681444 719654563 /nfs/dbraw/zinc/65/45/63/719654563.db2.gz PDDKXAZZHWUHLO-UHFFFAOYSA-N 1 0 476.959 4.086 20 0 JIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679943 719655984 /nfs/dbraw/zinc/65/59/84/719655984.db2.gz AZDLMALZMWYPIE-IBGZPJMESA-N 1 0 499.055 4.005 20 0 JIADRO Cc1csc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685258 719656009 /nfs/dbraw/zinc/65/60/09/719656009.db2.gz YQXIXGYEUADDER-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ccc(Cl)cc43)CC2)c2ccccc21 ZINC001164684598 719661466 /nfs/dbraw/zinc/66/14/66/719661466.db2.gz YEXALNPZSCZUDY-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4cc(F)ccc4n3)CC2)c2ccccc21 ZINC001164686840 719665808 /nfs/dbraw/zinc/66/58/08/719665808.db2.gz XNFWMWMLABHWCV-NRFANRHFSA-N 1 0 460.597 4.467 20 0 JIADRO Cc1cccc2ncc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164680087 719666069 /nfs/dbraw/zinc/66/60/69/719666069.db2.gz BTUSEKABSMNOQA-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164682810 719667249 /nfs/dbraw/zinc/66/72/49/719667249.db2.gz PRSOFYOUKXHIPE-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164685583 719667705 /nfs/dbraw/zinc/66/77/05/719667705.db2.gz VMQDZSDNOUYSHS-QFIPXVFZSA-N 1 0 492.664 4.130 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4cccs4)nn3)CC2)c2ccccc21 ZINC001164684544 719673581 /nfs/dbraw/zinc/67/35/81/719673581.db2.gz UOVZQDDOLZNGFR-HXUWFJFHSA-N 1 0 475.662 4.299 20 0 JIADRO Fc1cc2nc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2cc1F ZINC001164694927 719890623 /nfs/dbraw/zinc/89/06/23/719890623.db2.gz HLZWQRFYEAEZDX-UHFFFAOYSA-N 1 0 450.942 4.494 20 0 JIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705878 719904209 /nfs/dbraw/zinc/90/42/09/719904209.db2.gz DZGMKMQYWYTUKF-UHFFFAOYSA-N 1 0 481.956 4.263 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164712486 720096529 /nfs/dbraw/zinc/09/65/29/720096529.db2.gz WBJCYEKWRMWZGH-QGZVFWFLSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164711084 720099924 /nfs/dbraw/zinc/09/99/24/720099924.db2.gz NWWWXUUVMFLKAM-DEOSSOPVSA-N 1 0 477.653 4.047 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164716951 720112683 /nfs/dbraw/zinc/11/26/83/720112683.db2.gz MDLOLYQRYGQQHG-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164712570 720131249 /nfs/dbraw/zinc/13/12/49/720131249.db2.gz NNVLCIHFXRJCFU-QFIPXVFZSA-N 1 0 475.593 4.180 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164713055 720148342 /nfs/dbraw/zinc/14/83/42/720148342.db2.gz PPHPTQBADYGURX-HSZRJFAPSA-N 1 0 458.610 4.058 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815541 720150437 /nfs/dbraw/zinc/15/04/37/720150437.db2.gz ICSDHZYNOVXGNA-LBNVMWSVSA-N 1 0 463.622 4.369 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164714384 720154698 /nfs/dbraw/zinc/15/46/98/720154698.db2.gz WQWPADMLNGKYFD-HXUWFJFHSA-N 1 0 453.587 4.247 20 0 JIADRO Cc1ccc(-c2csc3ncnc(N4CCc5c(nnn5C)[C@@H]4COCC[NH+]4CCCC4)c23)cc1 ZINC001164719924 720176938 /nfs/dbraw/zinc/17/69/38/720176938.db2.gz YXNHZBOUBYKDSN-QFIPXVFZSA-N 1 0 489.649 4.011 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4ccccc4)c31)CCC2 ZINC001164812093 720215496 /nfs/dbraw/zinc/21/54/96/720215496.db2.gz DBGDTGBCKXVPFD-UHFFFAOYSA-N 1 0 460.607 4.166 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)n2)cc1 ZINC001164812344 720229034 /nfs/dbraw/zinc/22/90/34/720229034.db2.gz FXHWRLALOLYCGI-UHFFFAOYSA-N 1 0 468.605 4.412 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001164820579 720311814 /nfs/dbraw/zinc/31/18/14/720311814.db2.gz HPJDXYGVWNQPFH-LOSJGSFVSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164823835 720313745 /nfs/dbraw/zinc/31/37/45/720313745.db2.gz QCPCBQIQVTWDPN-NHCUHLMSSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164828473 720328487 /nfs/dbraw/zinc/32/84/87/720328487.db2.gz JTDPLERWVJMFCY-LEWJYISDSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164830742 720340581 /nfs/dbraw/zinc/34/05/81/720340581.db2.gz WUJMIBBEMOKHKQ-FCHUYYIVSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)ccn2)CC1 ZINC001164829187 720343624 /nfs/dbraw/zinc/34/36/24/720343624.db2.gz QWCPMNCHXQUOGF-RPWUZVMVSA-N 1 0 450.652 4.285 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164822250 720349920 /nfs/dbraw/zinc/34/99/20/720349920.db2.gz CXJXIIKJZKSULR-HOTGVXAUSA-N 1 0 480.909 4.210 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164821514 720353246 /nfs/dbraw/zinc/35/32/46/720353246.db2.gz ANJGNZPNHHIHHT-UXHICEINSA-N 1 0 490.435 4.487 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839063 720519920 /nfs/dbraw/zinc/51/99/20/720519920.db2.gz SJSHTLIYMKBOMH-PLMTUMEDSA-N 1 0 460.960 4.402 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1Cl ZINC001164841315 720522488 /nfs/dbraw/zinc/52/24/88/720522488.db2.gz YHHRERDSIAWJJX-JFIYKMOQSA-N 1 0 466.413 4.139 20 0 JIADRO COc1ccc2nc(C(F)(F)N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)nc(Cl)c2c1 ZINC001164736447 720546498 /nfs/dbraw/zinc/54/64/98/720546498.db2.gz YIRJFGNJCFKHEK-AWEZNQCLSA-N 1 0 454.949 4.353 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840675 720550047 /nfs/dbraw/zinc/55/00/47/720550047.db2.gz SONAVGFTIOMEST-BHIFYINESA-N 1 0 467.017 4.283 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837328 720556160 /nfs/dbraw/zinc/55/61/60/720556160.db2.gz LTBFDOASEUTVAV-GIFXNVAJSA-N 1 0 455.610 4.054 20 0 JIADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727860 720568288 /nfs/dbraw/zinc/56/82/88/720568288.db2.gz FWZZXHXFTRRYJL-UHFFFAOYSA-N 1 0 467.351 4.337 20 0 JIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164838271 720592681 /nfs/dbraw/zinc/59/26/81/720592681.db2.gz KNWAKXSJCPNGET-DGWZTRNLSA-N 1 0 473.621 4.418 20 0 JIADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164746267 720594077 /nfs/dbraw/zinc/59/40/77/720594077.db2.gz WLHYSWBCZKPPEP-UHFFFAOYSA-N 1 0 459.381 4.431 20 0 JIADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164743604 720595090 /nfs/dbraw/zinc/59/50/90/720595090.db2.gz PPVBYIOVHHGBMU-UHFFFAOYSA-N 1 0 487.011 4.109 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839683 720597777 /nfs/dbraw/zinc/59/77/77/720597777.db2.gz OCABFABCNUJAQO-IRFCIJBXSA-N 1 0 450.656 4.453 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841267 720602703 /nfs/dbraw/zinc/60/27/03/720602703.db2.gz RUGCVEGTPWFZGV-STWLZBDKSA-N 1 0 453.594 4.266 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835968 720613501 /nfs/dbraw/zinc/61/35/01/720613501.db2.gz DFEVXMPURRJJKI-FUHIMQAGSA-N 1 0 460.960 4.402 20 0 JIADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738562 720656063 /nfs/dbraw/zinc/65/60/63/720656063.db2.gz KMUQQKXLBGSEKB-PMACEKPBSA-N 1 0 457.912 4.079 20 0 JIADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737585 720661202 /nfs/dbraw/zinc/66/12/02/720661202.db2.gz GKOKGYKFBPASPI-WOJBJXKFSA-N 1 0 476.943 4.221 20 0 JIADRO COc1cc2nc(C)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164844815 720691945 /nfs/dbraw/zinc/69/19/45/720691945.db2.gz UZCMTRVXHHZQKF-OAQYLSRUSA-N 1 0 462.594 4.215 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842704 720692128 /nfs/dbraw/zinc/69/21/28/720692128.db2.gz MUTWIBNZFNJYQY-QFIPXVFZSA-N 1 0 491.636 4.238 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844906 720739470 /nfs/dbraw/zinc/73/94/70/720739470.db2.gz VEMZGGOACHKBJH-QHCPKHFHSA-N 1 0 456.953 4.173 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842398 720743796 /nfs/dbraw/zinc/74/37/96/720743796.db2.gz DLHWOTSSNXIKSF-UHFFFAOYSA-N 1 0 481.334 4.171 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@@H]54)ccc3C2)cc1 ZINC001164849433 720772137 /nfs/dbraw/zinc/77/21/37/720772137.db2.gz SHWLQJPUIZNKSU-PKXQUSJVSA-N 1 0 470.617 4.378 20 0 JIADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164745436 720787979 /nfs/dbraw/zinc/78/79/79/720787979.db2.gz KJNSLFBACIICJV-RPBOFIJWSA-N 1 0 464.573 4.251 20 0 JIADRO c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)c1 ZINC001164746782 720819779 /nfs/dbraw/zinc/81/97/79/720819779.db2.gz ZDCOMNZRRWJMND-NLWGTHIKSA-N 1 0 477.663 4.391 20 0 JIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746599 720836753 /nfs/dbraw/zinc/83/67/53/720836753.db2.gz PCTXQJILHJLBKM-PCCBWWKXSA-N 1 0 499.997 4.313 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742947 720847968 /nfs/dbraw/zinc/84/79/68/720847968.db2.gz HLCPHUCRKYLXCE-RZPFDVGOSA-N 1 0 483.595 4.407 20 0 JIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746067 720855651 /nfs/dbraw/zinc/85/56/51/720855651.db2.gz FOCIQFWBPJTKOA-RIFZZMRRSA-N 1 0 473.959 4.192 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748890 720858151 /nfs/dbraw/zinc/85/81/51/720858151.db2.gz MUTRWNSUEHNYSQ-KCZVDYSFSA-N 1 0 480.016 4.202 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164743873 720858591 /nfs/dbraw/zinc/85/85/91/720858591.db2.gz AQORTAVCENJVJE-HFSMHLIXSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC[C@@H]2C1 ZINC001164852608 720867068 /nfs/dbraw/zinc/86/70/68/720867068.db2.gz DQLHWFOJBNDVMA-MJGOQNOKSA-N 1 0 459.015 4.185 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750076 720868296 /nfs/dbraw/zinc/86/82/96/720868296.db2.gz ITGDKARQQCJMPG-BKMJKUGQSA-N 1 0 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CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164767883 721241515 /nfs/dbraw/zinc/24/15/15/721241515.db2.gz WWMDTBYFNOJDIT-PMACEKPBSA-N 1 0 452.990 4.177 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164761392 721245551 /nfs/dbraw/zinc/24/55/51/721245551.db2.gz HYDRFOVKHDQYTK-MOPGFXCFSA-N 1 0 488.970 4.042 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1 ZINC001164881708 721299208 /nfs/dbraw/zinc/29/92/08/721299208.db2.gz XUNYOASOXFVJIB-JRFVFWCSSA-N 1 0 468.667 4.448 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164777324 721329384 /nfs/dbraw/zinc/32/93/84/721329384.db2.gz LZARVVREFIHHHV-CUNXSJBXSA-N 1 0 493.677 4.108 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4cc(Cl)ccc43)C2)C1 ZINC001164777321 721351179 /nfs/dbraw/zinc/35/11/79/721351179.db2.gz GAMZXGXYPAXIBS-XMMPIXPASA-N 1 0 455.990 4.315 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccccc43)C2)C1 ZINC001164782280 721368603 /nfs/dbraw/zinc/36/86/03/721368603.db2.gz MEKXRTMNAYGYBH-XMMPIXPASA-N 1 0 457.525 4.291 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccccc6)c54)C3)O2)CC1 ZINC001164892935 721396612 /nfs/dbraw/zinc/39/66/12/721396612.db2.gz UUVSHYIWSMUOOS-HFZDXXHNSA-N 1 0 463.651 4.124 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890476 721397315 /nfs/dbraw/zinc/39/73/15/721397315.db2.gz NMUFQBNXVOHOOC-LYZGTLIUSA-N 1 0 493.602 4.340 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(F)cc6)c54)C3)O2)CC1 ZINC001164890282 721432435 /nfs/dbraw/zinc/43/24/35/721432435.db2.gz CYXNHSOSTLZKHC-QFQXNSOFSA-N 1 0 481.641 4.263 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@H](C[NH+]4CCN(C)CC4)O5)c23)cc1 ZINC001164893162 721433081 /nfs/dbraw/zinc/43/30/81/721433081.db2.gz JNFOKKIJIGVMKV-AJTFRIOCSA-N 1 0 493.677 4.132 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893796 721442986 /nfs/dbraw/zinc/44/29/86/721442986.db2.gz KMESDQMRYXDBMX-LXFBAYGMSA-N 1 0 496.099 4.441 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888688 721445390 /nfs/dbraw/zinc/44/53/90/721445390.db2.gz AJROKAURMDLZBS-HNAYVOBHSA-N 1 0 482.925 4.064 20 0 JIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884916 721446963 /nfs/dbraw/zinc/44/69/63/721446963.db2.gz CKTPGVCWCLCXEJ-UUOWRZLLSA-N 1 0 464.988 4.240 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164790307 721457121 /nfs/dbraw/zinc/45/71/21/721457121.db2.gz YAQTVSITQKKXBH-QGZVFWFLSA-N 1 0 451.036 4.079 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164783626 721458470 /nfs/dbraw/zinc/45/84/70/721458470.db2.gz DWVAGGNIYDUYCM-SFHVURJKSA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164787897 721463218 /nfs/dbraw/zinc/46/32/18/721463218.db2.gz STTKYBBWURETHA-NRFANRHFSA-N 1 0 464.610 4.418 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164791713 721470863 /nfs/dbraw/zinc/47/08/63/721470863.db2.gz XWDZNRQSXVQSTL-IBGZPJMESA-N 1 0 478.559 4.440 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164788260 721471541 /nfs/dbraw/zinc/47/15/41/721471541.db2.gz IVQVHVGDZXEGIM-QFIPXVFZSA-N 1 0 468.617 4.325 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164894367 721479213 /nfs/dbraw/zinc/47/92/13/721479213.db2.gz HMDVSZSGIMJYTA-WREZULKGSA-N 1 0 472.649 4.068 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1 ZINC001164894369 721479220 /nfs/dbraw/zinc/47/92/20/721479220.db2.gz HMDVSZSGIMJYTA-YQIMAOPZSA-N 1 0 472.649 4.068 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4ccccc4F)c2)CC3)CC1 ZINC001164795824 721520462 /nfs/dbraw/zinc/52/04/62/721520462.db2.gz SNLKIWQTEUFHRO-UHFFFAOYSA-N 1 0 490.961 4.050 20 0 JIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164900555 721523815 /nfs/dbraw/zinc/52/38/15/721523815.db2.gz SFZXVEPOKLDPHK-UNMCSNQZSA-N 1 0 479.987 4.127 20 0 JIADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164904658 721563487 /nfs/dbraw/zinc/56/34/87/721563487.db2.gz FCOQSOIGHOUMKM-AUSIDOKSSA-N 1 0 450.514 4.067 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164804348 721583472 /nfs/dbraw/zinc/58/34/72/721583472.db2.gz JQJUXDHEJUJDBK-FJIJXJHWSA-N 1 0 453.949 4.199 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CN(Cc4cccc(OC)c4)S3(=O)=O)CC2)nc1 ZINC001164808840 721592855 /nfs/dbraw/zinc/59/28/55/721592855.db2.gz QVIUNCFPUBWLOW-SKBVVQJISA-N 1 0 498.693 4.068 20 0 JIADRO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)Oc2ccccc21 ZINC001164800707 721593363 /nfs/dbraw/zinc/59/33/63/721593363.db2.gz PCXCNWVOZFHLHV-HSZRJFAPSA-N 1 0 492.664 4.376 20 0 JIADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908320 721692300 /nfs/dbraw/zinc/69/23/00/721692300.db2.gz YHUXRHVDKQQGAG-OAQYLSRUSA-N 1 0 498.956 4.408 20 0 JIADRO COC(=O)c1ccc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907443 721699116 /nfs/dbraw/zinc/69/91/16/721699116.db2.gz SSZPOXHPFHIYCR-DEOSSOPVSA-N 1 0 452.505 4.154 20 0 JIADRO COC(=O)c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc2c1 ZINC001164905385 721700713 /nfs/dbraw/zinc/70/07/13/721700713.db2.gz ITCSDWZNDFOXSO-XMMPIXPASA-N 1 0 452.505 4.154 20 0 JIADRO COc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164904811 721703247 /nfs/dbraw/zinc/70/32/47/721703247.db2.gz GQNOVVQFYFJTQV-IBGZPJMESA-N 1 0 458.887 4.421 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)OCC ZINC001164907280 721705337 /nfs/dbraw/zinc/70/53/37/721705337.db2.gz QKLPVANMWKZSDX-HSZRJFAPSA-N 1 0 496.002 4.204 20 0 JIADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904930 721712163 /nfs/dbraw/zinc/71/21/63/721712163.db2.gz FRLOZLMPWAAMKN-FQEVSTJZSA-N 1 0 480.897 4.356 20 0 JIADRO CC1CCN(C(=O)c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)CC1 ZINC001164905477 721724057 /nfs/dbraw/zinc/72/40/57/721724057.db2.gz GPMFJCNRNLLJAD-VWLOTQADSA-N 1 0 469.580 4.086 20 0 JIADRO COc1cccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164911214 721724534 /nfs/dbraw/zinc/72/45/34/721724534.db2.gz IQSPMNAVGHOWHS-DEOSSOPVSA-N 1 0 451.521 4.285 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001165010652 721734140 /nfs/dbraw/zinc/73/41/40/721734140.db2.gz ITBQMOSVFWTKPC-UHFFFAOYSA-N 1 0 465.548 4.098 20 0 JIADRO NC(=S)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2sccc21 ZINC001164909761 721738767 /nfs/dbraw/zinc/73/87/67/721738767.db2.gz DJRPLRCMYCSISF-NRFANRHFSA-N 1 0 459.591 4.063 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165012572 721754572 /nfs/dbraw/zinc/75/45/72/721754572.db2.gz FDFKBPYUBSVTCF-RAVGUYNFSA-N 1 0 491.680 4.004 20 0 JIADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014629 721768218 /nfs/dbraw/zinc/76/82/18/721768218.db2.gz HQMUGJXXICWTPM-OAQYLSRUSA-N 1 0 463.847 4.447 20 0 JIADRO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165026683 721808253 /nfs/dbraw/zinc/80/82/53/721808253.db2.gz RZCLBDYLXYBFTJ-SCWSEQNSSA-N 1 0 468.001 4.432 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019749 721815648 /nfs/dbraw/zinc/81/56/48/721815648.db2.gz BPLJCLNFQBMHRG-ZYSHUDEJSA-N 1 0 464.944 4.198 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c(OC)cccc32)CC1 ZINC001165020202 721840977 /nfs/dbraw/zinc/84/09/77/721840977.db2.gz FYYNDECVKZGAFF-UHFFFAOYSA-N 1 0 456.974 4.410 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccc4c(c3)OCCCO4)nn2)CC1 ZINC001165023040 721844254 /nfs/dbraw/zinc/84/42/54/721844254.db2.gz WMHDHVFBLCHGMJ-UHFFFAOYSA-N 1 0 490.604 4.423 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(NC(=O)c3ccccc3)n2)CC1 ZINC001165030259 721844795 /nfs/dbraw/zinc/84/47/95/721844795.db2.gz GJKDUMUIGQOTJX-UHFFFAOYSA-N 1 0 475.593 4.155 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164927416 721868192 /nfs/dbraw/zinc/86/81/92/721868192.db2.gz VEQUWFALXLWKLH-XZOQPEGZSA-N 1 0 452.002 4.173 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CC2)nc1 ZINC001165033027 721876927 /nfs/dbraw/zinc/87/69/27/721876927.db2.gz LHXYQESMDDIRNL-HSZRJFAPSA-N 1 0 495.649 4.466 20 0 JIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccc(Cl)cc2)C1 ZINC001165040490 721893178 /nfs/dbraw/zinc/89/31/78/721893178.db2.gz XJROTMPFUUKJBB-OAHLLOKOSA-N 1 0 459.324 4.216 20 0 JIADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938302 721920952 /nfs/dbraw/zinc/92/09/52/721920952.db2.gz KYMMEYLOUZFAFP-UHFFFAOYSA-N 1 0 494.970 4.031 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)CC3)C2)cc1 ZINC001164941049 721925791 /nfs/dbraw/zinc/92/57/91/721925791.db2.gz ZSRHYAYHCYKHOS-NRFANRHFSA-N 1 0 497.043 4.359 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001164938906 721925994 /nfs/dbraw/zinc/92/59/94/721925994.db2.gz AOVCGCXHAZNIDD-UHFFFAOYSA-N 1 0 458.002 4.400 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC3)C2)cc1 ZINC001164939485 721929652 /nfs/dbraw/zinc/92/96/52/721929652.db2.gz LRRBXAVRJJKYRA-UHFFFAOYSA-N 1 0 473.955 4.403 20 0 JIADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165046632 721974177 /nfs/dbraw/zinc/97/41/77/721974177.db2.gz BSXFKZRAHLRCMF-HSALFYBXSA-N 1 0 476.616 4.071 20 0 JIADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952524 722017134 /nfs/dbraw/zinc/01/71/34/722017134.db2.gz MTUWPSQJLNIGME-LJQANCHMSA-N 1 0 468.005 4.066 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)c(OC)c1OC ZINC001164963432 722023595 /nfs/dbraw/zinc/02/35/95/722023595.db2.gz TWZYPQIDWBDMSL-UHFFFAOYSA-N 1 0 475.593 4.057 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccc(C)nn3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964609 722025274 /nfs/dbraw/zinc/02/52/74/722025274.db2.gz WYUDUTGZRQPALA-FQRUVTKNSA-N 1 0 493.681 4.052 20 0 JIADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961912 722052818 /nfs/dbraw/zinc/05/28/18/722052818.db2.gz YHCFDUVPOPSJSE-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO c1ccc(-c2nsc3c2ncnc3N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164962346 722059658 /nfs/dbraw/zinc/05/96/58/722059658.db2.gz RIBPXFJHSYETQP-UHFFFAOYSA-N 1 0 472.618 4.267 20 0 JIADRO c1ccc(SCc2nccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164965010 722062000 /nfs/dbraw/zinc/06/20/00/722062000.db2.gz HYLUWZBOSZQUCF-UHFFFAOYSA-N 1 0 461.635 4.283 20 0 JIADRO CSc1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164981781 722134791 /nfs/dbraw/zinc/13/47/91/722134791.db2.gz QKNAOCYVMZTWHK-REWPJTCUSA-N 1 0 463.607 4.113 20 0 JIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978945 722140182 /nfs/dbraw/zinc/14/01/82/722140182.db2.gz LCPOJOXVVUHIDX-XMSQKQJNSA-N 1 0 469.948 4.184 20 0 JIADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164982744 722141929 /nfs/dbraw/zinc/14/19/29/722141929.db2.gz SHCRMMKGVFSKLS-JTHBVZDNSA-N 1 0 498.656 4.364 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982570 722143703 /nfs/dbraw/zinc/14/37/03/722143703.db2.gz RQWOZFUQLNAKHP-NZQKXSOJSA-N 1 0 485.966 4.464 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971189 722155630 /nfs/dbraw/zinc/15/56/30/722155630.db2.gz BCIISJLWIWWSCG-XMSQKQJNSA-N 1 0 469.948 4.184 20 0 JIADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994059 722204836 /nfs/dbraw/zinc/20/48/36/722204836.db2.gz FBCDTKIWFYXNFQ-AREMUKBSSA-N 1 0 468.573 4.237 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CCC2 ZINC001165003448 722256690 /nfs/dbraw/zinc/25/66/90/722256690.db2.gz DKCMYPMGMVAHJU-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CCC2 ZINC001165004123 722258249 /nfs/dbraw/zinc/25/82/49/722258249.db2.gz NEVUXKDGPBXZHT-UHFFFAOYSA-N 1 0 494.949 4.166 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300643341 1069313205 /nfs/dbraw/zinc/31/32/05/1069313205.db2.gz YPXPKDRPECQRJW-URXFXBBRSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@H](C)[NH+](C)C ZINC001300643714 1069313880 /nfs/dbraw/zinc/31/38/80/1069313880.db2.gz RGDBOLKINJQLKY-SFHVURJKSA-N 1 0 463.573 4.222 20 0 JIADRO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001200709934 1069349881 /nfs/dbraw/zinc/34/98/81/1069349881.db2.gz TWZFQNXTVHRWFW-UHFFFAOYSA-N 1 0 464.351 4.462 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001300661432 1069372712 /nfs/dbraw/zinc/37/27/12/1069372712.db2.gz SWULFWZNRLIDOP-KDURUIRLSA-N 1 0 465.589 4.324 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2c(C)noc2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300667702 1069391546 /nfs/dbraw/zinc/39/15/46/1069391546.db2.gz HHDUKSCJXUEFLP-KRWDZBQOSA-N 1 0 470.643 4.305 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001200729012 1069414908 /nfs/dbraw/zinc/41/49/08/1069414908.db2.gz BDKHDTPNFGWIID-UHFFFAOYSA-N 1 0 474.630 4.220 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359347505 1069420420 /nfs/dbraw/zinc/42/04/20/1069420420.db2.gz MLHRNVGSBUDXEO-MUGAAPJKSA-N 1 0 464.658 4.176 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)c(F)c1 ZINC001359349672 1069427108 /nfs/dbraw/zinc/42/71/08/1069427108.db2.gz CGTHGQXUUWKLMV-UHFFFAOYSA-N 1 0 470.637 4.118 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300677914 1069433926 /nfs/dbraw/zinc/43/39/26/1069433926.db2.gz WXKIMOYETVDWKG-NRFANRHFSA-N 1 0 473.687 4.460 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001359361777 1069452522 /nfs/dbraw/zinc/45/25/22/1069452522.db2.gz KOVDJZSKCAGMHT-AWRGLXIESA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CCC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001359372502 1069474986 /nfs/dbraw/zinc/47/49/86/1069474986.db2.gz FXKYTMKYWSIIFT-QHCPKHFHSA-N 1 0 484.714 4.058 20 0 JIADRO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359378975 1069484450 /nfs/dbraw/zinc/48/44/50/1069484450.db2.gz GQCCUMLVTDPAJO-UHFFFAOYSA-N 1 0 491.105 4.157 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001359385641 1069492374 /nfs/dbraw/zinc/49/23/74/1069492374.db2.gz HRGCIOOZRUGDIM-RBUKOAKNSA-N 1 0 491.055 4.307 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001359397813 1069504453 /nfs/dbraw/zinc/50/44/53/1069504453.db2.gz KIADRGQYRBDUOV-UHFFFAOYSA-N 1 0 472.703 4.056 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001359411592 1069527678 /nfs/dbraw/zinc/52/76/78/1069527678.db2.gz QRHZTWZTJYHDME-UHFFFAOYSA-N 1 0 478.641 4.252 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359413033 1069533003 /nfs/dbraw/zinc/53/30/03/1069533003.db2.gz NTVDTFGHZRRCKF-LMHXZZLNSA-N 1 0 458.695 4.187 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359413482 1069534187 /nfs/dbraw/zinc/53/41/87/1069534187.db2.gz ABFFFUVZYWLTHM-VHYCJAOWSA-N 1 0 498.672 4.256 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359413663 1069535190 /nfs/dbraw/zinc/53/51/90/1069535190.db2.gz IAGOSMZAVNBSRB-NRUKRLKBSA-N 1 0 498.691 4.402 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001359414783 1069540172 /nfs/dbraw/zinc/54/01/72/1069540172.db2.gz YLUCEXFEYVVFEN-OIULLBJASA-N 1 0 482.673 4.143 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359416172 1069540656 /nfs/dbraw/zinc/54/06/56/1069540656.db2.gz ZTJMWPAINUUKJF-CAOCKLPOSA-N 1 0 496.700 4.260 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359416377 1069541828 /nfs/dbraw/zinc/54/18/28/1069541828.db2.gz DINWWYPBEGNNOJ-WMZHIEFXSA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001359423968 1069548573 /nfs/dbraw/zinc/54/85/73/1069548573.db2.gz TZUZMCOCWRZBQH-VWLOTQADSA-N 1 0 496.700 4.029 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359418047 1069545072 /nfs/dbraw/zinc/54/50/72/1069545072.db2.gz KJRQVPGIKRNGKP-XLIONFOSSA-N 1 0 493.483 4.477 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359418045 1069545131 /nfs/dbraw/zinc/54/51/31/1069545131.db2.gz KJRQVPGIKRNGKP-FXAWDEMLSA-N 1 0 493.483 4.477 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359418046 1069545191 /nfs/dbraw/zinc/54/51/91/1069545191.db2.gz KJRQVPGIKRNGKP-PXNSSMCTSA-N 1 0 493.483 4.477 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCCC2)CC1 ZINC001359425906 1069550999 /nfs/dbraw/zinc/55/09/99/1069550999.db2.gz PCSHCZGBNCEPIC-JOCHJYFZSA-N 1 0 482.673 4.016 20 0 JIADRO CC(=O)NC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359431197 1069556072 /nfs/dbraw/zinc/55/60/72/1069556072.db2.gz POLFAHZGCHXAHY-JOCHJYFZSA-N 1 0 498.722 4.348 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359432302 1069557462 /nfs/dbraw/zinc/55/74/62/1069557462.db2.gz MZXPQHSJCPXDOP-CTNGQTDRSA-N 1 0 486.730 4.214 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359432304 1069558034 /nfs/dbraw/zinc/55/80/34/1069558034.db2.gz MZXPQHSJCPXDOP-PZJWPPBQSA-N 1 0 486.730 4.214 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359433227 1069559942 /nfs/dbraw/zinc/55/99/42/1069559942.db2.gz DMKQRPOZDYWMDQ-CVDCTZTESA-N 1 0 491.055 4.211 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359433361 1069560294 /nfs/dbraw/zinc/56/02/94/1069560294.db2.gz HDARGMAPNMLFBI-XMSQKQJNSA-N 1 0 487.073 4.315 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359436493 1069564519 /nfs/dbraw/zinc/56/45/19/1069564519.db2.gz OYIUURKCXGSAAL-NZQKXSOJSA-N 1 0 487.092 4.139 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359437340 1069565479 /nfs/dbraw/zinc/56/54/79/1069565479.db2.gz CSBAHOJGGYXNCN-FBLLAGFSSA-N 1 0 472.722 4.121 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001359440008 1069570612 /nfs/dbraw/zinc/57/06/12/1069570612.db2.gz KSQVGAIHFBVLDH-IBGZPJMESA-N 1 0 454.663 4.058 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359440502 1069571447 /nfs/dbraw/zinc/57/14/47/1069571447.db2.gz ALKADNZSKHPPFS-SFHVURJKSA-N 1 0 491.055 4.211 20 0 JIADRO Cc1ccccc1Cn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492594800 1069582672 /nfs/dbraw/zinc/58/26/72/1069582672.db2.gz DBACUJAOYGFLRL-MHZLTWQESA-N 1 0 469.674 4.234 20 0 JIADRO CC(C)(C)c1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCCCC2)cc1 ZINC001359497466 1069737840 /nfs/dbraw/zinc/73/78/40/1069737840.db2.gz SPSBINOVBZRTKF-QHCPKHFHSA-N 1 0 487.714 4.132 20 0 JIADRO CC(C)(C)c1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(F)(F)F)cc1 ZINC001359498442 1069747566 /nfs/dbraw/zinc/74/75/66/1069747566.db2.gz ZHEYNPYBJOMRBI-UHFFFAOYSA-N 1 0 451.537 4.249 20 0 JIADRO CC(C)(C)c1nc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001359500290 1069757575 /nfs/dbraw/zinc/75/75/75/1069757575.db2.gz PPQVPCFWCWODRO-UHFFFAOYSA-N 1 0 453.660 4.257 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCc1ccc(F)cc1 ZINC001359504962 1069773789 /nfs/dbraw/zinc/77/37/89/1069773789.db2.gz LIVONJXLYAEIRF-UHFFFAOYSA-N 1 0 457.638 4.286 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359515465 1069802143 /nfs/dbraw/zinc/80/21/43/1069802143.db2.gz WWNAUFJCSXQTCK-UHFFFAOYSA-N 1 0 481.563 4.071 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359519474 1069806260 /nfs/dbraw/zinc/80/62/60/1069806260.db2.gz JLVWUQROZQXZBI-IEBWSBKVSA-N 1 0 493.494 4.145 20 0 JIADRO CC(C)(C)[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001359523428 1069811774 /nfs/dbraw/zinc/81/17/74/1069811774.db2.gz NVPLZXVFCANZIF-HSZRJFAPSA-N 1 0 454.663 4.171 20 0 JIADRO CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001359525253 1069814981 /nfs/dbraw/zinc/81/49/81/1069814981.db2.gz XXMPYSFUZZYQHH-OAQYLSRUSA-N 1 0 460.022 4.024 20 0 JIADRO CC(C)(C)Cc1nnc(N(CCCCO)C2CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359525622 1069815133 /nfs/dbraw/zinc/81/51/33/1069815133.db2.gz JPHVQKINUYVBEL-UHFFFAOYSA-N 1 0 463.736 4.360 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359528905 1069818752 /nfs/dbraw/zinc/81/87/52/1069818752.db2.gz AJCKSAHZYHLWFF-GOSISDBHSA-N 1 0 459.708 4.376 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359528829 1069818768 /nfs/dbraw/zinc/81/87/68/1069818768.db2.gz XVKGCMDEJGIDLJ-FYYLOGMGSA-N 1 0 457.638 4.237 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359529465 1069819580 /nfs/dbraw/zinc/81/95/80/1069819580.db2.gz UTYWBJPWBDDBPJ-GOSISDBHSA-N 1 0 494.610 4.100 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359537716 1069833118 /nfs/dbraw/zinc/83/31/18/1069833118.db2.gz MFVMUZVWVBCPCO-JOCHJYFZSA-N 1 0 484.689 4.036 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359538142 1069833771 /nfs/dbraw/zinc/83/37/71/1069833771.db2.gz FNZOTCFHYWOCGD-UHFFFAOYSA-N 1 0 462.683 4.046 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCOC[C@H]1CCOC1 ZINC001359537215 1069831655 /nfs/dbraw/zinc/83/16/55/1069831655.db2.gz ORZOEBPHHHWVIO-HSZRJFAPSA-N 1 0 487.664 4.161 20 0 JIADRO CC(C)(C)CCCn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359545807 1069849244 /nfs/dbraw/zinc/84/92/44/1069849244.db2.gz GSCZBRJMCQNBTR-XMMPIXPASA-N 1 0 453.675 4.438 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001359546577 1069850866 /nfs/dbraw/zinc/85/08/66/1069850866.db2.gz KDEIGUORQFJXQY-ATKRNPRHSA-N 1 0 461.695 4.324 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)CC1 ZINC001359546532 1069850895 /nfs/dbraw/zinc/85/08/95/1069850895.db2.gz IOVGWBTXJVOCBC-UHFFFAOYSA-N 1 0 496.121 4.372 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001359547033 1069851661 /nfs/dbraw/zinc/85/16/61/1069851661.db2.gz ZFZXHZJGKIOOMP-UHFFFAOYSA-N 1 0 450.631 4.107 20 0 JIADRO 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CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359619221 1070089594 /nfs/dbraw/zinc/08/95/94/1070089594.db2.gz NSSBCCLBPCQKSN-SANMLTNESA-N 1 0 494.728 4.269 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359619588 1070090261 /nfs/dbraw/zinc/09/02/61/1070090261.db2.gz ALHTULGTAAXGKB-NZQKXSOJSA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@@H+](C)C(C)C)C1 ZINC001359620485 1070093910 /nfs/dbraw/zinc/09/39/10/1070093910.db2.gz RWGCSQFYHFSQMH-NRFANRHFSA-N 1 0 486.730 4.357 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359622077 1070097500 /nfs/dbraw/zinc/09/75/00/1070097500.db2.gz VAVNFOBOTNGGFH-GMKZXUHWSA-N 1 0 496.700 4.043 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359624234 1070108349 /nfs/dbraw/zinc/10/83/49/1070108349.db2.gz SKSIUQMNYPHGKC-OAQYLSRUSA-N 1 0 454.663 4.053 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001359624952 1070111853 /nfs/dbraw/zinc/11/18/53/1070111853.db2.gz QZBGRJBUJQACJY-UHFFFAOYSA-N 1 0 454.663 4.195 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629574 1070141350 /nfs/dbraw/zinc/14/13/50/1070141350.db2.gz XXJVFWGSDUKUOY-CLJLJLNGSA-N 1 0 494.728 4.172 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359630641 1070146935 /nfs/dbraw/zinc/14/69/35/1070146935.db2.gz AMMLSOJPTZMONU-XZOQPEGZSA-N 1 0 466.674 4.198 20 0 JIADRO CC(C)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001359646027 1070192691 /nfs/dbraw/zinc/19/26/91/1070192691.db2.gz HWWBFWPTUQGATA-HSZRJFAPSA-N 1 0 467.683 4.468 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359649871 1070209963 /nfs/dbraw/zinc/20/99/63/1070209963.db2.gz XFFGEJYXJZMWRQ-SANMLTNESA-N 1 0 452.647 4.154 20 0 JIADRO 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CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)cn1 ZINC001359674087 1070324694 /nfs/dbraw/zinc/32/46/94/1070324694.db2.gz ATOSJJKPFVNVET-OAQYLSRUSA-N 1 0 455.651 4.192 20 0 JIADRO CC(C)c1nnc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CCO2)o1 ZINC001359675351 1070328221 /nfs/dbraw/zinc/32/82/21/1070328221.db2.gz KDIHKBVCVFZKAT-WOJBJXKFSA-N 1 0 473.666 4.216 20 0 JIADRO CC(C)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359678443 1070333508 /nfs/dbraw/zinc/33/35/08/1070333508.db2.gz FWKSBXNCXINVFL-OAQYLSRUSA-N 1 0 478.607 4.387 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359677622 1070331745 /nfs/dbraw/zinc/33/17/45/1070331745.db2.gz JPKSQHLNRTXDJT-QFIPXVFZSA-N 1 0 470.662 4.369 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359678366 1070333231 /nfs/dbraw/zinc/33/32/31/1070333231.db2.gz DGTXZBVUVHHYFR-FQEVSTJZSA-N 1 0 469.431 4.318 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359681512 1070337834 /nfs/dbraw/zinc/33/78/34/1070337834.db2.gz FYWYCMOIMFQQHX-QFIPXVFZSA-N 1 0 454.663 4.139 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359683949 1070340098 /nfs/dbraw/zinc/34/00/98/1070340098.db2.gz ORLCGUGVRUCPOC-UIOOFZCWSA-N 1 0 482.717 4.279 20 0 JIADRO CC(C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(Cl)s1 ZINC001359685085 1070341079 /nfs/dbraw/zinc/34/10/79/1070341079.db2.gz FHWIFPYLFCTFGY-UHFFFAOYSA-N 1 0 459.063 4.423 20 0 JIADRO CC(C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359690766 1070347278 /nfs/dbraw/zinc/34/72/78/1070347278.db2.gz SAZXPAHFYIEKKD-YLJYHZDGSA-N 1 0 451.537 4.202 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CCCN(C)CC(F)(F)F ZINC001359694458 1070353310 /nfs/dbraw/zinc/35/33/10/1070353310.db2.gz MGKNSPVLUISALH-FQEVSTJZSA-N 1 0 466.596 4.387 20 0 JIADRO CC(C)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCN(C)CC(F)(F)F ZINC001359696713 1070355788 /nfs/dbraw/zinc/35/57/88/1070355788.db2.gz UZHBBYJYMWSPEZ-IBGZPJMESA-N 1 0 458.617 4.377 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001359708457 1070377030 /nfs/dbraw/zinc/37/70/30/1070377030.db2.gz QEFFCEFUMDYLKB-IBGZPJMESA-N 1 0 482.620 4.134 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359708416 1070377247 /nfs/dbraw/zinc/37/72/47/1070377247.db2.gz PIPMENHVYRZFIL-QHCPKHFHSA-N 1 0 466.674 4.177 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359708974 1070377706 /nfs/dbraw/zinc/37/77/06/1070377706.db2.gz ZMBKPUPUVWECFS-XMMPIXPASA-N 1 0 469.674 4.190 20 0 JIADRO CC(C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359711476 1070379133 /nfs/dbraw/zinc/37/91/33/1070379133.db2.gz HWRMAEGMXCMUHS-UHFFFAOYSA-N 1 0 468.568 4.291 20 0 JIADRO COc1ccc(CCCn2c(C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC001315458847 1064268994 /nfs/dbraw/zinc/26/89/94/1064268994.db2.gz OKXWKDDTNQYGEQ-HSZRJFAPSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001315475010 1064322745 /nfs/dbraw/zinc/32/27/45/1064322745.db2.gz KDIIEZUGMGRXNU-UHFFFAOYSA-N 1 0 475.703 4.348 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001315476808 1064328793 /nfs/dbraw/zinc/32/87/93/1064328793.db2.gz USGPQCHRLWKJLW-QHCPKHFHSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC001315479942 1064337843 /nfs/dbraw/zinc/33/78/43/1064337843.db2.gz MJNKZRKBGNCXDD-HXUWFJFHSA-N 1 0 466.605 4.170 20 0 JIADRO COc1ccc(CN(CC2CC2)c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c(OC)c1 ZINC001315481323 1064343035 /nfs/dbraw/zinc/34/30/35/1064343035.db2.gz CGXHGURRDZGWAF-UHFFFAOYSA-N 1 0 485.673 4.120 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001315483588 1064349597 /nfs/dbraw/zinc/34/95/97/1064349597.db2.gz QDYSRVVVYJSNHX-JOCHJYFZSA-N 1 0 493.681 4.458 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(OC)n1 ZINC001315501383 1064402866 /nfs/dbraw/zinc/40/28/66/1064402866.db2.gz UPJQJZPFGQMDNW-NRFANRHFSA-N 1 0 484.689 4.418 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)cc1OC ZINC001315507372 1064427721 /nfs/dbraw/zinc/42/77/21/1064427721.db2.gz RZPIQWKDMWYVPI-ZJSXRUAMSA-N 1 0 485.673 4.229 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315509473 1064436947 /nfs/dbraw/zinc/43/69/47/1064436947.db2.gz CMQCFUBMCKZNKC-IBGZPJMESA-N 1 0 469.033 4.294 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315509584 1064436995 /nfs/dbraw/zinc/43/69/95/1064436995.db2.gz CYBHYRVODRSEHG-KRWDZBQOSA-N 1 0 455.006 4.045 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001315518588 1064474051 /nfs/dbraw/zinc/47/40/51/1064474051.db2.gz DNDQDRYAWJKKOE-UHFFFAOYSA-N 1 0 463.573 4.337 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3c(C)noc3C)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315527435 1064504641 /nfs/dbraw/zinc/50/46/41/1064504641.db2.gz VBVVOFPJTBSRRC-UHFFFAOYSA-N 1 0 482.629 4.371 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001315527469 1064505106 /nfs/dbraw/zinc/50/51/06/1064505106.db2.gz VROVAVRAVUQBSG-KRWDZBQOSA-N 1 0 469.533 4.229 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001315528726 1064508703 /nfs/dbraw/zinc/50/87/03/1064508703.db2.gz MHCVFQWSXTYABW-FCHUYYIVSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315534707 1064523902 /nfs/dbraw/zinc/52/39/02/1064523902.db2.gz UZCBGEIUVWRENM-ZEQRLZLVSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001315534745 1064524956 /nfs/dbraw/zinc/52/49/56/1064524956.db2.gz VYKQDEJSNQTTRT-NRFANRHFSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001315535985 1064527636 /nfs/dbraw/zinc/52/76/36/1064527636.db2.gz FRPSIEFCSKZIPQ-QHCPKHFHSA-N 1 0 473.662 4.236 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001315543327 1064544001 /nfs/dbraw/zinc/54/40/01/1064544001.db2.gz XEMSRRGKUBHYMQ-UHFFFAOYSA-N 1 0 462.642 4.171 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544250 1064546502 /nfs/dbraw/zinc/54/65/02/1064546502.db2.gz BTHLDAFZJHSMST-GVUKDKGQSA-N 1 0 498.716 4.388 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315546119 1064552388 /nfs/dbraw/zinc/55/23/88/1064552388.db2.gz FTVJOEFJHUHAMO-VDGAXYAQSA-N 1 0 483.579 4.334 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(C)o2)[NH+](C)C)c1 ZINC001315546133 1064552642 /nfs/dbraw/zinc/55/26/42/1064552642.db2.gz FZSJAFTVGJHTRN-XMMPIXPASA-N 1 0 460.582 4.498 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)[NH+](C)C)c1 ZINC001315546247 1064553121 /nfs/dbraw/zinc/55/31/21/1064553121.db2.gz GRTPSZAZWBTPLP-DENIHFKCSA-N 1 0 470.568 4.442 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3CCSC(C)C)CC2)c1 ZINC001315546863 1064555297 /nfs/dbraw/zinc/55/52/97/1064555297.db2.gz YHJGKHZULBCKIS-HXUWFJFHSA-N 1 0 466.655 4.374 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001315547181 1064556401 /nfs/dbraw/zinc/55/64/01/1064556401.db2.gz NMBHQXOEZQCGAB-QFIPXVFZSA-N 1 0 454.619 4.419 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+]2CCCC2)c1 ZINC001315547370 1064556948 /nfs/dbraw/zinc/55/69/48/1064556948.db2.gz PPINHWBTFLDCRA-OFNKIYASSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)[NH+](C)C)c1 ZINC001315547988 1064558349 /nfs/dbraw/zinc/55/83/49/1064558349.db2.gz WHUVZIHNCYAJPR-BJKOFHAPSA-N 1 0 471.646 4.225 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(OC)C2)[NH+](C)C)c1 ZINC001315548050 1064559325 /nfs/dbraw/zinc/55/93/25/1064559325.db2.gz FQMVXIMQCUBWEY-OZXSUGGESA-N 1 0 455.647 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCN([C@@H](C)c4nccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548420 1064560559 /nfs/dbraw/zinc/56/05/59/1064560559.db2.gz IMABXUXVBVCPQG-UGKGYDQZSA-N 1 0 497.713 4.227 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@](C)(OC)CC2)[NH+](C)C)c1 ZINC001315548716 1064561602 /nfs/dbraw/zinc/56/16/02/1064561602.db2.gz LYDVESQSPHICFG-OZXSUGGESA-N 1 0 498.697 4.341 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315549723 1064564884 /nfs/dbraw/zinc/56/48/84/1064564884.db2.gz SRVXJPOMVQKZKR-BGYRXZFFSA-N 1 0 469.655 4.459 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315555234 1064573804 /nfs/dbraw/zinc/57/38/04/1064573804.db2.gz GDFQPAWFTSYPMT-DPLHUUCSSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001315563702 1064592591 /nfs/dbraw/zinc/59/25/91/1064592591.db2.gz OVGDCEMMFOWZHP-HHHXNRCGSA-N 1 0 469.674 4.453 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001315566773 1064599257 /nfs/dbraw/zinc/59/92/57/1064599257.db2.gz IMAJDFSBJLOYJT-REWPJTCUSA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315577110 1064635582 /nfs/dbraw/zinc/63/55/82/1064635582.db2.gz YRMUMCHBFXNZIN-YIXXDRMTSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001315590419 1064677299 /nfs/dbraw/zinc/67/72/99/1064677299.db2.gz DHMLBSRJOYWRPO-RBUKOAKNSA-N 1 0 455.628 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315593625 1064688259 /nfs/dbraw/zinc/68/82/59/1064688259.db2.gz JBJBEQXFAMLBTA-UHFFFAOYSA-N 1 0 472.037 4.099 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2cccs2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001315593771 1064689124 /nfs/dbraw/zinc/68/91/24/1064689124.db2.gz NDEJPDDDFIHEEK-FQEVSTJZSA-N 1 0 469.655 4.051 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315595435 1064694023 /nfs/dbraw/zinc/69/40/23/1064694023.db2.gz CGUQPZRDPWIZNX-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001315596630 1064697474 /nfs/dbraw/zinc/69/74/74/1064697474.db2.gz MILIKUFJMOABRF-FQEVSTJZSA-N 1 0 479.547 4.009 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315599071 1064703642 /nfs/dbraw/zinc/70/36/42/1064703642.db2.gz OZKJBIUHGLKYDU-FQEVSTJZSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001315600762 1064708679 /nfs/dbraw/zinc/70/86/79/1064708679.db2.gz PMWFQKHXHNLMOS-YKSBVNFPSA-N 1 0 455.647 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315602818 1064713175 /nfs/dbraw/zinc/71/31/75/1064713175.db2.gz QDJBUIHDGROKRW-JOCHJYFZSA-N 1 0 482.673 4.054 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001315604018 1064716394 /nfs/dbraw/zinc/71/63/94/1064716394.db2.gz DTOBYHZOICKDGK-VWLOTQADSA-N 1 0 469.655 4.234 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCOC(C)C ZINC001315605068 1064718535 /nfs/dbraw/zinc/71/85/35/1064718535.db2.gz RYCLJQTUHDMVRF-YADHBBJMSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001315605253 1064719052 /nfs/dbraw/zinc/71/90/52/1064719052.db2.gz SECPQGSBOQSPLJ-GOSISDBHSA-N 1 0 481.563 4.091 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315605592 1064719626 /nfs/dbraw/zinc/71/96/26/1064719626.db2.gz VOZBSZOAERXRQP-DHIUTWEWSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001315606560 1064722973 /nfs/dbraw/zinc/72/29/73/1064722973.db2.gz JGOQLGIFFUKBCY-IBGZPJMESA-N 1 0 486.661 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315608938 1064727927 /nfs/dbraw/zinc/72/79/27/1064727927.db2.gz ZDEBETNSDOQUGV-WIYYLYMNSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315610250 1064729989 /nfs/dbraw/zinc/72/99/89/1064729989.db2.gz VBFQVELEIDECBN-URXFXBBRSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315614567 1064739105 /nfs/dbraw/zinc/73/91/05/1064739105.db2.gz WRAZRPLQGZHXSS-BUEREQSYSA-N 1 0 479.673 4.265 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315616507 1064743986 /nfs/dbraw/zinc/74/39/86/1064743986.db2.gz VTJPYMJAEGVEDD-CCLHPLFOSA-N 1 0 479.673 4.066 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001315616867 1064745179 /nfs/dbraw/zinc/74/51/79/1064745179.db2.gz ALLDUHSNOQFCRR-NRFANRHFSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315618669 1064749185 /nfs/dbraw/zinc/74/91/85/1064749185.db2.gz OZAIGLJIKKBBKP-NHCUHLMSSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315620211 1064753694 /nfs/dbraw/zinc/75/36/94/1064753694.db2.gz IBXAJRXHFOEXAV-FQEVSTJZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315622375 1064758863 /nfs/dbraw/zinc/75/88/63/1064758863.db2.gz YTNIXZPIHDODFT-JOCHJYFZSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315623622 1064761871 /nfs/dbraw/zinc/76/18/71/1064761871.db2.gz AIONCJAXKXLOST-OFVILXPXSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315623760 1064762553 /nfs/dbraw/zinc/76/25/53/1064762553.db2.gz CAASTMWBZLRIPS-OAQYLSRUSA-N 1 0 488.474 4.487 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315626766 1064770840 /nfs/dbraw/zinc/77/08/40/1064770840.db2.gz WQDPGPQUNSFDRT-VXKWHMMOSA-N 1 0 499.700 4.159 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315626890 1064771508 /nfs/dbraw/zinc/77/15/08/1064771508.db2.gz WSUOIVHMWFTEDB-LJQANCHMSA-N 1 0 488.474 4.488 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCOC(C)C ZINC001315627273 1064772688 /nfs/dbraw/zinc/77/26/88/1064772688.db2.gz JZVAGDQRCMYUFW-QHCPKHFHSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001315629453 1064777553 /nfs/dbraw/zinc/77/75/53/1064777553.db2.gz MSWUVYHMGBQONE-UHFFFAOYSA-N 1 0 496.656 4.149 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)C(C)C ZINC001315629772 1064778171 /nfs/dbraw/zinc/77/81/71/1064778171.db2.gz OFPLXMNISTUUHD-OAQYLSRUSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001315629614 1064778469 /nfs/dbraw/zinc/77/84/69/1064778469.db2.gz OKHHBTDDDIIREJ-UHFFFAOYSA-N 1 0 488.558 4.260 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001315630073 1064779087 /nfs/dbraw/zinc/77/90/87/1064779087.db2.gz VGBPIHCIVYUHBF-VWNXMTODSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315633690 1064788269 /nfs/dbraw/zinc/78/82/69/1064788269.db2.gz YJQWIDYYNIHDQX-PCCBWWKXSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1CN(C)c1nnc(CC(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001315638479 1064797694 /nfs/dbraw/zinc/79/76/94/1064797694.db2.gz GOQDMJKEOMVAHY-UHFFFAOYSA-N 1 0 469.674 4.404 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(C2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315641954 1064806349 /nfs/dbraw/zinc/80/63/49/1064806349.db2.gz UMDWMORCRRDHIQ-UHFFFAOYSA-N 1 0 455.647 4.065 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315643595 1064809808 /nfs/dbraw/zinc/80/98/08/1064809808.db2.gz PAGPDVXECBRKDE-YADHBBJMSA-N 1 0 468.690 4.322 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001315652496 1064835569 /nfs/dbraw/zinc/83/55/69/1064835569.db2.gz SXFJTVJDPFAWLK-AQNXPRMDSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC=C(Br)C2)n1CC[N@H+](C)C1CCCC1 ZINC001315654019 1064840355 /nfs/dbraw/zinc/84/03/55/1064840355.db2.gz CWDVGGDUARYWFQ-UHFFFAOYSA-N 1 0 490.446 4.229 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2scnc2C)n1CC1([NH+](C)C)CCC1 ZINC001315660188 1064856881 /nfs/dbraw/zinc/85/68/81/1064856881.db2.gz AISHHCWVFDVPJE-UHFFFAOYSA-N 1 0 472.684 4.465 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC(C)C ZINC001315661492 1064860951 /nfs/dbraw/zinc/86/09/51/1064860951.db2.gz GXOAJXUFEBYULS-NBGIEHNGSA-N 1 0 497.713 4.488 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCCCO2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315662421 1064865426 /nfs/dbraw/zinc/86/54/26/1064865426.db2.gz VTSRPZCKCMFNRS-NHCUHLMSSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCCO2)n1CC[NH+]1CCCCCC1 ZINC001315662537 1064866049 /nfs/dbraw/zinc/86/60/49/1064866049.db2.gz RDZJGLQHDRHXRG-HXUWFJFHSA-N 1 0 459.660 4.070 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1(C)CCOCC1 ZINC001315662719 1064866791 /nfs/dbraw/zinc/86/67/91/1064866791.db2.gz BRLMTBQZNLHJQY-UHFFFAOYSA-N 1 0 473.687 4.363 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCO[C@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315664167 1064873516 /nfs/dbraw/zinc/87/35/16/1064873516.db2.gz GXHOTRYWIVBRAH-LEWJYISDSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC=C(C)C ZINC001315665359 1064877783 /nfs/dbraw/zinc/87/77/83/1064877783.db2.gz PNDGVJBESBNEOE-UHFFFAOYSA-N 1 0 495.697 4.381 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001315665448 1064878810 /nfs/dbraw/zinc/87/88/10/1064878810.db2.gz QSZNPJVJPGHQPK-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001315667311 1064886293 /nfs/dbraw/zinc/88/62/93/1064886293.db2.gz CPGIWVYLHBYAKK-LJQANCHMSA-N 1 0 461.701 4.397 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001315668802 1064893402 /nfs/dbraw/zinc/89/34/02/1064893402.db2.gz RIQHSVGJUXHPKX-NRFANRHFSA-N 1 0 461.676 4.171 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315669400 1064896760 /nfs/dbraw/zinc/89/67/60/1064896760.db2.gz JULSLRQTLHWODL-BDTNDASRSA-N 1 0 487.714 4.298 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001315691296 1064947679 /nfs/dbraw/zinc/94/76/79/1064947679.db2.gz ILTHJFZRTLKNBN-VLVHOKLOSA-N 1 0 492.064 4.186 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315691811 1064948338 /nfs/dbraw/zinc/94/83/38/1064948338.db2.gz KYESNHWVIYBUQN-PMACEKPBSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315696590 1064958488 /nfs/dbraw/zinc/95/84/88/1064958488.db2.gz LXLBGODFOIIGAB-FQEVSTJZSA-N 1 0 462.436 4.055 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001315704989 1064973122 /nfs/dbraw/zinc/97/31/22/1064973122.db2.gz QGFDUVHTIZGZJV-HSZRJFAPSA-N 1 0 487.664 4.473 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2cccc(C)c2)CC1 ZINC001315704987 1064973163 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MAGJZLRRHNQRJN-HKUYNNGSSA-N 1 0 450.052 4.323 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4ccc(C)o4)nnc3N(C)CC(F)(F)F)CCCC2)CC1 ZINC001315710894 1064987578 /nfs/dbraw/zinc/98/75/78/1064987578.db2.gz ZWSLOXHLHOSWTL-UHFFFAOYSA-N 1 0 455.525 4.269 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315711266 1064988059 /nfs/dbraw/zinc/98/80/59/1064988059.db2.gz ANHQXMZWKZXOEZ-FZZWXMEGSA-N 1 0 499.700 4.395 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC[C@H]1C ZINC001315711955 1064991441 /nfs/dbraw/zinc/99/14/41/1064991441.db2.gz HNJIMDBTPIUSRI-MDASCCDHSA-N 1 0 493.475 4.261 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001315712670 1064994912 /nfs/dbraw/zinc/99/49/12/1064994912.db2.gz LNPBWVLIWNAEGJ-XLIONFOSSA-N 1 0 493.494 4.409 20 0 JIADRO CO[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315716781 1065007586 /nfs/dbraw/zinc/00/75/86/1065007586.db2.gz 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MKDWDGUMBJWZHZ-UHFFFAOYSA-N 1 0 491.459 4.204 20 0 JIADRO COCCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001316057628 1065694474 /nfs/dbraw/zinc/69/44/74/1065694474.db2.gz WGZIZFSLPYFKQH-UHFFFAOYSA-N 1 0 464.452 4.302 20 0 JIADRO COCCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316059742 1065698362 /nfs/dbraw/zinc/69/83/62/1065698362.db2.gz RQLUTIIZYGRGSW-ZJSXRUAMSA-N 1 0 453.656 4.291 20 0 JIADRO COCC[N@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001316062342 1065700043 /nfs/dbraw/zinc/70/00/43/1065700043.db2.gz CSYRPECXFYOTDP-SFHVURJKSA-N 1 0 465.520 4.438 20 0 JIADRO COCC[N@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001316064709 1065703092 /nfs/dbraw/zinc/70/30/92/1065703092.db2.gz BFUOEHHMHVMBCU-IEBWSBKVSA-N 1 0 492.546 4.203 20 0 JIADRO COCC[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001316066629 1065705229 /nfs/dbraw/zinc/70/52/29/1065705229.db2.gz QTHHPXDVYNMNME-UHFFFAOYSA-N 1 0 453.622 4.385 20 0 JIADRO COCC[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 ZINC001316067761 1065706165 /nfs/dbraw/zinc/70/61/65/1065706165.db2.gz JKUMQTKGGBMMQC-QGZVFWFLSA-N 1 0 496.425 4.014 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCSC2)C1 ZINC001316068432 1065707300 /nfs/dbraw/zinc/70/73/00/1065707300.db2.gz JWZSONRORMVTME-NRFANRHFSA-N 1 0 470.470 4.164 20 0 JIADRO COCC[N@H+](C)CCCn1c(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001316068955 1065708042 /nfs/dbraw/zinc/70/80/42/1065708042.db2.gz VSJRZSGNJBMYNL-OYRHEFFESA-N 1 0 475.628 4.444 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001316069159 1065708616 /nfs/dbraw/zinc/70/86/16/1065708616.db2.gz PCFVJGUZQFEWFX-SFHVURJKSA-N 1 0 482.456 4.083 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316069715 1065709117 /nfs/dbraw/zinc/70/91/17/1065709117.db2.gz INVHVEIURVDXEG-UHFFFAOYSA-N 1 0 474.531 4.079 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001316069760 1065709420 /nfs/dbraw/zinc/70/94/20/1065709420.db2.gz JLFZWXWIYCUUOL-HXUWFJFHSA-N 1 0 462.436 4.055 20 0 JIADRO COCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001316070337 1065710039 /nfs/dbraw/zinc/71/00/39/1065710039.db2.gz AFFASULTXZMJCJ-HXUWFJFHSA-N 1 0 483.579 4.042 20 0 JIADRO COCCN(c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@H]1CC[C@H](C)C1 ZINC001316078737 1065722012 /nfs/dbraw/zinc/72/20/12/1065722012.db2.gz JCCXGBMKSUYXNN-YGWSKSRPSA-N 1 0 454.663 4.492 20 0 JIADRO COCCN(c1nnc(-c2ccccc2OC)n1CC[NH+]1CCC(C)CC1)[C@H]1CC[C@H](C)C1 ZINC001316078744 1065722583 /nfs/dbraw/zinc/72/25/83/1065722583.db2.gz JDXSECHYVKAZLO-VXKWHMMOSA-N 1 0 455.647 4.327 20 0 JIADRO COCCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[C@@H](C)C1 ZINC001316083720 1065732394 /nfs/dbraw/zinc/73/23/94/1065732394.db2.gz WOESXPAECZXKRH-SFHLNBCPSA-N 1 0 456.660 4.289 20 0 JIADRO COCCN(c1nnc(Cc2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@@H]1CC[C@H](C)C1 ZINC001316084571 1065734818 /nfs/dbraw/zinc/73/48/18/1065734818.db2.gz LQYWONHUNNIHGF-VSBUBRIKSA-N 1 0 468.690 4.416 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCSCC(F)(F)F)C[C@H]1C ZINC001316125618 1065796371 /nfs/dbraw/zinc/79/63/71/1065796371.db2.gz SECXXIWORGXDPA-OAHLLOKOSA-N 1 0 477.984 4.051 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCc2cccs2)C[C@H]1C ZINC001316129817 1065801846 /nfs/dbraw/zinc/80/18/46/1065801846.db2.gz RUQBKFATYIMKSR-QGZVFWFLSA-N 1 0 490.471 4.169 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C ZINC001316138749 1065804711 /nfs/dbraw/zinc/80/47/11/1065804711.db2.gz UPGXIGFWKYBMSD-YZGWKJHDSA-N 1 0 457.585 4.461 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCC2(F)F)C[C@@H]1C ZINC001316139672 1065806095 /nfs/dbraw/zinc/80/60/95/1065806095.db2.gz BWLFHUMAXFZPLB-UWHLTILDSA-N 1 0 483.648 4.179 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cscc2C)C[C@H]1C ZINC001316139946 1065806206 /nfs/dbraw/zinc/80/62/06/1065806206.db2.gz DOTXJKPPTITCAG-GOSISDBHSA-N 1 0 476.046 4.086 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001316140179 1065806805 /nfs/dbraw/zinc/80/68/05/1065806805.db2.gz IXTQQRFTFFGLMC-IRLDBZIGSA-N 1 0 475.703 4.097 20 0 JIADRO COCCO[C@H](C)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316157040 1065821069 /nfs/dbraw/zinc/82/10/69/1065821069.db2.gz PUFMAPTYUNOJJO-SJLPKXTDSA-N 1 0 498.466 4.114 20 0 JIADRO COCCO[C@H](C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316166737 1065836819 /nfs/dbraw/zinc/83/68/19/1065836819.db2.gz KAPLVSQHIDEDAH-ZWKOTPCHSA-N 1 0 492.462 4.017 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001316176401 1065853781 /nfs/dbraw/zinc/85/37/81/1065853781.db2.gz QIFLFSJIAKAUJG-ISKFKSNPSA-N 1 0 455.647 4.384 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(F)(F)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001316180618 1065861752 /nfs/dbraw/zinc/86/17/52/1065861752.db2.gz NXAUCCDONUNGJT-GOSISDBHSA-N 1 0 483.629 4.211 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316182326 1065865037 /nfs/dbraw/zinc/86/50/37/1065865037.db2.gz AKGQZFWHSUEHTD-GOSISDBHSA-N 1 0 477.600 4.108 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316183063 1065865964 /nfs/dbraw/zinc/86/59/64/1065865964.db2.gz HDWFBQZPNWTNFQ-GCJKJVERSA-N 1 0 491.080 4.124 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316185539 1065871483 /nfs/dbraw/zinc/87/14/83/1065871483.db2.gz VMWDPDLGCWONJE-XMSQKQJNSA-N 1 0 476.065 4.339 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316194073 1065887349 /nfs/dbraw/zinc/88/73/49/1065887349.db2.gz YDGJYDDBTZTBKI-ISKFKSNPSA-N 1 0 485.673 4.010 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1cc(C)cc(C)c1 ZINC001316195705 1065890012 /nfs/dbraw/zinc/89/00/12/1065890012.db2.gz AAHYJTIVFRVQDR-QHCPKHFHSA-N 1 0 469.674 4.316 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001316196450 1065891500 /nfs/dbraw/zinc/89/15/00/1065891500.db2.gz DPFJWALPLYNITG-IBGZPJMESA-N 1 0 492.734 4.309 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCc2cc(OC)ccc21 ZINC001316197482 1065893368 /nfs/dbraw/zinc/89/33/68/1065893368.db2.gz ITTFQFWSMRPVJW-GGAORHGYSA-N 1 0 499.700 4.441 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CC(c2ccccc2)C1 ZINC001316200178 1065897744 /nfs/dbraw/zinc/89/77/44/1065897744.db2.gz PUWPNEJKMLIBHX-ZLHNRXBCSA-N 1 0 455.647 4.116 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(C)cc1SC ZINC001316204845 1065905772 /nfs/dbraw/zinc/90/57/72/1065905772.db2.gz AAZYSZUORHJRFS-FQEVSTJZSA-N 1 0 473.687 4.145 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316212185 1065917756 /nfs/dbraw/zinc/91/77/56/1065917756.db2.gz VZWCIZAVCVHIBK-DHLKQENFSA-N 1 0 499.700 4.288 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCCC1(F)F ZINC001316217784 1065929851 /nfs/dbraw/zinc/92/98/51/1065929851.db2.gz VRIVRWHPUVTDHT-WOJBJXKFSA-N 1 0 471.637 4.386 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001316218348 1065930392 /nfs/dbraw/zinc/93/03/92/1065930392.db2.gz WZPKDUYTHRXSOK-JRGCBEDISA-N 1 0 499.553 4.298 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001316231919 1065958184 /nfs/dbraw/zinc/95/81/84/1065958184.db2.gz AJAPCGPEEDENHC-CTNGQTDRSA-N 1 0 489.730 4.351 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001316240912 1065980597 /nfs/dbraw/zinc/98/05/97/1065980597.db2.gz IEHMKLHHTYCQFQ-GHTZIAJQSA-N 1 0 494.036 4.344 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316269482 1066012634 /nfs/dbraw/zinc/01/26/34/1066012634.db2.gz ISLXBAXSRFJJDP-KIZRIRGWSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001316270656 1066014854 /nfs/dbraw/zinc/01/48/54/1066014854.db2.gz AJBLXQBTXJENGH-AVRDEDQJSA-N 1 0 495.590 4.320 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CCC[NH+]1CCCCC1 ZINC001316271503 1066017034 /nfs/dbraw/zinc/01/70/34/1066017034.db2.gz GEGVMNCPFTVJMS-YDHSSHFGSA-N 1 0 477.600 4.354 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316272187 1066018437 /nfs/dbraw/zinc/01/84/37/1066018437.db2.gz JEWBTUTVOHFKJI-DXKRWKNPSA-N 1 0 453.587 4.095 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316273806 1066021962 /nfs/dbraw/zinc/02/19/62/1066021962.db2.gz RFOLKDUZGCPHJT-JDBUVZGPSA-N 1 0 473.637 4.459 20 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XIUZGRTVYPMBFL-DVKRWUGUSA-N 1 0 491.721 4.010 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001316286051 1066042934 /nfs/dbraw/zinc/04/29/34/1066042934.db2.gz PBKRNIMUCRKSMH-PUHATCMVSA-N 1 0 455.647 4.007 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001316288228 1066046305 /nfs/dbraw/zinc/04/63/05/1066046305.db2.gz WGCKWWBJSOQQIK-VXNXHJTFSA-N 1 0 491.721 4.156 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC(C)(C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001316290457 1066049774 /nfs/dbraw/zinc/04/97/74/1066049774.db2.gz BCIDCTSVJRVHPB-GOTSBHOMSA-N 1 0 455.647 4.151 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001316290787 1066050280 /nfs/dbraw/zinc/05/02/80/1066050280.db2.gz CKZSJSVOKABASP-VLSUOOLDSA-N 1 0 459.610 4.071 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001316290784 1066050355 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CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc3c(c2)CCCC3)c1C ZINC001325867763 1066273078 /nfs/dbraw/zinc/27/30/78/1066273078.db2.gz WJVNEJOBZZNNBS-UHFFFAOYSA-O 1 0 468.643 4.422 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316432323 1066273453 /nfs/dbraw/zinc/27/34/53/1066273453.db2.gz UYXSYMPTBCGENT-WOJBJXKFSA-N 1 0 461.651 4.450 20 0 JIADRO CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001326471168 1066298214 /nfs/dbraw/zinc/29/82/14/1066298214.db2.gz QWSNDWLLQXMMLD-SANMLTNESA-N 1 0 492.664 4.097 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC001326470954 1066298273 /nfs/dbraw/zinc/29/82/73/1066298273.db2.gz PUWSNWBHLIWBAR-NRFANRHFSA-N 1 0 495.027 4.231 20 0 JIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1 ZINC001326561470 1066300713 /nfs/dbraw/zinc/30/07/13/1066300713.db2.gz HFACFZGKJCCGNG-UHFFFAOYSA-N 1 0 462.575 4.396 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001316444866 1066312707 /nfs/dbraw/zinc/31/27/07/1066312707.db2.gz KLIMMIOBQUNKCA-DHIUTWEWSA-N 1 0 493.725 4.437 20 0 JIADRO COc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1OCC(N)=O ZINC001327192369 1066312873 /nfs/dbraw/zinc/31/28/73/1066312873.db2.gz QRKIDGIJAPVEDL-OAQYLSRUSA-N 1 0 486.037 4.163 20 0 JIADRO COc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1OCC(N)=O ZINC001327192368 1066313173 /nfs/dbraw/zinc/31/31/73/1066313173.db2.gz QRKIDGIJAPVEDL-NRFANRHFSA-N 1 0 486.037 4.163 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC001492503829 1066316872 /nfs/dbraw/zinc/31/68/72/1066316872.db2.gz XGTBASRYOAATPM-XMMPIXPASA-N 1 0 476.669 4.464 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001316446432 1066317703 /nfs/dbraw/zinc/31/77/03/1066317703.db2.gz UETGREQYQAGUDS-DVECYGJZSA-N 1 0 485.727 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492505180 1066323009 /nfs/dbraw/zinc/32/30/09/1066323009.db2.gz VECJREZMTWDNRE-OAQYLSRUSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492505668 1066324161 /nfs/dbraw/zinc/32/41/61/1066324161.db2.gz CWEAUQZJAORIBD-SPEDKVCISA-N 1 0 454.619 4.421 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316449700 1066327080 /nfs/dbraw/zinc/32/70/80/1066327080.db2.gz IWZOANGQNOJQSM-SXWKCWPCSA-N 1 0 473.687 4.489 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492507043 1066329679 /nfs/dbraw/zinc/32/96/79/1066329679.db2.gz XJELHDSPBRKGNE-ZJSXRUAMSA-N 1 0 495.716 4.146 20 0 JIADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](Oc4ccnc(C[N@H+](C)CC)c4)C3)cc2s1 ZINC001328858483 1066330966 /nfs/dbraw/zinc/33/09/66/1066330966.db2.gz RRYGKYGMCMHAPS-GOSISDBHSA-N 1 0 473.668 4.344 20 0 JIADRO CSCCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316451270 1066330994 /nfs/dbraw/zinc/33/09/94/1066330994.db2.gz DNYHCNIOQKPZLG-UHFFFAOYSA-N 1 0 493.743 4.193 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492510627 1066341407 /nfs/dbraw/zinc/34/14/07/1066341407.db2.gz XSRNDMASRXIJIE-CALCHBBNSA-N 1 0 465.429 4.047 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492513327 1066352852 /nfs/dbraw/zinc/35/28/52/1066352852.db2.gz AHMWANSBXYQJNT-VQTJNVASSA-N 1 0 480.579 4.317 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492514215 1066354708 /nfs/dbraw/zinc/35/47/08/1066354708.db2.gz LLROIISKYOBECI-UXHICEINSA-N 1 0 480.579 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2CC(F)(F)Br)n1 ZINC001492515580 1066360661 /nfs/dbraw/zinc/36/06/61/1066360661.db2.gz DSYIHCKSLPKDBM-UHFFFAOYSA-N 1 0 491.384 4.349 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001316467492 1066371882 /nfs/dbraw/zinc/37/18/82/1066371882.db2.gz ATPLQLHLNRCUSW-HNNXBMFYSA-N 1 0 452.466 4.380 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492517594 1066374070 /nfs/dbraw/zinc/37/40/70/1066374070.db2.gz YLXUUGHNHUOORZ-UHFFFAOYSA-N 1 0 497.688 4.218 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccncc2Cl)n1 ZINC001492518548 1066379141 /nfs/dbraw/zinc/37/91/41/1066379141.db2.gz JBQGGJWHHWOCLI-UHFFFAOYSA-N 1 0 454.022 4.303 20 0 JIADRO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001316472594 1066380499 /nfs/dbraw/zinc/38/04/99/1066380499.db2.gz CTXPZRUTUXLVAP-HOTGVXAUSA-N 1 0 450.450 4.134 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492519700 1066383119 /nfs/dbraw/zinc/38/31/19/1066383119.db2.gz TVIHISWKIBCMCS-XZOQPEGZSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001492520863 1066387924 /nfs/dbraw/zinc/38/79/24/1066387924.db2.gz WVMHRNSFLDFYRY-PGRDOPGGSA-N 1 0 452.578 4.094 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001316480990 1066396152 /nfs/dbraw/zinc/39/61/52/1066396152.db2.gz XWFKEGQLGULDRE-MNEFBYGVSA-N 1 0 490.471 4.279 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@@H](C)[NH+](C)C)C2)c1 ZINC001492524317 1066397891 /nfs/dbraw/zinc/39/78/91/1066397891.db2.gz KSAZDGWTAOSILK-SJLPKXTDSA-N 1 0 457.420 4.288 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001316487239 1066409379 /nfs/dbraw/zinc/40/93/79/1066409379.db2.gz JVZPJAUYVDHNNL-WOJBJXKFSA-N 1 0 486.661 4.451 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)C[C@@H]1F ZINC001316489612 1066421259 /nfs/dbraw/zinc/42/12/59/1066421259.db2.gz QJSPMEAXQKVUBX-FSSWDIPSSA-N 1 0 492.684 4.453 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001316497062 1066448607 /nfs/dbraw/zinc/44/86/07/1066448607.db2.gz PYHYQEXHMIHIJX-FUHIMQAGSA-N 1 0 476.463 4.442 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC001316502244 1066464180 /nfs/dbraw/zinc/46/41/80/1066464180.db2.gz GMHPLZYEDAMXDB-BGYRXZFFSA-N 1 0 457.663 4.356 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001316503318 1066468409 /nfs/dbraw/zinc/46/84/09/1066468409.db2.gz JPQSQUAMNBLIOO-OYRHEFFESA-N 1 0 489.108 4.266 20 0 JIADRO FC(F)(F)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCC2)CCO1 ZINC001316510584 1066494741 /nfs/dbraw/zinc/49/47/41/1066494741.db2.gz PUUIFRYXWXZCED-CQSZACIVSA-N 1 0 494.381 4.023 20 0 JIADRO FC(F)(F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316512073 1066499307 /nfs/dbraw/zinc/49/93/07/1066499307.db2.gz HCHCCVVXDBFFOB-UHFFFAOYSA-N 1 0 461.330 4.053 20 0 JIADRO FC(F)(F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316513325 1066502275 /nfs/dbraw/zinc/50/22/75/1066502275.db2.gz OQOQQGZHNHHHCR-AWEZNQCLSA-N 1 0 464.319 4.401 20 0 JIADRO FC(F)(F)CN1CCN(c2nnc(Cc3ccsc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001316514421 1066505952 /nfs/dbraw/zinc/50/59/52/1066505952.db2.gz QFHKZDCXFYIVNV-UHFFFAOYSA-N 1 0 484.636 4.271 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC[N@H+](C)Cc2ccccc2)cc1OC ZINC001337754255 1066507847 /nfs/dbraw/zinc/50/78/47/1066507847.db2.gz LMYRHLLSVKITRG-UHFFFAOYSA-N 1 0 470.573 4.418 20 0 JIADRO FC(F)(F)SCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316516316 1066513012 /nfs/dbraw/zinc/51/30/12/1066513012.db2.gz BHFJANPPRZDQOP-HNNXBMFYSA-N 1 0 475.968 4.010 20 0 JIADRO FC(F)(F)OCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316516710 1066514908 /nfs/dbraw/zinc/51/49/08/1066514908.db2.gz ZJXFMYBXVCROTJ-HXUWFJFHSA-N 1 0 473.584 4.191 20 0 JIADRO FC(F)(F)SCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316516945 1066515997 /nfs/dbraw/zinc/51/59/97/1066515997.db2.gz IDYYFAJCNFNJGQ-QZTJIDSGSA-N 1 0 461.598 4.475 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001337903279 1066519264 /nfs/dbraw/zinc/51/92/64/1066519264.db2.gz XQJRMXBMHZIIEB-FQEVSTJZSA-N 1 0 462.594 4.407 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001337903281 1066519402 /nfs/dbraw/zinc/51/94/02/1066519402.db2.gz XQJRMXBMHZIIEB-HXUWFJFHSA-N 1 0 462.594 4.407 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC001337930413 1066521002 /nfs/dbraw/zinc/52/10/02/1066521002.db2.gz YLVJUWSBOXUGIR-UHFFFAOYSA-N 1 0 455.605 4.075 20 0 JIADRO FC(F)Oc1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001316520116 1066523864 /nfs/dbraw/zinc/52/38/64/1066523864.db2.gz HTQZKDWCZJSTJC-GOSISDBHSA-N 1 0 485.526 4.140 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001338004657 1066524178 /nfs/dbraw/zinc/52/41/78/1066524178.db2.gz VJTPIOMWGHWNCD-INIZCTEOSA-N 1 0 467.994 4.050 20 0 JIADRO FC(F)OCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316520693 1066525817 /nfs/dbraw/zinc/52/58/17/1066525817.db2.gz LVYHHHVCGLLRDD-ZDUSSCGKSA-N 1 0 476.391 4.073 20 0 JIADRO O=C(c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001338090545 1066529813 /nfs/dbraw/zinc/52/98/13/1066529813.db2.gz XPEYGBOBLBRDLK-OAHLLOKOSA-N 1 0 452.908 4.344 20 0 JIADRO Fc1ccc(-c2nnc(N3CCSCC3)n2CC[NH+]2CCCCCC2)c(Br)c1 ZINC001316522462 1066530266 /nfs/dbraw/zinc/53/02/66/1066530266.db2.gz ROAJHYUBFYJABE-UHFFFAOYSA-N 1 0 468.440 4.276 20 0 JIADRO Fc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[NH+]2CCCCC2)cc1 ZINC001316525323 1066538738 /nfs/dbraw/zinc/53/87/38/1066538738.db2.gz VSQCYRFFAYYQPW-UHFFFAOYSA-N 1 0 453.484 4.181 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1OC ZINC001338363378 1066549602 /nfs/dbraw/zinc/54/96/02/1066549602.db2.gz CUEVEBQRGUEMAR-UHFFFAOYSA-N 1 0 466.501 4.390 20 0 JIADRO CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(=O)N1CCc2sccc2C1 ZINC001338377555 1066550979 /nfs/dbraw/zinc/55/09/79/1066550979.db2.gz FEOJCEXIBXSECK-QHCPKHFHSA-N 1 0 468.667 4.027 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)CC1 ZINC001338461362 1066557430 /nfs/dbraw/zinc/55/74/30/1066557430.db2.gz SSDKBQORTCRMSG-QZTJIDSGSA-N 1 0 480.497 4.143 20 0 JIADRO COc1ccc(C[C@@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC001338575904 1066564885 /nfs/dbraw/zinc/56/48/85/1066564885.db2.gz UXAUVAHZHOJJFJ-RUZDIDTESA-N 1 0 488.632 4.239 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)CCCC2)CC1 ZINC001338708707 1066567802 /nfs/dbraw/zinc/56/78/02/1066567802.db2.gz FSNAHTKEYJYLPG-UHFFFAOYSA-N 1 0 473.621 4.451 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCc3nccc(C(F)(F)F)n3)CC2)c1 ZINC001492534755 1066582910 /nfs/dbraw/zinc/58/29/10/1066582910.db2.gz MUTZHIJAELTUTI-UHFFFAOYSA-N 1 0 487.574 4.258 20 0 JIADRO O=S1CCN(c2nnc(-c3ccccc3Cl)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001316580173 1066595014 /nfs/dbraw/zinc/59/50/14/1066595014.db2.gz WHDZMFRUCYEFDL-UHFFFAOYSA-N 1 0 464.079 4.214 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585909 1066608553 /nfs/dbraw/zinc/60/85/53/1066608553.db2.gz YIPBJYUFMQRKET-WMZOPIPTSA-N 1 0 485.982 4.456 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492539282 1066625062 /nfs/dbraw/zinc/62/50/62/1066625062.db2.gz ICHOITMZGHDFPN-HSZRJFAPSA-N 1 0 455.647 4.293 20 0 JIADRO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(CN2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001317705367 1066638199 /nfs/dbraw/zinc/63/81/99/1066638199.db2.gz YVCFZLANTRSJDV-PZJWPPBQSA-N 1 0 489.711 4.355 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN([C@@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC001345036514 1066638247 /nfs/dbraw/zinc/63/82/47/1066638247.db2.gz HCSLIZNROCEDET-QFIPXVFZSA-N 1 0 474.605 4.053 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492542034 1066652441 /nfs/dbraw/zinc/65/24/41/1066652441.db2.gz KHPWTDLCHQZSDG-XZQOPNAISA-N 1 0 469.674 4.272 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCOC(C)(C)C)c1 ZINC001492543768 1066668971 /nfs/dbraw/zinc/66/89/71/1066668971.db2.gz XAKHFVBSFNXGGN-JOCHJYFZSA-N 1 0 455.647 4.293 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001317798681 1066695584 /nfs/dbraw/zinc/69/55/84/1066695584.db2.gz OMDOLUCFBWVVEB-QGZVFWFLSA-N 1 0 450.004 4.135 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)C2)ccn1 ZINC001347896232 1066706211 /nfs/dbraw/zinc/70/62/11/1066706211.db2.gz UVFBGAFBTWCBFD-NRFANRHFSA-N 1 0 484.950 4.235 20 0 JIADRO Cc1cc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001317833725 1066718468 /nfs/dbraw/zinc/71/84/68/1066718468.db2.gz NBWLEXIKIPKBIE-DEOSSOPVSA-N 1 0 458.610 4.191 20 0 JIADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001317833825 1066718664 /nfs/dbraw/zinc/71/86/64/1066718664.db2.gz ODATYINDZIUZPH-UHFFFAOYSA-N 1 0 450.583 4.122 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC001317834761 1066720428 /nfs/dbraw/zinc/72/04/28/1066720428.db2.gz BFPKAESQPQOSLG-UHFFFAOYSA-N 1 0 471.623 4.108 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CSc3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001317835379 1066720948 /nfs/dbraw/zinc/72/09/48/1066720948.db2.gz LZXSFXDIKCRXAM-CALCHBBNSA-N 1 0 463.441 4.467 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)CC1 ZINC001317838684 1066723412 /nfs/dbraw/zinc/72/34/12/1066723412.db2.gz RZVXQOOAHQFUHJ-VWLOTQADSA-N 1 0 458.610 4.272 20 0 JIADRO Cc1ccc2[nH]c(C(=O)O[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2c1 ZINC001317858848 1066738168 /nfs/dbraw/zinc/73/81/68/1066738168.db2.gz WBPWVBMWYLBJDC-QGZVFWFLSA-N 1 0 453.970 4.456 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c2cnn(Cc3cccs3)c2n1 ZINC001348368732 1066739470 /nfs/dbraw/zinc/73/94/70/1066739470.db2.gz ASZOSOUNHKWJNR-OAQYLSRUSA-N 1 0 472.618 4.386 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C(=O)NCC(F)(F)F)ccc3C)CC2)cc1 ZINC001317867471 1066743032 /nfs/dbraw/zinc/74/30/32/1066743032.db2.gz QYABBWHMOSJJAU-UHFFFAOYSA-N 1 0 462.516 4.335 20 0 JIADRO C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001348475489 1066747593 /nfs/dbraw/zinc/74/75/93/1066747593.db2.gz FVORWMIOOQDKOS-UTKZUKDTSA-N 1 0 484.021 4.323 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)[NH+]1CCCCC1 ZINC001317886775 1066756111 /nfs/dbraw/zinc/75/61/11/1066756111.db2.gz QMNQVNRXDPQKRI-QHCPKHFHSA-N 1 0 450.583 4.479 20 0 JIADRO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001317888472 1066758323 /nfs/dbraw/zinc/75/83/23/1066758323.db2.gz DRQYGHOSQBRDFQ-FQEVSTJZSA-N 1 0 482.934 4.225 20 0 JIADRO COCC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001348583805 1066759357 /nfs/dbraw/zinc/75/93/57/1066759357.db2.gz XJRDCPSLCRCEEK-IZZNHLLZSA-N 1 0 457.574 4.434 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC001317890267 1066760024 /nfs/dbraw/zinc/76/00/24/1066760024.db2.gz WDKGELCIXAKJKX-UHFFFAOYSA-N 1 0 496.615 4.046 20 0 JIADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC001317923924 1066789508 /nfs/dbraw/zinc/78/95/08/1066789508.db2.gz SOLFTHFIDWSHIR-UHFFFAOYSA-N 1 0 475.637 4.315 20 0 JIADRO Cc1cc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC001317959489 1066812818 /nfs/dbraw/zinc/81/28/18/1066812818.db2.gz WRXSYNIJHWFMIV-UHFFFAOYSA-N 1 0 457.018 4.270 20 0 JIADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001349148879 1066814612 /nfs/dbraw/zinc/81/46/12/1066814612.db2.gz WTCAXDFJMKKWFU-LOSJGSFVSA-N 1 0 469.651 4.250 20 0 JIADRO COc1ccc(Cc2nc3ccccc3n2C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC001317967387 1066819603 /nfs/dbraw/zinc/81/96/03/1066819603.db2.gz QZGOGWVZOPMTMQ-HSZRJFAPSA-N 1 0 457.574 4.064 20 0 JIADRO COc1ccc(N2C(=O)CC[C@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)[C@H]2c2ccccc2OC)cc1 ZINC001317980058 1066829776 /nfs/dbraw/zinc/82/97/76/1066829776.db2.gz BZRSUOMFBABGGM-JYFHCDHNSA-N 1 0 479.621 4.131 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2Cl)CC1 ZINC001317996244 1066840318 /nfs/dbraw/zinc/84/03/18/1066840318.db2.gz KHMUFLFJRXOXPE-UHFFFAOYSA-N 1 0 453.974 4.493 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001317999298 1066841766 /nfs/dbraw/zinc/84/17/66/1066841766.db2.gz SVNCSWNFITVKLR-UHFFFAOYSA-N 1 0 453.612 4.155 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001318000447 1066842912 /nfs/dbraw/zinc/84/29/12/1066842912.db2.gz GTHLZWKFTMQVKM-AZGAKELHSA-N 1 0 479.621 4.131 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001349543661 1066851509 /nfs/dbraw/zinc/85/15/09/1066851509.db2.gz LCYBTPTTWWKBFG-UHFFFAOYSA-N 1 0 453.583 4.395 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)c2)n1 ZINC001318035789 1066863529 /nfs/dbraw/zinc/86/35/29/1066863529.db2.gz DMXKRNYMAOWWCP-UHFFFAOYSA-N 1 0 453.587 4.215 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001318060208 1066877015 /nfs/dbraw/zinc/87/70/15/1066877015.db2.gz DWAJPYIFFLMZNP-UHFFFAOYSA-N 1 0 458.566 4.463 20 0 JIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCCC2)cc1 ZINC001318063285 1066880426 /nfs/dbraw/zinc/88/04/26/1066880426.db2.gz VTFCUOVKEBNELJ-AREMUKBSSA-N 1 0 484.604 4.456 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318064812 1066881183 /nfs/dbraw/zinc/88/11/83/1066881183.db2.gz UWXGCTYSSKEREW-UHFFFAOYSA-N 1 0 488.632 4.280 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001318083669 1066891519 /nfs/dbraw/zinc/89/15/19/1066891519.db2.gz GSRRYEYYLBPQMA-GOSISDBHSA-N 1 0 458.400 4.092 20 0 JIADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C2=O ZINC001349930489 1066897876 /nfs/dbraw/zinc/89/78/76/1066897876.db2.gz IMNYDMRUDGQABP-XTIHSXFESA-N 1 0 454.615 4.136 20 0 JIADRO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC001318103084 1066901009 /nfs/dbraw/zinc/90/10/09/1066901009.db2.gz QKOVRMORAMUUFL-LSYYVWMOSA-N 1 0 480.612 4.359 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)c2cccs2)CC1 ZINC001350073330 1066912458 /nfs/dbraw/zinc/91/24/58/1066912458.db2.gz SYWQLLRNPBQNFS-SFHVURJKSA-N 1 0 456.580 4.089 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001318133929 1066916407 /nfs/dbraw/zinc/91/64/07/1066916407.db2.gz YKZHOEVCGIINNO-QGZVFWFLSA-N 1 0 458.400 4.472 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCc2nccs2)c1 ZINC001492547230 1066917350 /nfs/dbraw/zinc/91/73/50/1066917350.db2.gz RVARPVYHSRNAGG-UHFFFAOYSA-N 1 0 454.644 4.175 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2nc(Br)c3ccccn32)[NH+]2CCCCC2)cc1 ZINC001350102915 1066918106 /nfs/dbraw/zinc/91/81/06/1066918106.db2.gz OMZSTFDUIWXOJW-LJQANCHMSA-N 1 0 457.372 4.062 20 0 JIADRO CC[C@H](NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)c1ccccc1OC(F)F ZINC001350131899 1066921604 /nfs/dbraw/zinc/92/16/04/1066921604.db2.gz JOVFUIDZAZDRFN-IBGZPJMESA-N 1 0 455.509 4.046 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)cc2)C[C@@H](C)O1 ZINC001318142461 1066921685 /nfs/dbraw/zinc/92/16/85/1066921685.db2.gz XMHVWGNHKATUSJ-NHCUHLMSSA-N 1 0 484.604 4.029 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)ccc1OC ZINC001318178057 1066941495 /nfs/dbraw/zinc/94/14/95/1066941495.db2.gz ICXZFCDCDXXULD-VWLOTQADSA-N 1 0 480.609 4.396 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC001350367203 1066948803 /nfs/dbraw/zinc/94/88/03/1066948803.db2.gz BUNDAWVBOSDOOV-UHFFFAOYSA-N 1 0 455.002 4.317 20 0 JIADRO O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCCc1coc(-c2ccccc2)n1 ZINC001318232941 1066975226 /nfs/dbraw/zinc/97/52/26/1066975226.db2.gz OROKDHGGADNOSF-UHFFFAOYSA-N 1 0 468.001 4.049 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC001350598270 1066977186 /nfs/dbraw/zinc/97/71/86/1066977186.db2.gz OKUBUZOHXHLPPC-BJMVGYQFSA-N 1 0 451.548 4.174 20 0 JIADRO Cc1n[nH]cc1CCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492548080 1066979124 /nfs/dbraw/zinc/97/91/24/1066979124.db2.gz REJSQSLILJSQNT-UHFFFAOYSA-N 1 0 479.673 4.388 20 0 JIADRO C[NH+]1CCC(N(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)c2ccccc2)CC1 ZINC001350677140 1066987711 /nfs/dbraw/zinc/98/77/11/1066987711.db2.gz DRWZCCPMDTYEDJ-UHFFFAOYSA-N 1 0 453.384 4.435 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318280140 1067000058 /nfs/dbraw/zinc/00/00/58/1067000058.db2.gz CZKWCSYTQLJWAG-OAQYLSRUSA-N 1 0 489.616 4.088 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 ZINC001318316703 1067013902 /nfs/dbraw/zinc/01/39/02/1067013902.db2.gz OLZCJQKFCHATSQ-UHFFFAOYSA-N 1 0 471.630 4.308 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Nc3ccc(SC(F)(F)F)cc3)c2)C1 ZINC001318322082 1067016379 /nfs/dbraw/zinc/01/63/79/1067016379.db2.gz DJWCIOAWJJFSNP-QGZVFWFLSA-N 1 0 466.529 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ncccc1C ZINC001300683632 1067020735 /nfs/dbraw/zinc/02/07/35/1067020735.db2.gz LOERNJFEABYTQN-UHFFFAOYSA-N 1 0 466.655 4.109 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300684314 1067023217 /nfs/dbraw/zinc/02/32/17/1067023217.db2.gz SHVOXSLGSULCSR-OALUTQOASA-N 1 0 485.654 4.479 20 0 JIADRO CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001351008974 1067031552 /nfs/dbraw/zinc/03/15/52/1067031552.db2.gz VYZCSRAFHARLSB-RXVVDRJESA-N 1 0 457.665 4.412 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCC[C@H](C(F)(F)F)O3)c(C(F)(F)F)c2)CC1 ZINC001354671944 1067035172 /nfs/dbraw/zinc/03/51/72/1067035172.db2.gz DDVHZWFPCDKDKD-RHSMWYFYSA-N 1 0 453.427 4.286 20 0 JIADRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001318404003 1067038161 /nfs/dbraw/zinc/03/81/61/1067038161.db2.gz QHBFHDQAOSTEPM-WOJBJXKFSA-N 1 0 450.004 4.052 20 0 JIADRO CN(C(=O)OC(C)(C)C)C1(C)CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001318402355 1067038231 /nfs/dbraw/zinc/03/82/31/1067038231.db2.gz CTGJZZSHSFEPLJ-UHFFFAOYSA-N 1 0 460.688 4.247 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)CC2)cc1 ZINC001318509904 1067050165 /nfs/dbraw/zinc/05/01/65/1067050165.db2.gz SKOZDYDANDIDLC-UHFFFAOYSA-N 1 0 485.632 4.227 20 0 JIADRO COc1ccncc1Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001300696696 1067054474 /nfs/dbraw/zinc/05/44/74/1067054474.db2.gz GQTCDCRPBJFPMT-SFHVURJKSA-N 1 0 470.618 4.081 20 0 JIADRO CCOc1ccc(-n2c(=S)n(CN3CC[NH+](C(C)(C)C)CC3)nc2-c2ccncc2)cc1 ZINC001319161310 1067068780 /nfs/dbraw/zinc/06/87/80/1067068780.db2.gz NHARPGVDIYJAQE-UHFFFAOYSA-N 1 0 452.628 4.238 20 0 JIADRO COc1cccc(N2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)CC2)c1 ZINC001320481264 1067090661 /nfs/dbraw/zinc/09/06/61/1067090661.db2.gz WILUMLIZODIYCK-UHFFFAOYSA-N 1 0 489.458 4.200 20 0 JIADRO CC(C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)[NH+]1CCN(C)CC1 ZINC001200780513 1067092587 /nfs/dbraw/zinc/09/25/87/1067092587.db2.gz DVDVHSAWSJWEHF-MRXNPFEDSA-N 1 0 452.974 4.388 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC001351425406 1067093366 /nfs/dbraw/zinc/09/33/66/1067093366.db2.gz OWOCHOBXLNGUQQ-LJQANCHMSA-N 1 0 454.924 4.486 20 0 JIADRO O=C(NCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001321214411 1067102177 /nfs/dbraw/zinc/10/21/77/1067102177.db2.gz AHJNOGKLTYUJQB-OAQYLSRUSA-N 1 0 487.444 4.006 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001351527767 1067118894 /nfs/dbraw/zinc/11/88/94/1067118894.db2.gz DUKQMWQPRRWVNB-MAUKXSAKSA-N 1 0 455.352 4.429 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC001321428075 1067125946 /nfs/dbraw/zinc/12/59/46/1067125946.db2.gz ULCWPWOAIBZREN-UHFFFAOYSA-N 1 0 458.566 4.212 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001321427701 1067126221 /nfs/dbraw/zinc/12/62/21/1067126221.db2.gz ZNQNQOFSFGLANS-DEOSSOPVSA-N 1 0 450.583 4.387 20 0 JIADRO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)ccc1OC ZINC001354806560 1067126703 /nfs/dbraw/zinc/12/67/03/1067126703.db2.gz HTRDOEONXLLUJC-IZZNHLLZSA-N 1 0 472.585 4.322 20 0 JIADRO CO[C@@H](C[N@@H+]1CCC[C@@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001474758258 1067141397 /nfs/dbraw/zinc/14/13/97/1067141397.db2.gz DJBGIYOJUALVSO-CTNGQTDRSA-N 1 0 454.652 4.482 20 0 JIADRO COc1cccc(Br)c1[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC(C)C ZINC001200795914 1067151809 /nfs/dbraw/zinc/15/18/09/1067151809.db2.gz XJCGHDVDVJJVJH-MJGOQNOKSA-N 1 0 462.457 4.298 20 0 JIADRO COc1cc([C@H](C)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1OCC(C)C ZINC001321562958 1067166371 /nfs/dbraw/zinc/16/63/71/1067166371.db2.gz IVGGPKDKQMRUGS-FQEVSTJZSA-N 1 0 454.615 4.042 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC001321620726 1067178057 /nfs/dbraw/zinc/17/80/57/1067178057.db2.gz HHRUXYIKRBXOLJ-UHFFFAOYSA-N 1 0 468.406 4.282 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC001321671855 1067197685 /nfs/dbraw/zinc/19/76/85/1067197685.db2.gz WCPOUAYGUNDLPF-UHFFFAOYSA-N 1 0 482.806 4.192 20 0 JIADRO CC[NH+](CC)C[C@@H]1CN(C(=S)Nc2c(F)cc(Br)cc2Br)CCO1 ZINC001200801428 1067201818 /nfs/dbraw/zinc/20/18/18/1067201818.db2.gz JPXCWXQGSPCJNZ-GFCCVEGCSA-N 1 0 483.245 4.090 20 0 JIADRO CCc1nc(COc2ccc(C(=O)Nc3cc(C[NH+]4CCSCC4)ccc3C)cc2)no1 ZINC001351779322 1067202570 /nfs/dbraw/zinc/20/25/70/1067202570.db2.gz FPMRKDIMDDQGTO-UHFFFAOYSA-N 1 0 452.580 4.321 20 0 JIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)CC1 ZINC001321762085 1067206457 /nfs/dbraw/zinc/20/64/57/1067206457.db2.gz HISUCSNFTUMDQF-UHFFFAOYSA-N 1 0 458.562 4.201 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492549291 1067212118 /nfs/dbraw/zinc/21/21/18/1067212118.db2.gz WQBMCPAWTBFEBP-FGZHOGPDSA-N 1 0 455.647 4.290 20 0 JIADRO COc1cc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001321828286 1067215095 /nfs/dbraw/zinc/21/50/95/1067215095.db2.gz VXQQIFWCZBYFLZ-QZTJIDSGSA-N 1 0 460.619 4.055 20 0 JIADRO Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1N1CC[NH+](C)CC1 ZINC001321929156 1067228116 /nfs/dbraw/zinc/22/81/16/1067228116.db2.gz MHGLDMDJRHSBAF-GASCZTMLSA-N 1 0 452.443 4.341 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c(F)cccc1I ZINC001351895789 1067235903 /nfs/dbraw/zinc/23/59/03/1067235903.db2.gz VYLHNKWBWJMYHU-UHFFFAOYSA-N 1 0 456.299 4.403 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)NC1CC[NH+](C2CC2)CC1 ZINC001200807894 1067239744 /nfs/dbraw/zinc/23/97/44/1067239744.db2.gz CFQWWBPOPGOPEL-UHFFFAOYSA-N 1 0 451.203 4.264 20 0 JIADRO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492549607 1067246430 /nfs/dbraw/zinc/24/64/30/1067246430.db2.gz HQVDTIKMRPYXDW-WOJBJXKFSA-N 1 0 451.619 4.399 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492549817 1067250193 /nfs/dbraw/zinc/25/01/93/1067250193.db2.gz OSVLGPRZQIDCCI-BHIFYINESA-N 1 0 457.688 4.475 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(C)c4)C3)ccc21 ZINC001351987095 1067263306 /nfs/dbraw/zinc/26/33/06/1067263306.db2.gz PBMGHDZWMFQJQP-HXUWFJFHSA-N 1 0 450.558 4.422 20 0 JIADRO COc1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC001354901088 1067268053 /nfs/dbraw/zinc/26/80/53/1067268053.db2.gz LERUJOAHMASIMK-MHZLTWQESA-N 1 0 452.595 4.160 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001322331550 1067276046 /nfs/dbraw/zinc/27/60/46/1067276046.db2.gz CBXOVWNJURMBHO-UHFFFAOYSA-N 1 0 466.994 4.280 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)n(C)c1C)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001322334489 1067277530 /nfs/dbraw/zinc/27/75/30/1067277530.db2.gz SEPZQDKKBYTMEA-UHFFFAOYSA-O 1 0 485.655 4.372 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001300754833 1067281553 /nfs/dbraw/zinc/28/15/53/1067281553.db2.gz NVDATDNEMQJDQL-TXTKFYIRSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300758448 1067291992 /nfs/dbraw/zinc/29/19/92/1067291992.db2.gz SOQFURKXWKTNNA-PKOBYXMFSA-N 1 0 479.467 4.306 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300759133 1067294295 /nfs/dbraw/zinc/29/42/95/1067294295.db2.gz GJPCXYZGIOIGTD-GOSISDBHSA-N 1 0 476.463 4.445 20 0 JIADRO COc1cccc(N2CCC(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001322590507 1067304477 /nfs/dbraw/zinc/30/44/77/1067304477.db2.gz JNYZAMSVWXYAHA-NRFANRHFSA-N 1 0 451.611 4.347 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCC(C)CC2)C1 ZINC001300764865 1067306015 /nfs/dbraw/zinc/30/60/15/1067306015.db2.gz XELLHUKZSBFXQZ-GOSISDBHSA-N 1 0 480.426 4.194 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)no1 ZINC000500697074 1067308012 /nfs/dbraw/zinc/30/80/12/1067308012.db2.gz HUMGDEOGWWWCTG-OALUTQOASA-N 1 0 467.614 4.021 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492579162 1067312854 /nfs/dbraw/zinc/31/28/54/1067312854.db2.gz FECNMIVYUJOWCA-TZIWHRDSSA-N 1 0 479.591 4.455 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2)n1 ZINC001322986420 1067312828 /nfs/dbraw/zinc/31/28/28/1067312828.db2.gz PFUCDAKACBRPHH-HXUWFJFHSA-N 1 0 453.568 4.069 20 0 JIADRO CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001352227865 1067313351 /nfs/dbraw/zinc/31/33/51/1067313351.db2.gz QROJUDPZTIZSPO-XMMPIXPASA-N 1 0 451.611 4.346 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492579514 1067315299 /nfs/dbraw/zinc/31/52/99/1067315299.db2.gz LNHHSCRSQKKXQE-FPOVZHCZSA-N 1 0 479.591 4.455 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492552620 1067318590 /nfs/dbraw/zinc/31/85/90/1067318590.db2.gz BSKYOHWTGKXVNE-IBGGVINMSA-N 1 0 499.700 4.181 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cccc(N5CCNC5=O)c4)cc3)CC2)c1 ZINC001323368169 1067319145 /nfs/dbraw/zinc/31/91/45/1067319145.db2.gz VCJLQLWTBTUQBB-UHFFFAOYSA-N 1 0 469.589 4.099 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492580074 1067319883 /nfs/dbraw/zinc/31/98/83/1067319883.db2.gz VYUYPDOKILJATQ-GMAHTHKFSA-N 1 0 496.700 4.401 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001300771705 1067319898 /nfs/dbraw/zinc/31/98/98/1067319898.db2.gz DMUVOODXIXHLIA-QFIPXVFZSA-N 1 0 485.673 4.015 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492580075 1067320125 /nfs/dbraw/zinc/32/01/25/1067320125.db2.gz VYUYPDOKILJATQ-JTHBVZDNSA-N 1 0 496.700 4.401 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300772055 1067321610 /nfs/dbraw/zinc/32/16/10/1067321610.db2.gz IPYTWLNCZMQEIO-UTKZUKDTSA-N 1 0 461.582 4.127 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492495028 1067322392 /nfs/dbraw/zinc/32/23/92/1067322392.db2.gz NROCNNGYTITCOX-FQEVSTJZSA-N 1 0 497.638 4.398 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352288044 1067325188 /nfs/dbraw/zinc/32/51/88/1067325188.db2.gz KGRDMYSUXAHFQI-VXKWHMMOSA-N 1 0 455.624 4.296 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300000445 1067336268 /nfs/dbraw/zinc/33/62/68/1067336268.db2.gz DBUCNSBFYWZRKY-XHCCPWGMSA-N 1 0 479.673 4.451 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492552828 1067339298 /nfs/dbraw/zinc/33/92/98/1067339298.db2.gz FGDWBJDBOFJROJ-CWBXHPNXSA-N 1 0 455.647 4.177 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300001354 1067339748 /nfs/dbraw/zinc/33/97/48/1067339748.db2.gz AQOWYJSNCBHDCU-SFHVURJKSA-N 1 0 453.587 4.232 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492497886 1067339589 /nfs/dbraw/zinc/33/95/89/1067339589.db2.gz LLXLVTUJXBNYKU-SQJMNOBHSA-N 1 0 462.642 4.245 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001300783268 1067340935 /nfs/dbraw/zinc/34/09/35/1067340935.db2.gz AIRMXCIWIPMKRM-SSGKUCQKSA-N 1 0 455.647 4.115 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001300784755 1067344455 /nfs/dbraw/zinc/34/44/55/1067344455.db2.gz DXPMADOGNQCOQT-OAQYLSRUSA-N 1 0 454.663 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cccc(C)c2)CC1 ZINC001300785184 1067345691 /nfs/dbraw/zinc/34/56/91/1067345691.db2.gz CTJQSAYFPLWROW-UHFFFAOYSA-N 1 0 465.646 4.105 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)nnc2C(C)(C)C)CC1 ZINC001300785552 1067346805 /nfs/dbraw/zinc/34/68/05/1067346805.db2.gz GKRZJZIVXYOSQE-RXVVDRJESA-N 1 0 475.703 4.493 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001300003252 1067346934 /nfs/dbraw/zinc/34/69/34/1067346934.db2.gz RPEOZEROFVEYCR-INIZCTEOSA-N 1 0 474.403 4.430 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001300785711 1067347664 /nfs/dbraw/zinc/34/76/64/1067347664.db2.gz QULGHRUMDPTSBT-RBUKOAKNSA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001300785813 1067347707 /nfs/dbraw/zinc/34/77/07/1067347707.db2.gz ODAMPDYCYSHJLX-HKUYNNGSSA-N 1 0 473.584 4.188 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001300786103 1067348101 /nfs/dbraw/zinc/34/81/01/1067348101.db2.gz KEILBRWVAZIHBL-FQEVSTJZSA-N 1 0 491.627 4.271 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300003678 1067348224 /nfs/dbraw/zinc/34/82/24/1067348224.db2.gz QLHWAZGVHLBVAV-SFHVURJKSA-N 1 0 484.670 4.484 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2F)cc1 ZINC001352356055 1067349848 /nfs/dbraw/zinc/34/98/48/1067349848.db2.gz UJUICRTYKQAIET-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001300787404 1067351167 /nfs/dbraw/zinc/35/11/67/1067351167.db2.gz VJIGXRBPHHJSDT-NDEPHWFRSA-N 1 0 483.701 4.462 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC(C)(OC)C2)CC1 ZINC001300787389 1067351241 /nfs/dbraw/zinc/35/12/41/1067351241.db2.gz UDZDLWYBHYVHJY-UHFFFAOYSA-N 1 0 494.105 4.338 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(OCC3CC3)CC2)CC1 ZINC001300787548 1067351492 /nfs/dbraw/zinc/35/14/92/1067351492.db2.gz XIDLLWVKLBYNFF-UHFFFAOYSA-N 1 0 461.695 4.152 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001300787618 1067352065 /nfs/dbraw/zinc/35/20/65/1067352065.db2.gz VKIBGPNHJKXUQQ-OFNKIYASSA-N 1 0 473.637 4.158 20 0 JIADRO C[C@@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001355036000 1067352391 /nfs/dbraw/zinc/35/23/91/1067352391.db2.gz AIXQZUAZNYFLIN-YLJYHZDGSA-N 1 0 453.384 4.418 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300005737 1067353297 /nfs/dbraw/zinc/35/32/97/1067353297.db2.gz ILVUKUFCVPYAJV-OAQYLSRUSA-N 1 0 470.643 4.176 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300008398 1067359285 /nfs/dbraw/zinc/35/92/85/1067359285.db2.gz FYAHHRQPCRFYRG-LEWJYISDSA-N 1 0 453.631 4.487 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC[C@H]1C ZINC001300792300 1067362775 /nfs/dbraw/zinc/36/27/75/1067362775.db2.gz VOSNBLULZKTUEC-ZILOHOTNSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC[C@@H]1C ZINC001300792299 1067362805 /nfs/dbraw/zinc/36/28/05/1067362805.db2.gz VOSNBLULZKTUEC-ZCVJKFOLSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793699 1067365865 /nfs/dbraw/zinc/36/58/65/1067365865.db2.gz ALNYVCXRXIDEFU-XMSQKQJNSA-N 1 0 494.503 4.006 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001300012498 1067367345 /nfs/dbraw/zinc/36/73/45/1067367345.db2.gz ZKFHTLMTNPUNDF-WOJBJXKFSA-N 1 0 473.662 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001300016500 1067376035 /nfs/dbraw/zinc/37/60/35/1067376035.db2.gz BWLLOQSCMVAHFQ-UHFFFAOYSA-N 1 0 475.659 4.100 20 0 JIADRO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001300016762 1067376572 /nfs/dbraw/zinc/37/65/72/1067376572.db2.gz FARRMMYOBAULFR-OFVILXPXSA-N 1 0 496.700 4.301 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001300017476 1067379529 /nfs/dbraw/zinc/37/95/29/1067379529.db2.gz PQPXPZBIGPEMPF-HZPDHXFCSA-N 1 0 466.424 4.082 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492582030 1067389109 /nfs/dbraw/zinc/38/91/09/1067389109.db2.gz VWYUEERDKPYGMA-QHCPKHFHSA-N 1 0 480.701 4.137 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300024296 1067393664 /nfs/dbraw/zinc/39/36/64/1067393664.db2.gz ODHOSSICKKJVRM-WOJBJXKFSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300024293 1067393908 /nfs/dbraw/zinc/39/39/08/1067393908.db2.gz ODHOSSICKKJVRM-PMACEKPBSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300024871 1067394867 /nfs/dbraw/zinc/39/48/67/1067394867.db2.gz PGMVTPMIKAWUMZ-DENIHFKCSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001300026476 1067397934 /nfs/dbraw/zinc/39/79/34/1067397934.db2.gz AXQKHAANVBDFHT-WOJBJXKFSA-N 1 0 469.630 4.007 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300032198 1067426978 /nfs/dbraw/zinc/42/69/78/1067426978.db2.gz DOAFIPUFIVAHJK-MZLICYQSSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300032480 1067428083 /nfs/dbraw/zinc/42/80/83/1067428083.db2.gz GKRUDGDUAHUKGE-HFMPRLQTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300033230 1067431291 /nfs/dbraw/zinc/43/12/91/1067431291.db2.gz IWSJIWBRRKKLMY-MOPGFXCFSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001300033481 1067431693 /nfs/dbraw/zinc/43/16/93/1067431693.db2.gz OBWAWRBVQQFWOP-HXUWFJFHSA-N 1 0 460.420 4.173 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300034816 1067439088 /nfs/dbraw/zinc/43/90/88/1067439088.db2.gz VFQBXKQSLRWORP-GMAHTHKFSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC001300037212 1067447571 /nfs/dbraw/zinc/44/75/71/1067447571.db2.gz YNPLLJZIDJALJU-RTBURBONSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCC(C)(F)F)cc1OC ZINC001300040006 1067457648 /nfs/dbraw/zinc/45/76/48/1067457648.db2.gz AEVIJUKAHOCGJN-SFHVURJKSA-N 1 0 463.573 4.320 20 0 JIADRO COCCOC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001355418526 1067458467 /nfs/dbraw/zinc/45/84/67/1067458467.db2.gz NYBIYRPDKSQKHJ-LOSJGSFVSA-N 1 0 474.561 4.131 20 0 JIADRO CN(c1ccc(NC(=O)c2ccccc2CNC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001355425485 1067461016 /nfs/dbraw/zinc/46/10/16/1067461016.db2.gz DXEYKFFLQZQPEE-UHFFFAOYSA-N 1 0 452.599 4.494 20 0 JIADRO Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001492555845 1067467546 /nfs/dbraw/zinc/46/75/46/1067467546.db2.gz VZAAYVIGBHUIKD-UHFFFAOYSA-N 1 0 466.674 4.013 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCCC[NH+]2CCCCC2)cc1OC ZINC001300042048 1067478163 /nfs/dbraw/zinc/47/81/63/1067478163.db2.gz SRYFXQBOCNSFLW-UHFFFAOYSA-N 1 0 463.573 4.464 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001300045771 1067495793 /nfs/dbraw/zinc/49/57/93/1067495793.db2.gz QDARRTQKQLCYJR-JOCHJYFZSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001300045772 1067495946 /nfs/dbraw/zinc/49/59/46/1067495946.db2.gz QDARRTQKQLCYJR-QFIPXVFZSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300048551 1067503262 /nfs/dbraw/zinc/50/32/62/1067503262.db2.gz BJZGBGSLDIGZEN-GGAORHGYSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300050984 1067512426 /nfs/dbraw/zinc/51/24/26/1067512426.db2.gz BKTLXKADEWAVAM-QHCPKHFHSA-N 1 0 494.478 4.452 20 0 JIADRO CC(C)(Cc1ccc(Br)cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355566386 1067512594 /nfs/dbraw/zinc/51/25/94/1067512594.db2.gz HZSKRSLNUDXPKY-UHFFFAOYSA-N 1 0 451.449 4.417 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300050983 1067512612 /nfs/dbraw/zinc/51/26/12/1067512612.db2.gz BKTLXKADEWAVAM-HSZRJFAPSA-N 1 0 494.478 4.452 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001492582669 1067530277 /nfs/dbraw/zinc/53/02/77/1067530277.db2.gz OULLZCBNVRKMQT-UHFFFAOYSA-N 1 0 470.662 4.011 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300057039 1067543190 /nfs/dbraw/zinc/54/31/90/1067543190.db2.gz RBLRMTVTQUGGBX-HXUWFJFHSA-N 1 0 486.661 4.035 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300057096 1067544411 /nfs/dbraw/zinc/54/44/11/1067544411.db2.gz SJTXVXIYODZZSY-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2n(n1)CCCC2=O)[NH+](C)C ZINC001355669142 1067548020 /nfs/dbraw/zinc/54/80/20/1067548020.db2.gz AFULYZKPVYXUGC-FQEVSTJZSA-N 1 0 451.398 4.395 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300059145 1067553968 /nfs/dbraw/zinc/55/39/68/1067553968.db2.gz JAHRIYKXMLMYNW-BDTNDASRSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300059395 1067555751 /nfs/dbraw/zinc/55/57/51/1067555751.db2.gz MROBEJQXHXMRIB-LJQANCHMSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300060338 1067557858 /nfs/dbraw/zinc/55/78/58/1067557858.db2.gz WLCTYJIVYXULLZ-PXNSSMCTSA-N 1 0 459.660 4.167 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492584261 1067559101 /nfs/dbraw/zinc/55/91/01/1067559101.db2.gz HBBQZDGYLAWMMI-UPVQGACJSA-N 1 0 496.700 4.497 20 0 JIADRO COc1ccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300063394 1067572526 /nfs/dbraw/zinc/57/25/26/1067572526.db2.gz QUQJTALIRGHBPN-UHFFFAOYSA-N 1 0 495.647 4.323 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)c2cc(C)oc2C)cc1OC ZINC001300068023 1067585055 /nfs/dbraw/zinc/58/50/55/1067585055.db2.gz XGQKTBVKXCOYAK-HHHXNRCGSA-N 1 0 497.640 4.000 20 0 JIADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(Br)c2SC(C)(C)C)CC1 ZINC001200089089 1067585815 /nfs/dbraw/zinc/58/58/15/1067585815.db2.gz RCUYNIXVFZVGRU-UHFFFAOYSA-N 1 0 456.494 4.372 20 0 JIADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001355868405 1067594927 /nfs/dbraw/zinc/59/49/27/1067594927.db2.gz PVVQWBNYRAXZIB-YVWKXTFCSA-N 1 0 454.396 4.193 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC(C)C)cc1Br ZINC001300075803 1067602525 /nfs/dbraw/zinc/60/25/25/1067602525.db2.gz OZYHXZMTYPJQMB-IBGZPJMESA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300076544 1067604204 /nfs/dbraw/zinc/60/42/04/1067604204.db2.gz UKLPZYGIYKYQKW-KNQAVFIVSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300078187 1067611875 /nfs/dbraw/zinc/61/18/75/1067611875.db2.gz GOZOWQCPASTRBI-GHTZIAJQSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300082755 1067621117 /nfs/dbraw/zinc/62/11/17/1067621117.db2.gz FRJJWSJZMVPCDT-PKTZIBPZSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC[NH+]2CCCCC2)c(OC)c1 ZINC001300085470 1067627820 /nfs/dbraw/zinc/62/78/20/1067627820.db2.gz WOPVYLTUARQNSR-QFIPXVFZSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300089410 1067641884 /nfs/dbraw/zinc/64/18/84/1067641884.db2.gz QIHWJVQMIDABTK-ZVDOUQERSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300094114 1067655346 /nfs/dbraw/zinc/65/53/46/1067655346.db2.gz FNGCYPFPQHIHLR-PKTZIBPZSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300094164 1067656081 /nfs/dbraw/zinc/65/60/81/1067656081.db2.gz GLQIMEBTZMYIPY-RBBKRZOGSA-N 1 0 498.672 4.040 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+](C)C(C)C)cc1 ZINC001300098621 1067667047 /nfs/dbraw/zinc/66/70/47/1067667047.db2.gz MQKSWBCRMYBIQP-XMMPIXPASA-N 1 0 465.646 4.220 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300099060 1067669005 /nfs/dbraw/zinc/66/90/05/1067669005.db2.gz AYGOTJCYMAWBOU-FCHUYYIVSA-N 1 0 464.658 4.339 20 0 JIADRO COc1ccc(C2CCN(c3nnc(CC(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)cc1 ZINC001300099417 1067670854 /nfs/dbraw/zinc/67/08/54/1067670854.db2.gz GLFHTFZUNXEDMX-UHFFFAOYSA-N 1 0 482.717 4.143 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001300102647 1067679917 /nfs/dbraw/zinc/67/99/17/1067679917.db2.gz IFCJSKKFSPBASO-NRFANRHFSA-N 1 0 477.657 4.181 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001300103794 1067684974 /nfs/dbraw/zinc/68/49/74/1067684974.db2.gz DQEKNFJMPKSDOD-NRFANRHFSA-N 1 0 460.626 4.234 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)cc1OC ZINC001300108110 1067703230 /nfs/dbraw/zinc/70/32/30/1067703230.db2.gz LZEYDLGFLUDJHM-FQEVSTJZSA-N 1 0 455.647 4.047 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300113395 1067718613 /nfs/dbraw/zinc/71/86/13/1067718613.db2.gz GSXRTHKDVKRPRT-WRALFONMSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300115077 1067723389 /nfs/dbraw/zinc/72/33/89/1067723389.db2.gz YRPDXWUEAGEJOT-LRSLUSHPSA-N 1 0 469.674 4.052 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001356325914 1067724399 /nfs/dbraw/zinc/72/43/99/1067724399.db2.gz ANXVRIKRXWUOCC-VWLOTQADSA-N 1 0 457.618 4.325 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300115459 1067724639 /nfs/dbraw/zinc/72/46/39/1067724639.db2.gz WRPALHLZOIHNPT-UHFFFAOYSA-N 1 0 469.674 4.342 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300115414 1067724701 /nfs/dbraw/zinc/72/47/01/1067724701.db2.gz YWCMLMJHYGMNSK-ISKFKSNPSA-N 1 0 483.701 4.445 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC001356352846 1067732990 /nfs/dbraw/zinc/73/29/90/1067732990.db2.gz PULVBVNDXOMOTF-RBUKOAKNSA-N 1 0 459.009 4.325 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001356352407 1067733115 /nfs/dbraw/zinc/73/31/15/1067733115.db2.gz MRFHSINABIKUTL-HSZRJFAPSA-N 1 0 453.608 4.284 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC001356352509 1067733245 /nfs/dbraw/zinc/73/32/45/1067733245.db2.gz NQVUPLJCKXXBRA-CQSZACIVSA-N 1 0 452.343 4.360 20 0 JIADRO C[C@@H]1CN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356353691 1067733572 /nfs/dbraw/zinc/73/35/72/1067733572.db2.gz BNTVYZDFAYAGGG-MSYCTHLASA-N 1 0 453.583 4.235 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001300119910 1067734888 /nfs/dbraw/zinc/73/48/88/1067734888.db2.gz ZWOBDPGDPVRMMW-VWLOTQADSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119940 1067734997 /nfs/dbraw/zinc/73/49/97/1067734997.db2.gz BUXMLOZEYHZWKT-LADGPHEKSA-N 1 0 483.701 4.324 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001356357243 1067735046 /nfs/dbraw/zinc/73/50/46/1067735046.db2.gz VGQIFFSUNJXXBG-QZTJIDSGSA-N 1 0 453.384 4.370 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300125004 1067749165 /nfs/dbraw/zinc/74/91/65/1067749165.db2.gz BMAAAOKPODLVIZ-RDGATRHJSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300126380 1067753268 /nfs/dbraw/zinc/75/32/68/1067753268.db2.gz FGOHBDIWOYCACY-LJQANCHMSA-N 1 0 461.601 4.428 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300128161 1067760417 /nfs/dbraw/zinc/76/04/17/1067760417.db2.gz ILCREHUSVVMTCF-LEWJYISDSA-N 1 0 457.688 4.278 20 0 JIADRO Cc1ccc(NC(=S)N2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(Br)c1 ZINC001200149039 1067763507 /nfs/dbraw/zinc/76/35/07/1067763507.db2.gz PSFIAFVORMJSDN-UHFFFAOYSA-N 1 0 462.461 4.318 20 0 JIADRO Cc1ccc(Oc2cc(Br)ccc2C[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1 ZINC001200152114 1067770291 /nfs/dbraw/zinc/77/02/91/1067770291.db2.gz OQCVANBCEXYIOM-UHFFFAOYSA-N 1 0 455.418 4.357 20 0 JIADRO Cc1cc(F)cc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC001352868261 1067775130 /nfs/dbraw/zinc/77/51/30/1067775130.db2.gz GXLQVNYIRDKYOC-UHFFFAOYSA-N 1 0 456.512 4.291 20 0 JIADRO Cc1c(I)cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001352869571 1067776253 /nfs/dbraw/zinc/77/62/53/1067776253.db2.gz XXJNNLYAOLLPRT-UHFFFAOYSA-N 1 0 458.290 4.082 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001352869517 1067776301 /nfs/dbraw/zinc/77/63/01/1067776301.db2.gz VVGPCPVMMWLFOX-HXUWFJFHSA-N 1 0 458.400 4.246 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000849058900 1067788798 /nfs/dbraw/zinc/78/87/98/1067788798.db2.gz ZWUCNIFCXBUGJT-SFHVURJKSA-N 1 0 474.627 4.041 20 0 JIADRO COc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC001300143362 1067796799 /nfs/dbraw/zinc/79/67/99/1067796799.db2.gz DNQDVSSLJNRGFU-UHFFFAOYSA-N 1 0 454.594 4.220 20 0 JIADRO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000849072705 1067796730 /nfs/dbraw/zinc/79/67/30/1067796730.db2.gz ZDEIAUTWQCDLNL-UHFFFAOYSA-N 1 0 460.372 4.295 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1OC ZINC001357116432 1067806280 /nfs/dbraw/zinc/80/62/80/1067806280.db2.gz INSIPRAXMIJQCP-UHFFFAOYSA-N 1 0 459.537 4.105 20 0 JIADRO COc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)c(Cl)c1OC ZINC001300157066 1067813541 /nfs/dbraw/zinc/81/35/41/1067813541.db2.gz FKXISUGMTGIBEC-HXUWFJFHSA-N 1 0 478.037 4.010 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300161752 1067816549 /nfs/dbraw/zinc/81/65/49/1067816549.db2.gz BGCGTHJKERQRMM-FQEVSTJZSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001300161844 1067816893 /nfs/dbraw/zinc/81/68/93/1067816893.db2.gz DFVFQEQJBPCCFY-SFTDATJTSA-N 1 0 478.641 4.181 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001300163451 1067820127 /nfs/dbraw/zinc/82/01/27/1067820127.db2.gz AFPJRLFAQKZSOJ-SFHVURJKSA-N 1 0 453.587 4.232 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492584909 1067823318 /nfs/dbraw/zinc/82/33/18/1067823318.db2.gz VBIPWLQURGIEOX-SANMLTNESA-N 1 0 494.728 4.430 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300166929 1067825193 /nfs/dbraw/zinc/82/51/93/1067825193.db2.gz VVGGUTLOFVHERK-UHFFFAOYSA-N 1 0 478.641 4.183 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001492585272 1067826972 /nfs/dbraw/zinc/82/69/72/1067826972.db2.gz CZIZEHCAIXPDPR-UHFFFAOYSA-N 1 0 480.701 4.138 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300170367 1067828935 /nfs/dbraw/zinc/82/89/35/1067828935.db2.gz QXMXWMFBFRPRBI-QFIPXVFZSA-N 1 0 471.646 4.295 20 0 JIADRO CCc1c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)nnn1Cc1ccc(F)cc1 ZINC001357283975 1067830507 /nfs/dbraw/zinc/83/05/07/1067830507.db2.gz FXPNUCVGRJIAMT-UHFFFAOYSA-N 1 0 453.587 4.137 20 0 JIADRO CCCCN(C)c1ccc(NC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001200196474 1067830656 /nfs/dbraw/zinc/83/06/56/1067830656.db2.gz GCIFRFUPGJDCBF-QFIPXVFZSA-N 1 0 459.635 4.082 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CC=CCC2)cc1OC(F)F ZINC001300172169 1067831366 /nfs/dbraw/zinc/83/13/66/1067831366.db2.gz GKLYZPQKOBJZAB-UHFFFAOYSA-N 1 0 463.573 4.375 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cnc2ncc(Br)cc2c1 ZINC001357305088 1067832421 /nfs/dbraw/zinc/83/24/21/1067832421.db2.gz VGJJDPWBKOHGMM-UHFFFAOYSA-N 1 0 457.397 4.236 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300173872 1067833348 /nfs/dbraw/zinc/83/33/48/1067833348.db2.gz ZRQIWJLIAOTNTH-RBTNQOKQSA-N 1 0 492.668 4.428 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300176453 1067836473 /nfs/dbraw/zinc/83/64/73/1067836473.db2.gz TXZGUMNKCAISAX-QHCPKHFHSA-N 1 0 466.605 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300180259 1067843290 /nfs/dbraw/zinc/84/32/90/1067843290.db2.gz KIZQGMFNQOJHJJ-CCLHPLFOSA-N 1 0 479.673 4.295 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC001300180860 1067843840 /nfs/dbraw/zinc/84/38/40/1067843840.db2.gz VUYXXPOJKPYIKI-JOCHJYFZSA-N 1 0 455.647 4.482 20 0 JIADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC001473279966 1067861522 /nfs/dbraw/zinc/86/15/22/1067861522.db2.gz USINXPWZBXPNOL-IEBWSBKVSA-N 1 0 452.437 4.349 20 0 JIADRO Cc1cccc(CO[C@H]2C[C@@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@@H+]3C2)n1 ZINC001200223216 1067867399 /nfs/dbraw/zinc/86/73/99/1067867399.db2.gz UEGAIYLUQCVZOJ-RTWAWAEBSA-N 1 0 489.483 4.441 20 0 JIADRO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC001300201635 1067872298 /nfs/dbraw/zinc/87/22/98/1067872298.db2.gz DTIWLWQZOXEALL-UHFFFAOYSA-N 1 0 455.006 4.326 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001492557720 1067872348 /nfs/dbraw/zinc/87/23/48/1067872348.db2.gz ULQOZPQBZBCFGA-JOCHJYFZSA-N 1 0 464.614 4.035 20 0 JIADRO C[C@@H](NC(=O)c1c(Cl)nc2cc(Cl)ccn21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578833 1067873695 /nfs/dbraw/zinc/87/36/95/1067873695.db2.gz NBHKNEOAYCEBFQ-CYBMUJFWSA-N 1 0 450.345 4.023 20 0 JIADRO O[C@H](C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)cc1 ZINC001473291573 1067875013 /nfs/dbraw/zinc/87/50/13/1067875013.db2.gz HFEGGURAXWCBCU-IRFCIJBXSA-N 1 0 456.327 4.055 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NCc1c(OC)cc(OC)cc1OC)c1cccc(C(F)(F)F)c1 ZINC001357625430 1067878689 /nfs/dbraw/zinc/87/86/89/1067878689.db2.gz FJQSBGZZQHBWLX-OAQYLSRUSA-N 1 0 454.489 4.431 20 0 JIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001353148957 1067881555 /nfs/dbraw/zinc/88/15/55/1067881555.db2.gz VTXQZCKTBXMVPY-UHFFFAOYSA-N 1 0 455.002 4.115 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3oc4ccccc4c3Br)cc2)C1 ZINC001357644869 1067881714 /nfs/dbraw/zinc/88/17/14/1067881714.db2.gz LQYCZYBGBYWDHU-HNNXBMFYSA-N 1 0 456.340 4.145 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC001300212712 1067882869 /nfs/dbraw/zinc/88/28/69/1067882869.db2.gz FQLGOSLICAPTLG-UHFFFAOYSA-N 1 0 495.590 4.243 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(I)cc3)C[C@H]21 ZINC001473302221 1067885828 /nfs/dbraw/zinc/88/58/28/1067885828.db2.gz MMUCNDZLNJGCRA-KBAYOESNSA-N 1 0 456.368 4.416 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C[C@H]21 ZINC001473302605 1067889169 /nfs/dbraw/zinc/88/91/69/1067889169.db2.gz SXWZDUXRHKIDAH-RGCFKVTRSA-N 1 0 457.384 4.247 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001357905384 1067936839 /nfs/dbraw/zinc/93/68/39/1067936839.db2.gz PKGLGGBAPQTWMB-UHFFFAOYSA-N 1 0 452.599 4.494 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(F)(F)c3c(F)cccc3F)cc2)C[C@H]1C ZINC001357904733 1067936855 /nfs/dbraw/zinc/93/68/55/1067936855.db2.gz GSJQBUKNQRUTPM-CALCHBBNSA-N 1 0 452.492 4.382 20 0 JIADRO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960741 1067960357 /nfs/dbraw/zinc/96/03/57/1067960357.db2.gz YLBTZJUMEQCNBF-RCZVLFRGSA-N 1 0 457.565 4.435 20 0 JIADRO CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960238 1067960707 /nfs/dbraw/zinc/96/07/07/1067960707.db2.gz SWGOSYUKMJGJIQ-UNMCSNQZSA-N 1 0 455.549 4.221 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001300249744 1067997227 /nfs/dbraw/zinc/99/72/27/1067997227.db2.gz XVQDEKKDHNJMGN-HXUWFJFHSA-N 1 0 453.587 4.101 20 0 JIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358039340 1068000192 /nfs/dbraw/zinc/00/01/92/1068000192.db2.gz LWZDVRUBAQORLA-UBWHGVKJSA-N 1 0 451.876 4.060 20 0 JIADRO COc1ccc(OC)c(CCCn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001300252441 1068005070 /nfs/dbraw/zinc/00/50/70/1068005070.db2.gz CIGKODLSHRHZHZ-UHFFFAOYSA-N 1 0 467.614 4.275 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001492562060 1068012189 /nfs/dbraw/zinc/01/21/89/1068012189.db2.gz QCYUOTTVMMNHFR-GAJHUEQPSA-N 1 0 465.564 4.266 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC001358077618 1068012520 /nfs/dbraw/zinc/01/25/20/1068012520.db2.gz OJIVVHCHPDOMGR-LJQANCHMSA-N 1 0 457.565 4.032 20 0 JIADRO Cn1ncc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1Cc1ccccc1 ZINC001358081184 1068013486 /nfs/dbraw/zinc/01/34/86/1068013486.db2.gz WMONYCFREFMGIG-UHFFFAOYSA-N 1 0 459.594 4.468 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2F)cc1OC ZINC001358085900 1068016127 /nfs/dbraw/zinc/01/61/27/1068016127.db2.gz PEAYXYDHLHXBNF-UHFFFAOYSA-N 1 0 456.345 4.465 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001358094736 1068017995 /nfs/dbraw/zinc/01/79/95/1068017995.db2.gz FVBMJUABBGEAGO-HSZRJFAPSA-N 1 0 453.608 4.018 20 0 JIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001353312423 1068020908 /nfs/dbraw/zinc/02/09/08/1068020908.db2.gz BSVDSMLYBJUNQJ-SFHVURJKSA-N 1 0 452.521 4.173 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300263944 1068031600 /nfs/dbraw/zinc/03/16/00/1068031600.db2.gz CAJHHKCEXMFQSY-NJDAHSKKSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300266053 1068037161 /nfs/dbraw/zinc/03/71/61/1068037161.db2.gz BAENYAKLCXCJDB-ROUUACIJSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300266269 1068037476 /nfs/dbraw/zinc/03/74/76/1068037476.db2.gz DMQMQPDDEPQDLL-VSKRKVRLSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300266971 1068038868 /nfs/dbraw/zinc/03/88/68/1068038868.db2.gz MMFAZHFBUPQSHO-QHCPKHFHSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300267383 1068040048 /nfs/dbraw/zinc/04/00/48/1068040048.db2.gz AQNZJFIJIMUQCY-URXFXBBRSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300268028 1068041303 /nfs/dbraw/zinc/04/13/03/1068041303.db2.gz CXHPCIGRZKNJJT-FKBYEOEOSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300268026 1068041505 /nfs/dbraw/zinc/04/15/05/1068041505.db2.gz CXHPCIGRZKNJJT-FDFHNCONSA-N 1 0 471.646 4.134 20 0 JIADRO Cc1cc(Br)c(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1Cl ZINC001358211087 1068045009 /nfs/dbraw/zinc/04/50/09/1068045009.db2.gz YTPVNDIBXGQOJA-UHFFFAOYSA-N 1 0 452.736 4.133 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1C ZINC001358229564 1068047660 /nfs/dbraw/zinc/04/76/60/1068047660.db2.gz PLUMNXLBVUXKIS-UHFFFAOYSA-N 1 0 457.640 4.306 20 0 JIADRO CC1(C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001358264686 1068054680 /nfs/dbraw/zinc/05/46/80/1068054680.db2.gz NLYCQGPWFDEOIH-UHFFFAOYSA-N 1 0 456.608 4.069 20 0 JIADRO Cc1ccc(CNC(=S)N(C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)cc1 ZINC001200315955 1068056316 /nfs/dbraw/zinc/05/63/16/1068056316.db2.gz LZJQORYXDXCJEC-UHFFFAOYSA-N 1 0 460.688 4.165 20 0 JIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nc(Br)ccc2Br)c1 ZINC001358281824 1068058371 /nfs/dbraw/zinc/05/83/71/1068058371.db2.gz INXFSTYKZXGHHP-UHFFFAOYSA-N 1 0 455.194 4.119 20 0 JIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC001473366389 1068071924 /nfs/dbraw/zinc/07/19/24/1068071924.db2.gz DCDZZANBNWHJLE-NRFANRHFSA-N 1 0 454.578 4.336 20 0 JIADRO CC(C)Cn1ncc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC001353389282 1068079600 /nfs/dbraw/zinc/07/96/00/1068079600.db2.gz YRBXKQBJAYKHLN-UHFFFAOYSA-N 1 0 459.594 4.284 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)cc1 ZINC001300290659 1068094660 /nfs/dbraw/zinc/09/46/60/1068094660.db2.gz KOFPPYJGWDDRSV-QFIPXVFZSA-N 1 0 471.646 4.136 20 0 JIADRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001358452493 1068095329 /nfs/dbraw/zinc/09/53/29/1068095329.db2.gz SLRYHIBIUHOWAC-RUZDIDTESA-N 1 0 455.537 4.110 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)c1cccc(Br)c1 ZINC001358456588 1068095650 /nfs/dbraw/zinc/09/56/50/1068095650.db2.gz GVJKRTXXUZFMEE-NRFANRHFSA-N 1 0 458.400 4.389 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cnn(-c2ccncc2)c1C)c1cccc(Br)c1 ZINC001358457795 1068095690 /nfs/dbraw/zinc/09/56/90/1068095690.db2.gz ZKVJWWBIYFWCCA-UHFFFAOYSA-N 1 0 456.388 4.327 20 0 JIADRO CCN(CC)C(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001358503615 1068125833 /nfs/dbraw/zinc/12/58/33/1068125833.db2.gz HXSJIPYDXSVZJV-RRPNLBNLSA-N 1 0 470.617 4.096 20 0 JIADRO COc1ccc(NC(=S)Nc2ccc(C)cc2Cl)cc1OCCCN1CC[NH+](C)CC1 ZINC001200340056 1068139167 /nfs/dbraw/zinc/13/91/67/1068139167.db2.gz WMEVRVYTVRAHIT-UHFFFAOYSA-N 1 0 463.047 4.482 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300312164 1068195266 /nfs/dbraw/zinc/19/52/66/1068195266.db2.gz JQUINOFYDOTFNP-JOCHJYFZSA-N 1 0 478.641 4.293 20 0 JIADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC001473543984 1068231683 /nfs/dbraw/zinc/23/16/83/1068231683.db2.gz JPJUMZMGDWIUSZ-AREMUKBSSA-N 1 0 458.549 4.383 20 0 JIADRO COc1ccc(OCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC001300323920 1068248069 /nfs/dbraw/zinc/24/80/69/1068248069.db2.gz RJPLAXBRSWOCMU-UHFFFAOYSA-N 1 0 455.647 4.409 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300331118 1068273130 /nfs/dbraw/zinc/27/31/30/1068273130.db2.gz RQVJWQCEETXCAC-NRFANRHFSA-N 1 0 469.674 4.469 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC001200371897 1068284841 /nfs/dbraw/zinc/28/48/41/1068284841.db2.gz FXMJUMXGGGXPJI-RUZDIDTESA-N 1 0 452.599 4.411 20 0 JIADRO CS(=O)(=O)N1CCc2cc(-c3csc(NC4CC[NH+](Cc5ccccc5)CC4)n3)ccc21 ZINC000518733395 1068310721 /nfs/dbraw/zinc/31/07/21/1068310721.db2.gz UVYMRPWJLMVVIF-UHFFFAOYSA-N 1 0 468.648 4.209 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(C)CC2CC(F)(F)C2)[NH+](C)C)c1 ZINC001300339353 1068318850 /nfs/dbraw/zinc/31/88/50/1068318850.db2.gz GPVQBTSETUDTSG-JOCHJYFZSA-N 1 0 470.568 4.057 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc2s1 ZINC000503045606 1068320325 /nfs/dbraw/zinc/32/03/25/1068320325.db2.gz DNNBMVAGTQXPBZ-KRWDZBQOSA-N 1 0 485.679 4.352 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300340072 1068321349 /nfs/dbraw/zinc/32/13/49/1068321349.db2.gz KMKKHYAAWFDPLY-ZCYQVOJMSA-N 1 0 462.642 4.448 20 0 JIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001353557778 1068322212 /nfs/dbraw/zinc/32/22/12/1068322212.db2.gz BCHVGOKMVTWBDW-UHFFFAOYSA-N 1 0 458.393 4.070 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N(C)C[C@@H]2CCCCO2)[NH+](C)C)c1 ZINC001300341863 1068330083 /nfs/dbraw/zinc/33/00/83/1068330083.db2.gz TXLPBJYNLULIMS-ZEQRLZLVSA-N 1 0 455.647 4.328 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)n1 ZINC000523445206 1068345346 /nfs/dbraw/zinc/34/53/46/1068345346.db2.gz WEICAAAVYFAEMR-UHFFFAOYSA-N 1 0 460.401 4.147 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001300346255 1068345306 /nfs/dbraw/zinc/34/53/06/1068345306.db2.gz UABPIYWBLAOHMQ-UHFFFAOYSA-N 1 0 496.656 4.051 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001300346324 1068345600 /nfs/dbraw/zinc/34/56/00/1068345600.db2.gz WGUJWLPCFPTRRW-ANYOXOOPSA-N 1 0 496.700 4.492 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300350879 1068361409 /nfs/dbraw/zinc/36/14/09/1068361409.db2.gz PGLUWRPQXFZBCY-HDICACEKSA-N 1 0 484.670 4.243 20 0 JIADRO CCCCc1ccc(NC(=S)N[C@@H]2CCc3c(ccc(=O)n3CC[NH+]3CCCC3)C2)cc1 ZINC001200391233 1068366120 /nfs/dbraw/zinc/36/61/20/1068366120.db2.gz RKVMLSRIWYAFAC-HSZRJFAPSA-N 1 0 452.668 4.131 20 0 JIADRO C[N@@H+]1C[C@@H](CNC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)[C@H](c2ccccc2)C1 ZINC001200393336 1068370951 /nfs/dbraw/zinc/37/09/51/1068370951.db2.gz JWXPKGOVNGQXJF-VWNXMTODSA-N 1 0 464.610 4.447 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001300354567 1068373154 /nfs/dbraw/zinc/37/31/54/1068373154.db2.gz FKIMQOGUFISARS-REWPJTCUSA-N 1 0 455.647 4.206 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001300367058 1068405971 /nfs/dbraw/zinc/40/59/71/1068405971.db2.gz MFUAOJNZIVHGLQ-OAQYLSRUSA-N 1 0 455.647 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300370259 1068420469 /nfs/dbraw/zinc/42/04/69/1068420469.db2.gz WRRLOOAFUZNKKN-CALCHBBNSA-N 1 0 480.440 4.352 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300375535 1068444119 /nfs/dbraw/zinc/44/41/19/1068444119.db2.gz DTEFWQAFNOZQRV-LVXARBLLSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001300379376 1068463686 /nfs/dbraw/zinc/46/36/86/1068463686.db2.gz SYMGNWAZJQMDOM-JTHBVZDNSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001300379260 1068463816 /nfs/dbraw/zinc/46/38/16/1068463816.db2.gz AVBWOYWMDMBRDS-ZJSXRUAMSA-N 1 0 485.673 4.239 20 0 JIADRO C[C@H](NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001353705047 1068485291 /nfs/dbraw/zinc/48/52/91/1068485291.db2.gz PHRAURCANJMFAZ-JCRIEJSWSA-N 1 0 458.562 4.165 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001300389481 1068500341 /nfs/dbraw/zinc/50/03/41/1068500341.db2.gz OTKAXYROBBRMED-UUWRZZSWSA-N 1 0 487.714 4.203 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001300390296 1068505826 /nfs/dbraw/zinc/50/58/26/1068505826.db2.gz WEZLSIVNYGYMQN-PMACEKPBSA-N 1 0 494.606 4.149 20 0 JIADRO FC(F)(F)c1ccc(NC(=S)NCC[NH+]2CCCCC2)c(I)c1 ZINC001200430598 1068515652 /nfs/dbraw/zinc/51/56/52/1068515652.db2.gz WFNZSCZDSZRDJF-UHFFFAOYSA-N 1 0 457.303 4.082 20 0 JIADRO CCc1nc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)cc2nc1CC ZINC001353735530 1068526664 /nfs/dbraw/zinc/52/66/64/1068526664.db2.gz NFERZZMFEOSFNI-OAQYLSRUSA-N 1 0 459.594 4.173 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001300406364 1068570715 /nfs/dbraw/zinc/57/07/15/1068570715.db2.gz CWNSTMTYFJWQPR-DEOSSOPVSA-N 1 0 466.630 4.369 20 0 JIADRO COc1cccc(C2CCN(c3nnc(-c4cccn4C)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300406477 1068571489 /nfs/dbraw/zinc/57/14/89/1068571489.db2.gz YILYJRNXVIAZBB-UHFFFAOYSA-N 1 0 450.631 4.407 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 ZINC001353789369 1068587756 /nfs/dbraw/zinc/58/77/56/1068587756.db2.gz LMLLQOQFWQSGPM-UHFFFAOYSA-N 1 0 453.974 4.158 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CCO2)c1 ZINC001300410884 1068590136 /nfs/dbraw/zinc/59/01/36/1068590136.db2.gz VPZYYHZZVXNTFV-IRLDBZIGSA-N 1 0 453.587 4.058 20 0 JIADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC001200450115 1068596321 /nfs/dbraw/zinc/59/63/21/1068596321.db2.gz LJBPHHSZMSQCHF-UHFFFAOYSA-N 1 0 458.169 4.489 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300420532 1068631313 /nfs/dbraw/zinc/63/13/13/1068631313.db2.gz APLYIOPDNKLXFC-UBFVSLLYSA-N 1 0 499.700 4.199 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300420897 1068635551 /nfs/dbraw/zinc/63/55/51/1068635551.db2.gz NDUKOIRPZBJLQK-GOSISDBHSA-N 1 0 454.644 4.011 20 0 JIADRO C[C@@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001353844563 1068656065 /nfs/dbraw/zinc/65/60/65/1068656065.db2.gz IWVJXJBMDAUAJA-UTKZUKDTSA-N 1 0 454.571 4.479 20 0 JIADRO CCC[C@@H]1CN(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC[N@@H+]1CCOC ZINC001200473379 1068684669 /nfs/dbraw/zinc/68/46/69/1068684669.db2.gz GKSYQOMIAPZVKC-GPNASLBKSA-N 1 0 457.640 4.100 20 0 JIADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)cc(N2CCCC2)c1 ZINC001300434580 1068692118 /nfs/dbraw/zinc/69/21/18/1068692118.db2.gz BYGJKVDWPRYMQD-UHFFFAOYSA-N 1 0 457.416 4.086 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300440144 1068713013 /nfs/dbraw/zinc/71/30/13/1068713013.db2.gz QENLIAAJELIILA-SFTDATJTSA-N 1 0 486.680 4.461 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300440827 1068714429 /nfs/dbraw/zinc/71/44/29/1068714429.db2.gz XSOPOBCYUZKRHE-NHCUHLMSSA-N 1 0 486.680 4.418 20 0 JIADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC001200486654 1068718769 /nfs/dbraw/zinc/71/87/69/1068718769.db2.gz OMGYZEDOJVOVSL-RJYAGPCLSA-N 1 0 453.530 4.209 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001300442172 1068720060 /nfs/dbraw/zinc/72/00/60/1068720060.db2.gz BNKFJGBHDFLIFE-JOCHJYFZSA-N 1 0 468.690 4.324 20 0 JIADRO CC[C@@H](C)NC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491269 1068733840 /nfs/dbraw/zinc/73/38/40/1068733840.db2.gz HEQZKSOYXMZHAO-IRLDBZIGSA-N 1 0 474.715 4.398 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCCCC1)[NH+]1CCCC1 ZINC001300457077 1068779323 /nfs/dbraw/zinc/77/93/23/1068779323.db2.gz ZSOAHWTYWSANCA-JOCHJYFZSA-N 1 0 468.646 4.031 20 0 JIADRO C[C@@H](Oc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001200508197 1068784201 /nfs/dbraw/zinc/78/42/01/1068784201.db2.gz QGWXONKOTNAGRQ-VEEZFSHISA-N 1 0 450.583 4.032 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492565752 1068799020 /nfs/dbraw/zinc/79/90/20/1068799020.db2.gz IOBBSAFMBJOTET-LADGPHEKSA-N 1 0 466.674 4.115 20 0 JIADRO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1OC ZINC001200511784 1068800458 /nfs/dbraw/zinc/80/04/58/1068800458.db2.gz JFVPSKMHAXJWSE-TYPHKJRUSA-N 1 0 459.681 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001300463375 1068801453 /nfs/dbraw/zinc/80/14/53/1068801453.db2.gz CWARAAJRVHWIAG-UHFFFAOYSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)noc2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300464757 1068802812 /nfs/dbraw/zinc/80/28/12/1068802812.db2.gz DAADEHVXXJEESZ-UHFFFAOYSA-N 1 0 452.603 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300469531 1068810401 /nfs/dbraw/zinc/81/04/01/1068810401.db2.gz CGGVHWNCAPVMNU-IRXDYDNUSA-N 1 0 469.552 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300474305 1068820872 /nfs/dbraw/zinc/82/08/72/1068820872.db2.gz GTUGAFQIKXNDKV-UHFFFAOYSA-N 1 0 481.563 4.377 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492566344 1068825384 /nfs/dbraw/zinc/82/53/84/1068825384.db2.gz QIVUZUZHYLJQLF-XJUOHMSHSA-N 1 0 466.674 4.103 20 0 JIADRO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)CC2)c1OC ZINC001200527754 1068826176 /nfs/dbraw/zinc/82/61/76/1068826176.db2.gz FHWVCWBZOHERRL-UHFFFAOYSA-N 1 0 485.547 4.490 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300484725 1068842036 /nfs/dbraw/zinc/84/20/36/1068842036.db2.gz VTKXWHOHQGEMBH-REWPJTCUSA-N 1 0 455.647 4.327 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001492568272 1068842996 /nfs/dbraw/zinc/84/29/96/1068842996.db2.gz UYTPXSQUDSMIFL-QHCPKHFHSA-N 1 0 480.701 4.460 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001300485317 1068843755 /nfs/dbraw/zinc/84/37/55/1068843755.db2.gz HYZKULPUEZWKEE-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535054 1068845562 /nfs/dbraw/zinc/84/55/62/1068845562.db2.gz FMJPDVNCVZNKMF-WBVHZDCISA-N 1 0 465.978 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300491677 1068856903 /nfs/dbraw/zinc/85/69/03/1068856903.db2.gz NZXVBUFLXPFPRE-NFBKMPQASA-N 1 0 455.647 4.325 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001200543214 1068860692 /nfs/dbraw/zinc/86/06/92/1068860692.db2.gz RYOQKVKYENUXAT-QNLPTKCRSA-N 1 0 457.640 4.100 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300498422 1068866827 /nfs/dbraw/zinc/86/68/27/1068866827.db2.gz NKEGFVCVGLVMDH-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300507493 1068881954 /nfs/dbraw/zinc/88/19/54/1068881954.db2.gz PIXIQOFLSROCLU-UHFFFAOYSA-N 1 0 484.689 4.157 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)CCOCC1 ZINC001300513416 1068893918 /nfs/dbraw/zinc/89/39/18/1068893918.db2.gz MOIOLAXEMAQXRK-UHFFFAOYSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300513522 1068894470 /nfs/dbraw/zinc/89/44/70/1068894470.db2.gz OCXQZAHVRMOPAJ-LJQANCHMSA-N 1 0 494.606 4.149 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300521153 1068912769 /nfs/dbraw/zinc/91/27/69/1068912769.db2.gz LLFZNBDZFFSATN-NXHRZFHOSA-N 1 0 463.504 4.484 20 0 JIADRO COCCOCc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1F ZINC001354133581 1068919925 /nfs/dbraw/zinc/91/99/25/1068919925.db2.gz HREWHNHVTZXLHD-UHFFFAOYSA-N 1 0 457.546 4.056 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300529839 1068938867 /nfs/dbraw/zinc/93/88/67/1068938867.db2.gz LWFSKPSVXXHGEZ-FIXSFTCYSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300531536 1068944596 /nfs/dbraw/zinc/94/45/96/1068944596.db2.gz XFDBAFHQGUGOOU-GCJKJVERSA-N 1 0 479.654 4.119 20 0 JIADRO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3C(=S)Nc3ccc(F)c(Cl)c3)O2)CC1 ZINC001200585076 1068954695 /nfs/dbraw/zinc/95/46/95/1068954695.db2.gz ZXVCIKMCPSHPNV-DUXKGJEZSA-N 1 0 456.027 4.156 20 0 JIADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC001200587180 1068961727 /nfs/dbraw/zinc/96/17/27/1068961727.db2.gz MLSOBBYTXQVNSA-INIZCTEOSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300539271 1068965477 /nfs/dbraw/zinc/96/54/77/1068965477.db2.gz AOXVWCXFZMSPLP-IBGZPJMESA-N 1 0 468.652 4.335 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cscn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300539698 1068967614 /nfs/dbraw/zinc/96/76/14/1068967614.db2.gz KXONWWOFBIVUJF-LJQANCHMSA-N 1 0 454.644 4.091 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300540194 1068969617 /nfs/dbraw/zinc/96/96/17/1068969617.db2.gz SKWVXEDBJRDNHQ-GMAHTHKFSA-N 1 0 455.647 4.005 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492569465 1068972418 /nfs/dbraw/zinc/97/24/18/1068972418.db2.gz YFZYULGAENYQAH-LADGPHEKSA-N 1 0 466.674 4.067 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300541723 1068974323 /nfs/dbraw/zinc/97/43/23/1068974323.db2.gz BNTLCMGNXCMSNN-FQEVSTJZSA-N 1 0 468.671 4.133 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001492569698 1068975517 /nfs/dbraw/zinc/97/55/17/1068975517.db2.gz FRUIPVJAFMCVHZ-VWLOTQADSA-N 1 0 455.647 4.006 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300546868 1068986387 /nfs/dbraw/zinc/98/63/87/1068986387.db2.gz GZFQRCRRGALDPM-WIYYLYMNSA-N 1 0 483.579 4.152 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC001200598363 1068989454 /nfs/dbraw/zinc/98/94/54/1068989454.db2.gz YCVXQCVZWQMNOH-OAHLLOKOSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300549475 1068995739 /nfs/dbraw/zinc/99/57/39/1068995739.db2.gz XWUKBERGEUDTFQ-WOJBJXKFSA-N 1 0 457.688 4.472 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001300556042 1069011075 /nfs/dbraw/zinc/01/10/75/1069011075.db2.gz MNRLMRSAPNSUKA-NDEPHWFRSA-N 1 0 483.701 4.375 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492587070 1069018641 /nfs/dbraw/zinc/01/86/41/1069018641.db2.gz CYIILLPAWNJCHL-HXUWFJFHSA-N 1 0 478.607 4.125 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@H](C)OC ZINC001300560777 1069029037 /nfs/dbraw/zinc/02/90/37/1069029037.db2.gz BRSNADIFOIEZRS-FDFHNCONSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@H](C)OC ZINC001300560776 1069029187 /nfs/dbraw/zinc/02/91/87/1069029187.db2.gz BRSNADIFOIEZRS-BHIFYINESA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492589110 1069036925 /nfs/dbraw/zinc/03/69/25/1069036925.db2.gz XYGBOGAMMXJMCW-RPBOFIJWSA-N 1 0 469.674 4.070 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300562501 1069038308 /nfs/dbraw/zinc/03/83/08/1069038308.db2.gz LBCGKBNBOZDWMC-HXUWFJFHSA-N 1 0 495.590 4.300 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300563125 1069039690 /nfs/dbraw/zinc/03/96/90/1069039690.db2.gz NAUUNECCRDVUSW-KCWPFWIISA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492589539 1069041877 /nfs/dbraw/zinc/04/18/77/1069041877.db2.gz WHKFWTIHIHMVTL-LADGPHEKSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492573054 1069050927 /nfs/dbraw/zinc/05/09/27/1069050927.db2.gz NRYKCDHONISRJZ-FUPPJEDESA-N 1 0 466.674 4.087 20 0 JIADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482767 1069051939 /nfs/dbraw/zinc/05/19/39/1069051939.db2.gz SISZWNMICBCCGY-WOJBJXKFSA-N 1 0 494.467 4.418 20 0 JIADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849487687 1069054696 /nfs/dbraw/zinc/05/46/96/1069054696.db2.gz MFKGWURRQMVLSE-QZTJIDSGSA-N 1 0 480.440 4.028 20 0 JIADRO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849491103 1069057564 /nfs/dbraw/zinc/05/75/64/1069057564.db2.gz QZGFVIRJDGFSJC-QUCCMNQESA-N 1 0 453.612 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849491536 1069060334 /nfs/dbraw/zinc/06/03/34/1069060334.db2.gz YXFBKLFNQVMCKY-JWQCQUIFSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849493741 1069064589 /nfs/dbraw/zinc/06/45/89/1069064589.db2.gz YYORAQQDLFUABA-SFTDATJTSA-N 1 0 451.596 4.187 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849495350 1069064693 /nfs/dbraw/zinc/06/46/93/1069064693.db2.gz BUUGWMBCZCKMFS-NHCUHLMSSA-N 1 0 461.448 4.435 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849495351 1069065846 /nfs/dbraw/zinc/06/58/46/1069065846.db2.gz BUUGWMBCZCKMFS-RTWAWAEBSA-N 1 0 461.448 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849497042 1069068553 /nfs/dbraw/zinc/06/85/53/1069068553.db2.gz CONRWFPQGOBXPZ-NHCUHLMSSA-N 1 0 461.448 4.091 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501535 1069073953 /nfs/dbraw/zinc/07/39/53/1069073953.db2.gz WBZVAXAAIUNUHI-SVBPBHIXSA-N 1 0 460.622 4.267 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)[NH+]2CCCC2)cc1 ZINC000504152947 1069077637 /nfs/dbraw/zinc/07/76/37/1069077637.db2.gz PDOCUNJTVLNYIG-FQEVSTJZSA-N 1 0 455.559 4.235 20 0 JIADRO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1F ZINC000849503897 1069082421 /nfs/dbraw/zinc/08/24/21/1069082421.db2.gz MWSWWVCLRJMETM-RTWAWAEBSA-N 1 0 455.603 4.368 20 0 JIADRO CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504821 1069083417 /nfs/dbraw/zinc/08/34/17/1069083417.db2.gz QVFSUQDAMMBQKP-LOSJGSFVSA-N 1 0 477.609 4.136 20 0 JIADRO CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504819 1069083471 /nfs/dbraw/zinc/08/34/71/1069083471.db2.gz QVFSUQDAMMBQKP-DQEYMECFSA-N 1 0 477.609 4.136 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1C ZINC000504158926 1069083815 /nfs/dbraw/zinc/08/38/15/1069083815.db2.gz WZSKNFKFQMEEJW-UHFFFAOYSA-N 1 0 498.628 4.417 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504675 1069084472 /nfs/dbraw/zinc/08/44/72/1069084472.db2.gz DJHFJYRKPBPERV-FGZHOGPDSA-N 1 0 473.459 4.235 20 0 JIADRO COc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849506274 1069085243 /nfs/dbraw/zinc/08/52/43/1069085243.db2.gz MDCHPSQAHXLNRK-SVBPBHIXSA-N 1 0 460.622 4.472 20 0 JIADRO O=C(CC[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)NCc1cccnc1 ZINC001200623084 1069085328 /nfs/dbraw/zinc/08/53/28/1069085328.db2.gz USORLTSGOYJDJT-UHFFFAOYSA-N 1 0 459.981 4.443 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505899 1069086177 /nfs/dbraw/zinc/08/61/77/1069086177.db2.gz KEWJXFUNBDVHIE-RCZVLFRGSA-N 1 0 463.626 4.130 20 0 JIADRO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cc(C(F)(F)F)ccc2S1 ZINC000849506588 1069087931 /nfs/dbraw/zinc/08/79/31/1069087931.db2.gz WYWUDKRDYTYMQM-JLSDUUJJSA-N 1 0 452.546 4.392 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)s2)c1 ZINC000504164652 1069088884 /nfs/dbraw/zinc/08/88/84/1069088884.db2.gz MBMKZSWZQVPZEK-HXUWFJFHSA-N 1 0 467.595 4.105 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300573637 1069089579 /nfs/dbraw/zinc/08/95/79/1069089579.db2.gz JOUPYTAZBKIBCK-KNQAVFIVSA-N 1 0 495.590 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507588 1069089925 /nfs/dbraw/zinc/08/99/25/1069089925.db2.gz QETHVLXZJYVIHC-ZPMCFJSWSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509606 1069092037 /nfs/dbraw/zinc/09/20/37/1069092037.db2.gz LYQNARJVXPGXLS-YADHBBJMSA-N 1 0 461.448 4.434 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)cn3)cc2)CC1 ZINC001354307287 1069094369 /nfs/dbraw/zinc/09/43/69/1069094369.db2.gz DXZBQGKFSVCIDO-UHFFFAOYSA-N 1 0 454.372 4.029 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849510833 1069094639 /nfs/dbraw/zinc/09/46/39/1069094639.db2.gz VEXNSRQRQUMUQB-RJGXRXQPSA-N 1 0 473.459 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@@H](c2cnn(C)c2)C1 ZINC000849510681 1069095477 /nfs/dbraw/zinc/09/54/77/1069095477.db2.gz KXZTZLLYVFFOLY-TZIWHRDSSA-N 1 0 481.000 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849511809 1069096166 /nfs/dbraw/zinc/09/61/66/1069096166.db2.gz USYCLJLLDWXDOG-RBUKOAKNSA-N 1 0 453.414 4.126 20 0 JIADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849513377 1069097369 /nfs/dbraw/zinc/09/73/69/1069097369.db2.gz SAYPGGNZUZGSQQ-DNQXCXABSA-N 1 0 467.589 4.121 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514506 1069098070 /nfs/dbraw/zinc/09/80/70/1069098070.db2.gz BXSOGNMSTRIGLV-DQEYMECFSA-N 1 0 460.578 4.400 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514511 1069098875 /nfs/dbraw/zinc/09/88/75/1069098875.db2.gz BXSOGNMSTRIGLV-RPBOFIJWSA-N 1 0 460.578 4.400 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000849515359 1069099183 /nfs/dbraw/zinc/09/91/83/1069099183.db2.gz LRZKAZJWOKWGCP-SFTDATJTSA-N 1 0 474.531 4.386 20 0 JIADRO Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C[C@@H]4c4cnn(C)c4)cc3s2)s1 ZINC000849516431 1069100470 /nfs/dbraw/zinc/10/04/70/1069100470.db2.gz PNLQJILTUBTNBS-QZTJIDSGSA-N 1 0 494.646 4.326 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849517000 1069103366 /nfs/dbraw/zinc/10/33/66/1069103366.db2.gz RRWCNQOIHWWNMU-RPBOFIJWSA-N 1 0 474.609 4.194 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300577542 1069104941 /nfs/dbraw/zinc/10/49/41/1069104941.db2.gz YBOBUDCEILPKFO-NZQKXSOJSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518340 1069105272 /nfs/dbraw/zinc/10/52/72/1069105272.db2.gz GRBLSQVTMVUGPK-RPWUZVMVSA-N 1 0 485.588 4.230 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518337 1069105297 /nfs/dbraw/zinc/10/52/97/1069105297.db2.gz GRBLSQVTMVUGPK-BJKOFHAPSA-N 1 0 485.588 4.230 20 0 JIADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519343 1069107923 /nfs/dbraw/zinc/10/79/23/1069107923.db2.gz JBDOMEOIFJALLY-MUEKUWCCSA-N 1 0 450.558 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518633 1069110912 /nfs/dbraw/zinc/11/09/12/1069110912.db2.gz SGTHKYLCTRWBNK-RTWAWAEBSA-N 1 0 474.531 4.136 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520446 1069111098 /nfs/dbraw/zinc/11/10/98/1069111098.db2.gz ZLPOUAKZCIMPIE-OALUTQOASA-N 1 0 474.531 4.386 20 0 JIADRO COc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519815 1069111813 /nfs/dbraw/zinc/11/18/13/1069111813.db2.gz WZQJHEKBSWJFEJ-JWQCQUIFSA-N 1 0 484.604 4.264 20 0 JIADRO Cc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519545 1069112855 /nfs/dbraw/zinc/11/28/55/1069112855.db2.gz VGDPXMKRYKTXOB-BJKOFHAPSA-N 1 0 454.578 4.255 20 0 JIADRO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849519577 1069112874 /nfs/dbraw/zinc/11/28/74/1069112874.db2.gz KIAGFXSRVPNMIF-ISJGIBHGSA-N 1 0 460.626 4.303 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849522069 1069114483 /nfs/dbraw/zinc/11/44/83/1069114483.db2.gz WXVJYLBXTYHYJS-LOSJGSFVSA-N 1 0 450.627 4.140 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849522071 1069114812 /nfs/dbraw/zinc/11/48/12/1069114812.db2.gz WXVJYLBXTYHYJS-RPBOFIJWSA-N 1 0 450.627 4.140 20 0 JIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849525966 1069123250 /nfs/dbraw/zinc/12/32/50/1069123250.db2.gz PVMDIEKPEPKSNG-VQTJNVASSA-N 1 0 460.022 4.007 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300582789 1069124858 /nfs/dbraw/zinc/12/48/58/1069124858.db2.gz KQRPIDPLGLNXLE-QFIPXVFZSA-N 1 0 462.642 4.456 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849527144 1069125175 /nfs/dbraw/zinc/12/51/75/1069125175.db2.gz VDMFHEMCDKCLBQ-RTWAWAEBSA-N 1 0 472.033 4.152 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300583016 1069125488 /nfs/dbraw/zinc/12/54/88/1069125488.db2.gz MXVCDFHHRXUTEO-SFTDATJTSA-N 1 0 450.631 4.092 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300586078 1069132714 /nfs/dbraw/zinc/13/27/14/1069132714.db2.gz AGBBJOZTCRMUSP-LYZGTLIUSA-N 1 0 493.700 4.338 20 0 JIADRO FC(F)(F)c1ccnc(NCC[NH2+]Cc2cc(Br)cc(Br)c2)n1 ZINC001200640196 1069140815 /nfs/dbraw/zinc/14/08/15/1069140815.db2.gz PCIGNYIRKROSEO-UHFFFAOYSA-N 1 0 454.088 4.222 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001354366264 1069143047 /nfs/dbraw/zinc/14/30/47/1069143047.db2.gz BVAWJYMZSCXFJA-JUIYCPNDSA-N 1 0 463.666 4.215 20 0 JIADRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849546295 1069181097 /nfs/dbraw/zinc/18/10/97/1069181097.db2.gz AKLHEMQEBLKWDK-JWQCQUIFSA-N 1 0 454.659 4.360 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547150 1069182680 /nfs/dbraw/zinc/18/26/80/1069182680.db2.gz FRXSPDDXFFUAMV-ROUUACIJSA-N 1 0 487.391 4.048 20 0 JIADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849546959 1069185059 /nfs/dbraw/zinc/18/50/59/1069185059.db2.gz CHXWVVOGUMEBMC-QZTJIDSGSA-N 1 0 461.397 4.203 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849547720 1069186120 /nfs/dbraw/zinc/18/61/20/1069186120.db2.gz JQKDILNFRCMSOL-PMACEKPBSA-N 1 0 454.962 4.108 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549006 1069187051 /nfs/dbraw/zinc/18/70/51/1069187051.db2.gz QAHINWMLFKSXJB-CDNPAEQRSA-N 1 0 475.475 4.382 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849547722 1069187111 /nfs/dbraw/zinc/18/71/11/1069187111.db2.gz JQKDILNFRCMSOL-VQTJNVASSA-N 1 0 454.962 4.108 20 0 JIADRO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCCC2 ZINC000849549245 1069187223 /nfs/dbraw/zinc/18/72/23/1069187223.db2.gz RLKVZSXEVFKANC-UYAOXDASSA-N 1 0 472.655 4.378 20 0 JIADRO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550134 1069189729 /nfs/dbraw/zinc/18/97/29/1069189729.db2.gz CJMMYHVBAFUQIR-LEWJYISDSA-N 1 0 465.985 4.024 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550391 1069189844 /nfs/dbraw/zinc/18/98/44/1069189844.db2.gz DFUVDMZULAHUSN-FGZHOGPDSA-N 1 0 452.986 4.004 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849550958 1069190675 /nfs/dbraw/zinc/19/06/75/1069190675.db2.gz AKMLIPOPTSEZCV-CDNPAEQRSA-N 1 0 469.630 4.458 20 0 JIADRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849551357 1069191137 /nfs/dbraw/zinc/19/11/37/1069191137.db2.gz JBOPJKWPKHBSSP-SFTDATJTSA-N 1 0 460.557 4.095 20 0 JIADRO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550137 1069191182 /nfs/dbraw/zinc/19/11/82/1069191182.db2.gz CJMMYHVBAFUQIR-SFTDATJTSA-N 1 0 465.985 4.024 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849550533 1069192271 /nfs/dbraw/zinc/19/22/71/1069192271.db2.gz ZFTIGGCBOXQRJP-ZEQRLZLVSA-N 1 0 456.656 4.285 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552279 1069193499 /nfs/dbraw/zinc/19/34/99/1069193499.db2.gz NGUQXMJWLDINNG-NHCUHLMSSA-N 1 0 483.410 4.436 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553362 1069194923 /nfs/dbraw/zinc/19/49/23/1069194923.db2.gz JDNAUUMYGYIQCO-DPLHUUCSSA-N 1 0 470.589 4.361 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553823 1069198157 /nfs/dbraw/zinc/19/81/57/1069198157.db2.gz TUJHGNAHGLJINP-FJIJXJHWSA-N 1 0 452.986 4.023 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555127 1069201101 /nfs/dbraw/zinc/20/11/01/1069201101.db2.gz XHZJEMUPAUHGTF-VXKWHMMOSA-N 1 0 465.425 4.080 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555506 1069203352 /nfs/dbraw/zinc/20/33/52/1069203352.db2.gz ZHCAUIOCJRGEIK-SSPYTLHUSA-N 1 0 452.986 4.023 20 0 JIADRO COc1cccc(C(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557835 1069204600 /nfs/dbraw/zinc/20/46/00/1069204600.db2.gz KAZOHRCKWMRVJY-UIOOFZCWSA-N 1 0 476.621 4.157 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Oc1cccc(C(F)(F)F)c1 ZINC000849560177 1069208085 /nfs/dbraw/zinc/20/80/85/1069208085.db2.gz YBEAEJQUNTXLDF-CEMLEFRQSA-N 1 0 466.548 4.227 20 0 JIADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849559750 1069208618 /nfs/dbraw/zinc/20/86/18/1069208618.db2.gz WIDNGUAVNPWDRT-RTWAWAEBSA-N 1 0 463.420 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849563246 1069211012 /nfs/dbraw/zinc/21/10/12/1069211012.db2.gz JHSLMYJFOOLCNZ-LEWJYISDSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849563249 1069211817 /nfs/dbraw/zinc/21/18/17/1069211817.db2.gz JHSLMYJFOOLCNZ-SFTDATJTSA-N 1 0 460.504 4.077 20 0 JIADRO CCC1(CC)CN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565123 1069214479 /nfs/dbraw/zinc/21/44/79/1069214479.db2.gz TZZNBZHIIWVFOR-OALUTQOASA-N 1 0 459.432 4.323 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849567373 1069217690 /nfs/dbraw/zinc/21/76/90/1069217690.db2.gz GTNIICMPHAVXCF-ILWGZMRPSA-N 1 0 459.034 4.205 20 0 JIADRO CCOc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567554 1069219664 /nfs/dbraw/zinc/21/96/64/1069219664.db2.gz HYDNGBSPMVSLRC-DSITVLBTSA-N 1 0 467.013 4.413 20 0 JIADRO COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569042 1069220524 /nfs/dbraw/zinc/22/05/24/1069220524.db2.gz RGPKGUQOLCOYJU-SXOMAYOGSA-N 1 0 476.621 4.394 20 0 JIADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849569792 1069221044 /nfs/dbraw/zinc/22/10/44/1069221044.db2.gz VTXJIIZDDFNISG-MSOLQXFVSA-N 1 0 492.418 4.204 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849573921 1069225279 /nfs/dbraw/zinc/22/52/79/1069225279.db2.gz VBWBCNMWNZFDHA-SVBPBHIXSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575270 1069227042 /nfs/dbraw/zinc/22/70/42/1069227042.db2.gz ZSSXPULVUOIZDH-DNQXCXABSA-N 1 0 492.495 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849575078 1069227404 /nfs/dbraw/zinc/22/74/04/1069227404.db2.gz BLFYGCCPCZRMPC-FSSWDIPSSA-N 1 0 475.033 4.474 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577646 1069229691 /nfs/dbraw/zinc/22/96/91/1069229691.db2.gz IPYXSSLGYSXRHJ-GOTSBHOMSA-N 1 0 471.443 4.312 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849577996 1069229818 /nfs/dbraw/zinc/22/98/18/1069229818.db2.gz KEALODCZRVUFRM-DQEYMECFSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849577648 1069229847 /nfs/dbraw/zinc/22/98/47/1069229847.db2.gz IPYXSSLGYSXRHJ-XZOQPEGZSA-N 1 0 471.443 4.312 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001492575370 1069230218 /nfs/dbraw/zinc/23/02/18/1069230218.db2.gz NKISDVGEXVFTPA-XMMPIXPASA-N 1 0 494.728 4.331 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001492575369 1069230278 /nfs/dbraw/zinc/23/02/78/1069230278.db2.gz NKISDVGEXVFTPA-DEOSSOPVSA-N 1 0 494.728 4.331 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849579634 1069231847 /nfs/dbraw/zinc/23/18/47/1069231847.db2.gz XVZLERUDAACZMF-QZTJIDSGSA-N 1 0 498.263 4.075 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849584732 1069235537 /nfs/dbraw/zinc/23/55/37/1069235537.db2.gz ZONNGZHZERZWOT-LSTHTHJFSA-N 1 0 467.441 4.467 20 0 JIADRO CC(C)C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586220 1069236164 /nfs/dbraw/zinc/23/61/64/1069236164.db2.gz OJDWOHFVRQKSCR-XPNTWCBSSA-N 1 0 461.448 4.296 20 0 JIADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587392 1069237669 /nfs/dbraw/zinc/23/76/69/1069237669.db2.gz IDRYXRKDBKYBJK-OALUTQOASA-N 1 0 484.398 4.352 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849587564 1069240615 /nfs/dbraw/zinc/24/06/15/1069240615.db2.gz UJUXIEGBCWTCLI-CVEARBPZSA-N 1 0 460.447 4.493 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590441 1069241336 /nfs/dbraw/zinc/24/13/36/1069241336.db2.gz ZCFTXGRWISARAF-ROUUACIJSA-N 1 0 461.994 4.242 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590442 1069241446 /nfs/dbraw/zinc/24/14/46/1069241446.db2.gz ZCFTXGRWISARAF-ZWKOTPCHSA-N 1 0 461.994 4.242 20 0 JIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001354467141 1069241766 /nfs/dbraw/zinc/24/17/66/1069241766.db2.gz SXPHQWLQJPPVKA-IBGZPJMESA-N 1 0 453.384 4.229 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590860 1069243000 /nfs/dbraw/zinc/24/30/00/1069243000.db2.gz ANBWYZHTCCPCNM-GDIGMMSISA-N 1 0 451.384 4.013 20 0 JIADRO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849593509 1069244362 /nfs/dbraw/zinc/24/43/62/1069244362.db2.gz UJPZTPJDRHZAER-SXOMAYOGSA-N 1 0 492.620 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849595499 1069246309 /nfs/dbraw/zinc/24/63/09/1069246309.db2.gz XXWXXSLPOJVUBJ-NHCUHLMSSA-N 1 0 467.614 4.022 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)s3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849595166 1069247128 /nfs/dbraw/zinc/24/71/28/1069247128.db2.gz ZWGRKYVKFXGTLW-ZWKOTPCHSA-N 1 0 479.488 4.296 20 0 JIADRO Cc1cc(C(C)(C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000849595105 1069247168 /nfs/dbraw/zinc/24/71/68/1069247168.db2.gz IOBPDBVGLJYKHL-VQTJNVASSA-N 1 0 461.448 4.356 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596313 1069247622 /nfs/dbraw/zinc/24/76/22/1069247622.db2.gz OAYUZXYZJCWDST-OCYFJXFZSA-N 1 0 478.559 4.241 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849594598 1069247653 /nfs/dbraw/zinc/24/76/53/1069247653.db2.gz FJEDAKRAWFNNMX-XZOQPEGZSA-N 1 0 458.050 4.015 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596309 1069247847 /nfs/dbraw/zinc/24/78/47/1069247847.db2.gz OAYUZXYZJCWDST-DZWOVHDNSA-N 1 0 478.559 4.241 20 0 JIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849597514 1069251824 /nfs/dbraw/zinc/25/18/24/1069251824.db2.gz TXXFKBOKYYERER-PFBJBMPXSA-N 1 0 460.622 4.343 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001300625273 1069256083 /nfs/dbraw/zinc/25/60/83/1069256083.db2.gz WWQTWUAFMVGKPX-PMACEKPBSA-N 1 0 459.034 4.333 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849604443 1069261763 /nfs/dbraw/zinc/26/17/63/1069261763.db2.gz XGINUJQZISGKAN-AEFFLSMTSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606259 1069262251 /nfs/dbraw/zinc/26/22/51/1069262251.db2.gz NMRGWTAGVLZWQZ-DLBZAZTESA-N 1 0 489.443 4.154 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849606656 1069263355 /nfs/dbraw/zinc/26/33/55/1069263355.db2.gz QMUDJXQSNWISAY-LUQKVYGDSA-N 1 0 465.495 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849605749 1069263692 /nfs/dbraw/zinc/26/36/92/1069263692.db2.gz JMFHADRROXAEOI-DNQXCXABSA-N 1 0 458.597 4.384 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849610546 1069266625 /nfs/dbraw/zinc/26/66/25/1069266625.db2.gz KOMMQCDGGDBALJ-IRXDYDNUSA-N 1 0 456.475 4.404 20 0 JIADRO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849608984 1069266669 /nfs/dbraw/zinc/26/66/69/1069266669.db2.gz RIPBTJXYRGTZBS-UZKOGDIHSA-N 1 0 459.034 4.432 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849608947 1069267047 /nfs/dbraw/zinc/26/70/47/1069267047.db2.gz RCMQREMSYJKIPK-RBUKOAKNSA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@@H](c2cnn(C)c2)C1 ZINC000849612037 1069273213 /nfs/dbraw/zinc/27/32/13/1069273213.db2.gz FLVMSZSNPNCRMQ-DOTOQJQBSA-N 1 0 478.544 4.410 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612652 1069275290 /nfs/dbraw/zinc/27/52/90/1069275290.db2.gz MPXGSUUVRGPWNW-RTBURBONSA-N 1 0 459.497 4.129 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300630073 1069275729 /nfs/dbraw/zinc/27/57/29/1069275729.db2.gz DXQYFTGMKHENIW-LJQANCHMSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300632355 1069282743 /nfs/dbraw/zinc/28/27/43/1069282743.db2.gz XZZIOVBMFQHELU-FQEVSTJZSA-N 1 0 453.587 4.216 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164389740 718824891 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/nfs/dbraw/zinc/01/06/29/719010629.db2.gz VSUXAWLOHBIMFO-HRFSGMKKSA-N 1 0 499.725 4.299 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164617387 719010982 /nfs/dbraw/zinc/01/09/82/719010982.db2.gz NUWNQAPYFREGOU-IFXJQAMLSA-N 1 0 481.893 4.448 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164614533 719011192 /nfs/dbraw/zinc/01/11/92/719011192.db2.gz FVXHKHDYOHSJHS-HYBUGGRVSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164619332 719011251 /nfs/dbraw/zinc/01/12/51/719011251.db2.gz VRJZDECVSAJNFR-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164613994 719019643 /nfs/dbraw/zinc/01/96/43/719019643.db2.gz BHIICELOVABLFF-NVGVWMPQSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC2)CC1 ZINC001164617817 719026825 /nfs/dbraw/zinc/02/68/25/719026825.db2.gz PODRUQFCLRQBHE-UHFFFAOYSA-N 1 0 488.991 4.370 20 0 JIADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2n1C1CCCC1 ZINC001164621092 719079025 /nfs/dbraw/zinc/07/90/25/719079025.db2.gz HAVJNTRHCLAAOZ-BWKNWUBXSA-N 1 0 472.637 4.349 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625959 719122748 /nfs/dbraw/zinc/12/27/48/719122748.db2.gz ZSDBXKCCCMKPLH-ZIFCJYIRSA-N 1 0 457.663 4.315 20 0 JIADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164630620 719140492 /nfs/dbraw/zinc/14/04/92/719140492.db2.gz KAHADXDQVNUGGS-RUZDIDTESA-N 1 0 462.638 4.154 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649188 719296423 /nfs/dbraw/zinc/29/64/23/719296423.db2.gz HGFVPYXZJOPVTR-YWEHKCAJSA-N 1 0 473.596 4.223 20 0 JIADRO CC(C)CN1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001164657384 719336800 /nfs/dbraw/zinc/33/68/00/719336800.db2.gz JSEGCMFWNQWRII-UHFFFAOYSA-N 1 0 469.029 4.175 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164683488 719612706 /nfs/dbraw/zinc/61/27/06/719612706.db2.gz JGJWOCIVSBJBLX-UHFFFAOYSA-N 1 0 460.557 4.116 20 0 JIADRO Cc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164685254 719653342 /nfs/dbraw/zinc/65/33/42/719653342.db2.gz YQINWTJJHGXFRI-UHFFFAOYSA-N 1 0 460.960 4.385 20 0 JIADRO Cc1nc2ccsc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680054 719655499 /nfs/dbraw/zinc/65/54/99/719655499.db2.gz DAGVASHHYMLEGO-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 ZINC001164680397 719660666 /nfs/dbraw/zinc/66/06/66/719660666.db2.gz GGGNWFCQRNMEDP-QHCPKHFHSA-N 1 0 469.633 4.237 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@@H](F)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164684187 719668131 /nfs/dbraw/zinc/66/81/31/719668131.db2.gz SLIXLTJNVNKALW-YADARESESA-N 1 0 459.009 4.292 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ccc(F)cc4n3)CC2)c2ccccc21 ZINC001164683063 719678440 /nfs/dbraw/zinc/67/84/40/719678440.db2.gz QROQXOVOKWYYFX-NRFANRHFSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c2ccccc21 ZINC001164680424 719679407 /nfs/dbraw/zinc/67/94/07/719679407.db2.gz DVTRYYGHQSLNOT-QFIPXVFZSA-N 1 0 487.623 4.376 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c5c([nH]c43)CCC5)CC2)c2ccccc21 ZINC001164681951 719681778 /nfs/dbraw/zinc/68/17/78/719681778.db2.gz ASGRORLRIFTRIU-FQEVSTJZSA-N 1 0 471.649 4.145 20 0 JIADRO CSCc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164685668 719681823 /nfs/dbraw/zinc/68/18/23/719681823.db2.gz LOHQOHINPLPSRL-OAQYLSRUSA-N 1 0 452.668 4.038 20 0 JIADRO COc1cc2ccnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2cc1F ZINC001164686580 719683247 /nfs/dbraw/zinc/68/32/47/719683247.db2.gz OVSVUSHPSQTESD-OAQYLSRUSA-N 1 0 490.623 4.476 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)CC2 ZINC001164690230 719742899 /nfs/dbraw/zinc/74/28/99/719742899.db2.gz WBCRPFXVXWHZEJ-UHFFFAOYSA-N 1 0 467.664 4.089 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164689885 719747686 /nfs/dbraw/zinc/74/76/86/719747686.db2.gz NQKHCXDRHXNCDO-UHFFFAOYSA-N 1 0 467.683 4.409 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)NCc2ccccc2)CC3)cs1 ZINC001164693377 719804956 /nfs/dbraw/zinc/80/49/56/719804956.db2.gz SKTBEQUMUNUULW-UHFFFAOYSA-N 1 0 461.635 4.412 20 0 JIADRO Cn1cnc2c1cc(C1CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC1)nc2-c1cccnc1 ZINC001164699068 719881548 /nfs/dbraw/zinc/88/15/48/719881548.db2.gz GUTHLQMVOSNSBD-UHFFFAOYSA-N 1 0 453.594 4.404 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164698359 719893471 /nfs/dbraw/zinc/89/34/71/719893471.db2.gz SABVMQHYXYVITQ-UHFFFAOYSA-N 1 0 463.047 4.150 20 0 JIADRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2ccc(Cl)nc2)n1 ZINC001164707074 719903421 /nfs/dbraw/zinc/90/34/21/719903421.db2.gz MZUJIFFZTDEBCT-UHFFFAOYSA-N 1 0 456.015 4.433 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164711086 720098947 /nfs/dbraw/zinc/09/89/47/720098947.db2.gz NWWWXUUVMFLKAM-XMMPIXPASA-N 1 0 477.653 4.047 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164711079 720100019 /nfs/dbraw/zinc/10/00/19/720100019.db2.gz NWUXNESAMWBTLQ-GOSISDBHSA-N 1 0 455.653 4.316 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164716950 720111732 /nfs/dbraw/zinc/11/17/32/720111732.db2.gz MDLOLYQRYGQQHG-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)CC2 ZINC001164719463 720120143 /nfs/dbraw/zinc/12/01/43/720120143.db2.gz XIDASZSFKVMBIA-LJQANCHMSA-N 1 0 498.027 4.203 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(OC)nc31)CC2 ZINC001164715510 720122206 /nfs/dbraw/zinc/12/22/06/720122206.db2.gz GRZVYCIQBXEXEY-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164712196 720139976 /nfs/dbraw/zinc/13/99/76/720139976.db2.gz KWCXHGXCMZLPMK-RUZDIDTESA-N 1 0 497.643 4.187 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164711240 720147267 /nfs/dbraw/zinc/14/72/67/720147267.db2.gz GJNXHNUKYBHJDD-JOCHJYFZSA-N 1 0 463.557 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164713047 720147867 /nfs/dbraw/zinc/14/78/67/720147867.db2.gz PNEQNHKOEFKWOA-IBGZPJMESA-N 1 0 453.537 4.470 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164710792 720152842 /nfs/dbraw/zinc/15/28/42/720152842.db2.gz CSENXEHRFRCCFZ-NRFANRHFSA-N 1 0 462.594 4.155 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819146 720168088 /nfs/dbraw/zinc/16/80/88/720168088.db2.gz WGSAFQHJMQKUQF-RBJSKKJNSA-N 1 0 459.638 4.281 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819509 720170178 /nfs/dbraw/zinc/17/01/78/720170178.db2.gz XPAPONGHJQPAFB-CJFMBICVSA-N 1 0 455.002 4.172 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818516 720170640 /nfs/dbraw/zinc/17/06/40/720170640.db2.gz SYYQMTWWNMCGRA-QFQXNSOFSA-N 1 0 471.715 4.335 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CCC2 ZINC001164812585 720220327 /nfs/dbraw/zinc/22/03/27/720220327.db2.gz GQCIKGRBLRRDPN-UHFFFAOYSA-N 1 0 481.604 4.013 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CCC2 ZINC001164813860 720241958 /nfs/dbraw/zinc/24/19/58/720241958.db2.gz QKMJUYXZSXGTJE-UHFFFAOYSA-N 1 0 493.055 4.483 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164826646 720307146 /nfs/dbraw/zinc/30/71/46/720307146.db2.gz WCCZQGITHRCGNG-YADHBBJMSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001164825809 720315389 /nfs/dbraw/zinc/31/53/89/720315389.db2.gz TYDLEIRZJPTVBV-RPBOFIJWSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164831984 720330343 /nfs/dbraw/zinc/33/03/43/720330343.db2.gz SPJRDEHKAKMHEV-NHCUHLMSSA-N 1 0 462.972 4.345 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001164829201 720339104 /nfs/dbraw/zinc/33/91/04/720339104.db2.gz QWEJKOXQRBIAEH-UXHICEINSA-N 1 0 499.750 4.345 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831268 720345259 /nfs/dbraw/zinc/34/52/59/720345259.db2.gz YQYWPEQQSHXLQS-UIOOFZCWSA-N 1 0 485.632 4.217 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001164824241 720345677 /nfs/dbraw/zinc/34/56/77/720345677.db2.gz HRSQCCMDIYMUHK-UIOOFZCWSA-N 1 0 455.606 4.208 20 0 JIADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1 ZINC001164735929 720440779 /nfs/dbraw/zinc/44/07/79/720440779.db2.gz ZOKVAPQARXKRDF-RTWAWAEBSA-N 1 0 454.603 4.490 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834646 720524000 /nfs/dbraw/zinc/52/40/00/720524000.db2.gz GVTOZZIWEKMUHG-WRALFONMSA-N 1 0 492.071 4.220 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835030 720530631 /nfs/dbraw/zinc/53/06/31/720530631.db2.gz GTRPFQOBQKIALT-PLMTUMEDSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC[C@@H]21 ZINC001164835029 720530675 /nfs/dbraw/zinc/53/06/75/720530675.db2.gz GTRPFQOBQKIALT-MMOPVJDHSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164836778 720540144 /nfs/dbraw/zinc/54/01/44/720540144.db2.gz KXADTHAVVKNILJ-RCLSDMTESA-N 1 0 450.656 4.390 20 0 JIADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164732917 720557693 /nfs/dbraw/zinc/55/76/93/720557693.db2.gz FKGXFGOTVDMNCA-UHFFFAOYSA-N 1 0 460.532 4.430 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1Cl ZINC001164736742 720590990 /nfs/dbraw/zinc/59/09/90/720590990.db2.gz SGRMIPDJSOIRGG-UHFFFAOYSA-N 1 0 461.372 4.445 20 0 JIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164838267 720593487 /nfs/dbraw/zinc/59/34/87/720593487.db2.gz KNWAKXSJCPNGET-BFLUCZKCSA-N 1 0 473.621 4.418 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838741 720615390 /nfs/dbraw/zinc/61/53/90/720615390.db2.gz LKKLTSTWSKOCRN-LLGFUMIMSA-N 1 0 490.986 4.411 20 0 JIADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164836206 720635854 /nfs/dbraw/zinc/63/58/54/720635854.db2.gz FHWDEOIHJVDPLP-CLCZQPDDSA-N 1 0 474.653 4.267 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839275 720639313 /nfs/dbraw/zinc/63/93/13/720639313.db2.gz NBXOPJNMQGNNOI-OWCLPIDISA-N 1 0 460.356 4.387 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164839928 720667035 /nfs/dbraw/zinc/66/70/35/720667035.db2.gz KYUDJGFICWZVHD-DEOSSOPVSA-N 1 0 462.638 4.404 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845373 720691841 /nfs/dbraw/zinc/69/18/41/720691841.db2.gz YXSXNFAIQZDDAZ-HXUWFJFHSA-N 1 0 480.996 4.330 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842703 720692332 /nfs/dbraw/zinc/69/23/32/720692332.db2.gz MUTWIBNZFNJYQY-JOCHJYFZSA-N 1 0 491.636 4.238 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ncn3Cc1ccccc1F)CC2 ZINC001164841208 720699568 /nfs/dbraw/zinc/69/95/68/720699568.db2.gz IHYDEFQNLUUYBO-HSZRJFAPSA-N 1 0 486.595 4.274 20 0 JIADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838876 720705768 /nfs/dbraw/zinc/70/57/68/720705768.db2.gz JLDCZSUYZHSLND-YVSHKSEASA-N 1 0 460.578 4.009 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164840296 720717254 /nfs/dbraw/zinc/71/72/54/720717254.db2.gz ORTULFCKYOZQNU-FDDCHVKYSA-N 1 0 484.950 4.195 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164838997 720721643 /nfs/dbraw/zinc/72/16/43/720721643.db2.gz JZEYMVBUAOBJPN-MHZLTWQESA-N 1 0 498.675 4.063 20 0 JIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739385 720837992 /nfs/dbraw/zinc/83/79/92/720837992.db2.gz ADGXCOBXJJXKOI-CNNODRBYSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749903 720851990 /nfs/dbraw/zinc/85/19/90/720851990.db2.gz OMPNGTUBBSAFBU-UNWVZKJWSA-N 1 0 499.997 4.313 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748137 720854232 /nfs/dbraw/zinc/85/42/32/720854232.db2.gz KKLITVKSESZKEQ-XKCSPQBFSA-N 1 0 499.997 4.313 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@@H]2C1 ZINC001164853502 720856059 /nfs/dbraw/zinc/85/60/59/720856059.db2.gz GVHOGRASFALCQI-PKTZIBPZSA-N 1 0 480.012 4.033 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164743871 720858141 /nfs/dbraw/zinc/85/81/41/720858141.db2.gz AQORTAVCENJVJE-FBBABVLZSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164859668 720861565 /nfs/dbraw/zinc/86/15/65/720861565.db2.gz VEJUOQMMNGOETL-DVECYGJZSA-N 1 0 483.012 4.132 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164861548 720862023 /nfs/dbraw/zinc/86/20/23/720862023.db2.gz XXSOLPXLHPKDSK-MBSDFSHPSA-N 1 0 470.976 4.263 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853034 720862212 /nfs/dbraw/zinc/86/22/12/720862212.db2.gz GFBACQKKIBHNON-XXBNENTESA-N 1 0 452.986 4.124 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164852003 720862647 /nfs/dbraw/zinc/86/26/47/720862647.db2.gz BOGYQDJMJOIVSU-CVDCTZTESA-N 1 0 452.986 4.124 20 0 JIADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747818 720870327 /nfs/dbraw/zinc/87/03/27/720870327.db2.gz BVNLQZGSOKXQCM-GGAORHGYSA-N 1 0 462.972 4.430 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC[C@@H]2C1 ZINC001164853814 720873929 /nfs/dbraw/zinc/87/39/29/720873929.db2.gz CWXUSUKUJQGIJY-XLIONFOSSA-N 1 0 459.015 4.185 20 0 JIADRO Clc1ccnc2c1ccnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747259 720876686 /nfs/dbraw/zinc/87/66/86/720876686.db2.gz AYJCGKZUBTUZKC-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO c1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164755514 720877219 /nfs/dbraw/zinc/87/72/19/720877219.db2.gz YCNGFIAYNSBXAN-NAKRPHOHSA-N 1 0 455.606 4.294 20 0 JIADRO c1ccc(Oc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754561 720878083 /nfs/dbraw/zinc/87/80/83/720878083.db2.gz SAWBGYDYHFUANM-UFHPHHKVSA-N 1 0 471.605 4.419 20 0 JIADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748063 720878492 /nfs/dbraw/zinc/87/84/92/720878492.db2.gz DPQWLQVPGVBBNT-HFZDXXHNSA-N 1 0 468.045 4.159 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164857596 720881964 /nfs/dbraw/zinc/88/19/64/720881964.db2.gz KASKSPXAKCAHJD-IRLDBZIGSA-N 1 0 464.635 4.409 20 0 JIADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164757880 720889056 /nfs/dbraw/zinc/88/90/56/720889056.db2.gz WAOISSOUYGBXHM-RBJSKKJNSA-N 1 0 478.637 4.187 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756263 720889127 /nfs/dbraw/zinc/88/91/27/720889127.db2.gz OYDHPFIWPDKJKJ-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO CCc1c(Cl)nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1CC ZINC001164751713 720891175 /nfs/dbraw/zinc/89/11/75/720891175.db2.gz DCSSHJYHQCBLNT-QFQXNSOFSA-N 1 0 470.061 4.405 20 0 JIADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755123 720891675 /nfs/dbraw/zinc/89/16/75/720891675.db2.gz KXUFSLZLLRXKTD-GJZUVCINSA-N 1 0 485.028 4.062 20 0 JIADRO Clc1ccc2c(cnnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750923 720892297 /nfs/dbraw/zinc/89/22/97/720892297.db2.gz CGSWORYYIFLNLA-GJZUVCINSA-N 1 0 464.013 4.433 20 0 JIADRO COc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2n1 ZINC001164754411 720893533 /nfs/dbraw/zinc/89/35/33/720893533.db2.gz IUUZPLUWENDVEO-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750757 720894292 /nfs/dbraw/zinc/89/42/92/720894292.db2.gz BSXIESIQPVSQKL-CUNXSJBXSA-N 1 0 499.055 4.370 20 0 JIADRO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750745 720894578 /nfs/dbraw/zinc/89/45/78/720894578.db2.gz BSJXASRWAKUSID-SQJMNOBHSA-N 1 0 457.018 4.284 20 0 JIADRO CC(C)COc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756276 720902535 /nfs/dbraw/zinc/90/25/35/720902535.db2.gz PAFRFGRPMYOBPI-RPLLCQBOSA-N 1 0 450.627 4.267 20 0 JIADRO CSc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755244 720904947 /nfs/dbraw/zinc/90/49/47/720904947.db2.gz ZXMJJGDIVBXMEM-XXBNENTESA-N 1 0 460.047 4.002 20 0 JIADRO CSc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749155 720906934 /nfs/dbraw/zinc/90/69/34/720906934.db2.gz HZWKHEGETWGZDH-WMZHIEFXSA-N 1 0 460.047 4.002 20 0 JIADRO COc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164750715 720911080 /nfs/dbraw/zinc/91/10/80/720911080.db2.gz KDOFMIAVNIHLCX-IRPSRAIASA-N 1 0 485.632 4.302 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164755048 720922854 /nfs/dbraw/zinc/92/28/54/720922854.db2.gz XZIFKGKOUDXVLH-LITSAYRRSA-N 1 0 484.648 4.306 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748461 720934066 /nfs/dbraw/zinc/93/40/66/720934066.db2.gz GEQOWLFOAFUQLA-NAKRPHOHSA-N 1 0 477.653 4.196 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746487 720934492 /nfs/dbraw/zinc/93/44/92/720934492.db2.gz AYQPWWIOJCEZNO-NTKDMRAZSA-N 1 0 476.452 4.496 20 0 JIADRO 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ZINC001164964704 722055878 /nfs/dbraw/zinc/05/58/78/722055878.db2.gz WZJYPRMXJLXJBM-UHFFFAOYSA-N 1 0 452.986 4.411 20 0 JIADRO Cc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2cc1C ZINC001164962495 722057944 /nfs/dbraw/zinc/05/79/44/722057944.db2.gz DYGABMUFUXHQPB-UHFFFAOYSA-N 1 0 452.002 4.414 20 0 JIADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962534 722058223 /nfs/dbraw/zinc/05/82/23/722058223.db2.gz TXBHFEUQNYQSKF-UHFFFAOYSA-N 1 0 489.954 4.222 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164963300 722060437 /nfs/dbraw/zinc/06/04/37/722060437.db2.gz WCEXSZXHGSNIQL-UHFFFAOYSA-N 1 0 467.976 4.450 20 0 JIADRO Clc1ncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Oc2ccccc2)n1 ZINC001164966703 722061743 /nfs/dbraw/zinc/06/17/43/722061743.db2.gz WWOILJMFQMUIGK-UHFFFAOYSA-N 1 0 465.985 4.436 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164977377 722114307 /nfs/dbraw/zinc/11/43/07/722114307.db2.gz MTAZDFIJTQXXQM-UZLBHIALSA-N 1 0 477.918 4.090 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164981549 722143301 /nfs/dbraw/zinc/14/33/01/722143301.db2.gz PGFWIHUMBWGVAC-XMSQKQJNSA-N 1 0 469.948 4.184 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164976304 722154853 /nfs/dbraw/zinc/15/48/53/722154853.db2.gz WNNVMZGKMBTRTR-REWPJTCUSA-N 1 0 465.985 4.353 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CCC2 ZINC001165001538 722255938 /nfs/dbraw/zinc/25/59/38/722255938.db2.gz BFHJAKRGGNUUTG-UHFFFAOYSA-N 1 0 468.763 4.272 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CCC2 ZINC001165004414 722257454 /nfs/dbraw/zinc/25/74/54/722257454.db2.gz RKBJVMIAQCKPCO-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO CCOC(=O)c1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]c1C ZINC001354544990 1069319239 /nfs/dbraw/zinc/31/92/39/1069319239.db2.gz DPULMBDHSZHENN-SFHVURJKSA-N 1 0 451.489 4.026 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300646184 1069319596 /nfs/dbraw/zinc/31/95/96/1069319596.db2.gz FLXUUHLOXXABIS-AMGIVPHBSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@@H]1C ZINC001492592911 1069323955 /nfs/dbraw/zinc/32/39/55/1069323955.db2.gz WUSPJRQPMQTEAQ-JTHBVZDNSA-N 1 0 498.672 4.016 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@](C)(O)C(C)C ZINC001300650503 1069332332 /nfs/dbraw/zinc/33/23/32/1069332332.db2.gz YOVJHQYBAGERBN-SXDGJLEOSA-N 1 0 499.700 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300651172 1069334860 /nfs/dbraw/zinc/33/48/60/1069334860.db2.gz SUQMFQGNAZOIMZ-UXHICEINSA-N 1 0 453.587 4.388 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(SC)CCC1 ZINC001300651972 1069338738 /nfs/dbraw/zinc/33/87/38/1069338738.db2.gz HZESQYLJTOYUGJ-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCS1 ZINC001300654359 1069345311 /nfs/dbraw/zinc/34/53/11/1069345311.db2.gz XYKJOVJOKVKEDB-HXUWFJFHSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300659895 1069366138 /nfs/dbraw/zinc/36/61/38/1069366138.db2.gz IVKBFOOKBUFCEG-XUVXKRRUSA-N 1 0 461.676 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300662076 1069376790 /nfs/dbraw/zinc/37/67/90/1069376790.db2.gz ZQMWZKSONRUEHV-VQTJNVASSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[NH+]1CCCCCC1 ZINC001300667926 1069392658 /nfs/dbraw/zinc/39/26/58/1069392658.db2.gz HUMMDKFITXMBAD-UHFFFAOYSA-N 1 0 497.713 4.442 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001300670697 1069403435 /nfs/dbraw/zinc/40/34/35/1069403435.db2.gz VOOXADONPQXECZ-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359347095 1069418863 /nfs/dbraw/zinc/41/88/63/1069418863.db2.gz DQUYLIXAAFLSTB-PGPKDTDWSA-N 1 0 466.655 4.320 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359347097 1069419059 /nfs/dbraw/zinc/41/90/59/1069419059.db2.gz DQUYLIXAAFLSTB-SLTDHEAWSA-N 1 0 466.655 4.320 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001359347285 1069419804 /nfs/dbraw/zinc/41/98/04/1069419804.db2.gz IAXHDYOMMQYTHM-RCUDSALRSA-N 1 0 465.642 4.120 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001359349139 1069425164 /nfs/dbraw/zinc/42/51/64/1069425164.db2.gz RHUCAOWRDDTVPH-HKWRFOASSA-N 1 0 480.682 4.284 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001300676639 1069425573 /nfs/dbraw/zinc/42/55/73/1069425573.db2.gz HPZQMDNYZDNTFW-SFTDATJTSA-N 1 0 473.687 4.051 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359351981 1069435157 /nfs/dbraw/zinc/43/51/57/1069435157.db2.gz FVPVNRVSSSGAJU-QHCPKHFHSA-N 1 0 466.674 4.069 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001359354192 1069438499 /nfs/dbraw/zinc/43/84/99/1069438499.db2.gz CMUMHEOZDCSUEV-UHFFFAOYSA-N 1 0 480.701 4.346 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359354321 1069439211 /nfs/dbraw/zinc/43/92/11/1069439211.db2.gz JHFAKJRJKUQRQE-VWLOTQADSA-N 1 0 496.700 4.041 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353930 1069437854 /nfs/dbraw/zinc/43/78/54/1069437854.db2.gz SXCUKWIBGCVQMN-RCZVLFRGSA-N 1 0 480.701 4.224 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)O ZINC001300680905 1069445819 /nfs/dbraw/zinc/44/58/19/1069445819.db2.gz ZLYNXIXVSLOPKH-OAQYLSRUSA-N 1 0 487.714 4.298 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359356214 1069443062 /nfs/dbraw/zinc/44/30/62/1069443062.db2.gz IHTCRYWTMHBFRK-OAQYLSRUSA-N 1 0 473.065 4.169 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359357761 1069448376 /nfs/dbraw/zinc/44/83/76/1069448376.db2.gz NIVWXLYMQQMQAT-JOCHJYFZSA-N 1 0 466.674 4.033 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001359358046 1069449179 /nfs/dbraw/zinc/44/91/79/1069449179.db2.gz SLEUORUHUMZCBD-FUHWJXTLSA-N 1 0 479.456 4.041 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001359361469 1069452585 /nfs/dbraw/zinc/45/25/85/1069452585.db2.gz CVJDNXDBPIHREG-UKILVPOCSA-N 1 0 480.701 4.137 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359374461 1069479822 /nfs/dbraw/zinc/47/98/22/1069479822.db2.gz CZODNIMTOYSXFR-SFTDATJTSA-N 1 0 487.092 4.415 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@@H]2C)CC1 ZINC001359380471 1069485069 /nfs/dbraw/zinc/48/50/69/1069485069.db2.gz MNICDTFTMJSDRN-JTHBVZDNSA-N 1 0 472.722 4.072 20 0 JIADRO CC(C)=CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001359380617 1069485583 /nfs/dbraw/zinc/48/55/83/1069485583.db2.gz PHZKFCQQLMQGEO-RDPSFJRHSA-N 1 0 485.076 4.334 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359382882 1069487544 /nfs/dbraw/zinc/48/75/44/1069487544.db2.gz PCUGUVPKMUVBJT-JTHBVZDNSA-N 1 0 496.700 4.356 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001359382880 1069487697 /nfs/dbraw/zinc/48/76/97/1069487697.db2.gz PCUGUVPKMUVBJT-GGAORHGYSA-N 1 0 496.700 4.356 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC001359384794 1069490488 /nfs/dbraw/zinc/49/04/88/1069490488.db2.gz JBHUKILSLHLWHW-FQEVSTJZSA-N 1 0 466.630 4.257 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC001359385126 1069491505 /nfs/dbraw/zinc/49/15/05/1069491505.db2.gz RLXJZAYWHLSYCJ-NJYVYQBISA-N 1 0 487.092 4.414 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001359385950 1069493587 /nfs/dbraw/zinc/49/35/87/1069493587.db2.gz PPAIIOGYECBPTB-ZWKOTPCHSA-N 1 0 491.055 4.305 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC001359387457 1069496847 /nfs/dbraw/zinc/49/68/47/1069496847.db2.gz HBYRLIFGQATEFG-NJDAHSKKSA-N 1 0 487.092 4.414 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)[C@H](C)C1 ZINC001359396803 1069502077 /nfs/dbraw/zinc/50/20/77/1069502077.db2.gz LZXVCNCOFSFUMU-XXBNENTESA-N 1 0 498.722 4.300 20 0 JIADRO CC(=O)Nc1ccc(CCn2c(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001359404767 1069510066 /nfs/dbraw/zinc/51/00/66/1069510066.db2.gz YKMRUXQMNPLHFT-LJQANCHMSA-N 1 0 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CC(C)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359646971 1070197194 /nfs/dbraw/zinc/19/71/94/1070197194.db2.gz LIQXLGWVWLWOSP-HXUWFJFHSA-N 1 0 476.065 4.351 20 0 JIADRO CC(C)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359646970 1070197449 /nfs/dbraw/zinc/19/74/49/1070197449.db2.gz LIQXLGWVWLWOSP-FQEVSTJZSA-N 1 0 476.065 4.351 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359654938 1070221860 /nfs/dbraw/zinc/22/18/60/1070221860.db2.gz LZLDSSWFSODRRS-HHHXNRCGSA-N 1 0 471.690 4.482 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359656066 1070231705 /nfs/dbraw/zinc/23/17/05/1070231705.db2.gz IYNCWLXGFINTQV-GHTZIAJQSA-N 1 0 472.703 4.287 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001359656476 1070235357 /nfs/dbraw/zinc/23/53/57/1070235357.db2.gz QFMZYEUQCRRRHD-PMACEKPBSA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359656462 1070235436 /nfs/dbraw/zinc/23/54/36/1070235436.db2.gz PZCJOHAGRXWTSG-WMZHIEFXSA-N 1 0 497.713 4.025 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359657585 1070247221 /nfs/dbraw/zinc/24/72/21/1070247221.db2.gz KDSRLVVLNUHNQC-YADARESESA-N 1 0 484.664 4.050 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1)[NH+]1CCOCC1 ZINC001359658583 1070258529 /nfs/dbraw/zinc/25/85/29/1070258529.db2.gz FBPLMJFIPQWKLX-OAQYLSRUSA-N 1 0 463.573 4.140 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001359658678 1070257636 /nfs/dbraw/zinc/25/76/36/1070257636.db2.gz GWTJGTXHBOLHDK-FQEVSTJZSA-N 1 0 484.998 4.245 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001359658659 1070257731 /nfs/dbraw/zinc/25/77/31/1070257731.db2.gz GMBRJRMXVYESBC-UZLBHIALSA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001359658814 1070260580 /nfs/dbraw/zinc/26/05/80/1070260580.db2.gz JIJUYKNJOJBJRC-FQEVSTJZSA-N 1 0 464.079 4.287 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001359659383 1070265364 /nfs/dbraw/zinc/26/53/64/1070265364.db2.gz VUKVGDRMMMFYPM-UZLBHIALSA-N 1 0 479.456 4.039 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC001359659454 1070266366 /nfs/dbraw/zinc/26/63/66/1070266366.db2.gz WUPFWXLDGUAFJE-JXFKEZNVSA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC001359660749 1070273912 /nfs/dbraw/zinc/27/39/12/1070273912.db2.gz WQCVAHAXZGIKKW-OAQYLSRUSA-N 1 0 476.547 4.285 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001359660720 1070274022 /nfs/dbraw/zinc/27/40/22/1070274022.db2.gz VZGWXGJYDLZMGS-VQTJNVASSA-N 1 0 466.552 4.008 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCCC1 ZINC001359663012 1070286236 /nfs/dbraw/zinc/28/62/36/1070286236.db2.gz JLRPKOONCGYYRT-FQEVSTJZSA-N 1 0 492.018 4.291 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC001359664515 1070292276 /nfs/dbraw/zinc/29/22/76/1070292276.db2.gz HIDCTVAWQDSLQB-OAQYLSRUSA-N 1 0 488.702 4.154 20 0 JIADRO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001359664145 1070290849 /nfs/dbraw/zinc/29/08/49/1070290849.db2.gz ABQOFCBSAAIBEG-XMMPIXPASA-N 1 0 496.700 4.145 20 0 JIADRO CC(C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCC1 ZINC001359665536 1070296172 /nfs/dbraw/zinc/29/61/72/1070296172.db2.gz BJFVCVKZZHRCMC-GHTZIAJQSA-N 1 0 491.105 4.011 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCC(O)(c3c(F)cccc3F)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666083 1070300242 /nfs/dbraw/zinc/30/02/42/1070300242.db2.gz MMZYHMSSYKKBIR-OAQYLSRUSA-N 1 0 475.628 4.462 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666722 1070303156 /nfs/dbraw/zinc/30/31/56/1070303156.db2.gz ZMHAXIMSDBNNHR-HSZRJFAPSA-N 1 0 472.722 4.315 20 0 JIADRO CC(C)c1nc([C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001359671297 1070315526 /nfs/dbraw/zinc/31/55/26/1070315526.db2.gz OCYRHCGSRGDFDP-NHCUHLMSSA-N 1 0 473.666 4.181 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC001359673603 1070322886 /nfs/dbraw/zinc/32/28/86/1070322886.db2.gz HRTIOQLEVFKSSU-NRFANRHFSA-N 1 0 470.625 4.410 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CCO2)o1 ZINC001359675349 1070328404 /nfs/dbraw/zinc/32/84/04/1070328404.db2.gz KDIHKBVCVFZKAT-UXHICEINSA-N 1 0 473.666 4.216 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CC(C)(C)C[NH+](C)C)CCO2)o1 ZINC001359675004 1070327117 /nfs/dbraw/zinc/32/71/17/1070327117.db2.gz CCCSTGHIGJGRCX-IBGZPJMESA-N 1 0 488.036 4.271 20 0 JIADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccccc1Br ZINC001359679145 1070333825 /nfs/dbraw/zinc/33/38/25/1070333825.db2.gz YTKNAHLTHRBRPK-UHFFFAOYSA-N 1 0 486.462 4.010 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359677547 1070332145 /nfs/dbraw/zinc/33/21/45/1070332145.db2.gz HEHPQOGDCRYQEX-QFIPXVFZSA-N 1 0 470.662 4.417 20 0 JIADRO CC(C)c1nnc(N(C)Cc2csc(Br)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359682507 1070338831 /nfs/dbraw/zinc/33/88/31/1070338831.db2.gz UEDCXDOCWKFCRX-UHFFFAOYSA-N 1 0 483.524 4.136 20 0 JIADRO CC(C)c1nnc(N(C)CCCc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001359684536 1070340057 /nfs/dbraw/zinc/34/00/57/1070340057.db2.gz HSXBZQMGFLFCOA-QHCPKHFHSA-N 1 0 461.658 4.076 20 0 JIADRO CC(C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359690763 1070347109 /nfs/dbraw/zinc/34/71/09/1070347109.db2.gz SAZXPAHFYIEKKD-FXAWDEMLSA-N 1 0 451.537 4.202 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359691229 1070347879 /nfs/dbraw/zinc/34/78/79/1070347879.db2.gz GHBSKSMHHCVEMR-XXBNENTESA-N 1 0 472.653 4.221 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359691128 1070347916 /nfs/dbraw/zinc/34/79/16/1070347916.db2.gz CBBRSWDTEPHLBX-GHTZIAJQSA-N 1 0 460.692 4.143 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359697270 1070357395 /nfs/dbraw/zinc/35/73/95/1070357395.db2.gz MXEIAFVFRAYYAE-OAQYLSRUSA-N 1 0 453.679 4.434 20 0 JIADRO CC(C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001359697559 1070358125 /nfs/dbraw/zinc/35/81/25/1070358125.db2.gz WYDNVORMAWGLAB-FQEVSTJZSA-N 1 0 450.672 4.261 20 0 JIADRO CC(C)c1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359696633 1070355313 /nfs/dbraw/zinc/35/53/13/1070355313.db2.gz SEYFTYFRBPBXAU-OAQYLSRUSA-N 1 0 458.695 4.331 20 0 JIADRO CC(C)c1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359700876 1070364777 /nfs/dbraw/zinc/36/47/77/1070364777.db2.gz BINDBKHGOPJEKH-JOCHJYFZSA-N 1 0 469.674 4.312 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359699440 1070361955 /nfs/dbraw/zinc/36/19/55/1070361955.db2.gz GHMUNDAAIDLEEA-OAQYLSRUSA-N 1 0 467.662 4.457 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359707432 1070374688 /nfs/dbraw/zinc/37/46/88/1070374688.db2.gz SRVZLPVFLOLQRT-UGKGYDQZSA-N 1 0 472.653 4.222 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359706509 1070372800 /nfs/dbraw/zinc/37/28/00/1070372800.db2.gz BKDMNFHIZYCKTM-RBUKOAKNSA-N 1 0 494.610 4.413 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359706916 1070373406 /nfs/dbraw/zinc/37/34/06/1070373406.db2.gz JHCOEZXKGUYNAW-OAQYLSRUSA-N 1 0 474.694 4.359 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCOCC(F)(F)C(F)F ZINC001359707568 1070375366 /nfs/dbraw/zinc/37/53/66/1070375366.db2.gz WJHJUHPRSIXRMV-SFHVURJKSA-N 1 0 463.564 4.411 20 0 JIADRO COc1ccc(CCn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC001315461391 1064276135 /nfs/dbraw/zinc/27/61/35/1064276135.db2.gz JYDOMABZNHITSE-FQEVSTJZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(CCn2c(CC3CC3)nnc2N2CCC([NH2+]C(C)C)CC2)c(Cl)c1OC ZINC001315463862 1064284033 /nfs/dbraw/zinc/28/40/33/1064284033.db2.gz DVUKQWYQWUWBIT-UHFFFAOYSA-N 1 0 462.038 4.111 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c(OC)c1 ZINC001315467680 1064300688 /nfs/dbraw/zinc/30/06/88/1064300688.db2.gz DYACIBQHPCZTRM-NRFANRHFSA-N 1 0 455.647 4.191 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1F ZINC001315475877 1064325139 /nfs/dbraw/zinc/32/51/39/1064325139.db2.gz OYNGLDXDSIXAFB-HXUWFJFHSA-N 1 0 459.610 4.221 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)cc1O ZINC001315476203 1064326652 /nfs/dbraw/zinc/32/66/52/1064326652.db2.gz SPIPFBDPDVNXFA-HXUWFJFHSA-N 1 0 453.587 4.257 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+](C(C)C)C(C)C)CC2=O)cc1 ZINC001315506847 1064425969 /nfs/dbraw/zinc/42/59/69/1064425969.db2.gz JQKSWAHTQNGLHK-UHFFFAOYSA-N 1 0 498.716 4.332 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315510881 1064444513 /nfs/dbraw/zinc/44/45/13/1064444513.db2.gz DUEDXEQVGOUCSQ-IBGZPJMESA-N 1 0 487.048 4.083 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315511964 1064449282 /nfs/dbraw/zinc/44/92/82/1064449282.db2.gz NYRKZDAJFWUGIM-SFHVURJKSA-N 1 0 491.080 4.225 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C[C@@H]2O ZINC001315527966 1064505869 /nfs/dbraw/zinc/50/58/69/1064505869.db2.gz WUIMATFWKBHLBL-DYXWJJEUSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC001315527877 1064505944 /nfs/dbraw/zinc/50/59/44/1064505944.db2.gz VTVIMZARMMQJGV-PMACEKPBSA-N 1 0 455.647 4.399 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(C)CCCS2)cc1 ZINC001315530889 1064515015 /nfs/dbraw/zinc/51/50/15/1064515015.db2.gz OEWFDJMEMRJRCQ-DEOSSOPVSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001315531128 1064515730 /nfs/dbraw/zinc/51/57/30/1064515730.db2.gz SDEKSYMTJGGEMG-FCHUYYIVSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315531979 1064518027 /nfs/dbraw/zinc/51/80/27/1064518027.db2.gz CDRHGQIASUMCRK-UHFFFAOYSA-N 1 0 485.032 4.065 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315532053 1064518588 /nfs/dbraw/zinc/51/85/88/1064518588.db2.gz VBRWPDIYZYUFEZ-UHFFFAOYSA-N 1 0 463.573 4.366 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001315534396 1064523844 /nfs/dbraw/zinc/52/38/44/1064523844.db2.gz JLEZVJZGTRUMPF-SFHVURJKSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCCCn2c(-c3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315537138 1064529813 /nfs/dbraw/zinc/52/98/13/1064529813.db2.gz MSEGAIPAWVFXHT-UHFFFAOYSA-N 1 0 464.614 4.128 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)[NH+](C)C)c1 ZINC001315546237 1064553196 /nfs/dbraw/zinc/55/31/96/1064553196.db2.gz GNGQTQWENGWNLW-GIWBLDEGSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315546454 1064553826 /nfs/dbraw/zinc/55/38/26/1064553826.db2.gz IAPRHONASATWCQ-SIKLNZKXSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCSC)CC2)c1 ZINC001315546715 1064555055 /nfs/dbraw/zinc/55/50/55/1064555055.db2.gz XWFARCICKKQSLX-FQEVSTJZSA-N 1 0 466.655 4.293 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCN([C@H](C)c4nccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548417 1064560119 /nfs/dbraw/zinc/56/01/19/1064560119.db2.gz IMABXUXVBVCPQG-DENIHFKCSA-N 1 0 497.713 4.227 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C)C2)[NH+](C)C)c1 ZINC001315549531 1064564346 /nfs/dbraw/zinc/56/43/46/1064564346.db2.gz RSNINVWOLGOHPI-TWHAJKEOSA-N 1 0 487.714 4.450 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)CC2COC(C)(C)OC2)[NH+](C)C)c1 ZINC001315550519 1064566607 /nfs/dbraw/zinc/56/66/07/1064566607.db2.gz WCYDOCWLMJFQMO-QHCPKHFHSA-N 1 0 499.681 4.077 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315550610 1064567451 /nfs/dbraw/zinc/56/74/51/1064567451.db2.gz YALZBVUFYBDXSN-SIKLNZKXSA-N 1 0 453.587 4.101 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315552177 1064568862 /nfs/dbraw/zinc/56/88/62/1064568862.db2.gz OYEZFCRRLQHHJG-OYRHEFFESA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315552492 1064569676 /nfs/dbraw/zinc/56/96/76/1064569676.db2.gz QTCGXOXRLBWNJJ-IBGZPJMESA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001315552894 1064569719 /nfs/dbraw/zinc/56/97/19/1064569719.db2.gz VGEKVYZQLBHOPF-GOSISDBHSA-N 1 0 454.625 4.411 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315556751 1064576255 /nfs/dbraw/zinc/57/62/55/1064576255.db2.gz PNOBIRQLQOCFHG-JOCHJYFZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315557967 1064579180 /nfs/dbraw/zinc/57/91/80/1064579180.db2.gz YEPSUYBXNGHYJT-OYRHEFFESA-N 1 0 477.657 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315558127 1064580366 /nfs/dbraw/zinc/58/03/66/1064580366.db2.gz WBPDDGHKQYDCJW-WOJBJXKFSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001315558408 1064580687 /nfs/dbraw/zinc/58/06/87/1064580687.db2.gz VJGXHBPVHLPCCZ-UHFFFAOYSA-N 1 0 455.647 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001315559172 1064583707 /nfs/dbraw/zinc/58/37/07/1064583707.db2.gz OSYSDGPNOSXMTF-SANMLTNESA-N 1 0 455.647 4.252 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001315559170 1064583820 /nfs/dbraw/zinc/58/38/20/1064583820.db2.gz OSYSDGPNOSXMTF-AREMUKBSSA-N 1 0 455.647 4.252 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315559602 1064584221 /nfs/dbraw/zinc/58/42/21/1064584221.db2.gz CTAKQBWAJBERSB-LADGPHEKSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCOCC(F)F)c1 ZINC001315561243 1064586503 /nfs/dbraw/zinc/58/65/03/1064586503.db2.gz UALZZITWWHOJJG-PMACEKPBSA-N 1 0 477.600 4.326 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(F)(F)Br)c1 ZINC001315562105 1064588644 /nfs/dbraw/zinc/58/86/44/1064588644.db2.gz BBDMIJCYZHICIV-UHFFFAOYSA-N 1 0 484.389 4.396 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001315562422 1064589070 /nfs/dbraw/zinc/58/90/70/1064589070.db2.gz FYEWWPMVGORIMF-SFTDATJTSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001315562848 1064590037 /nfs/dbraw/zinc/59/00/37/1064590037.db2.gz ICLGXHWYAGBWSH-IBGZPJMESA-N 1 0 494.606 4.291 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315563180 1064590662 /nfs/dbraw/zinc/59/06/62/1064590662.db2.gz LVYPEPOPGCMLOG-PKTZIBPZSA-N 1 0 496.700 4.015 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001315564473 1064593884 /nfs/dbraw/zinc/59/38/84/1064593884.db2.gz LOLDGDRAZWXCMN-QFIPXVFZSA-N 1 0 496.681 4.013 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC[C@H](F)C2)c1 ZINC001315565927 1064597418 /nfs/dbraw/zinc/59/74/18/1064597418.db2.gz FPKBKVJFHVPNEC-ICSRJNTNSA-N 1 0 499.553 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001315566935 1064599437 /nfs/dbraw/zinc/59/94/37/1064599437.db2.gz SNQZLFMVEATGDW-NRFANRHFSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315567930 1064601746 /nfs/dbraw/zinc/60/17/46/1064601746.db2.gz VNIHNINQMAPASH-FXAWDEMLSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001315568693 1064604454 /nfs/dbraw/zinc/60/44/54/1064604454.db2.gz ADIIRSUNXUXKPH-OYDLWJJNSA-N 1 0 496.700 4.114 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001315570480 1064612279 /nfs/dbraw/zinc/61/22/79/1064612279.db2.gz OZJIMKDUHYTBRP-NOZRDPDXSA-N 1 0 485.673 4.268 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315570828 1064614362 /nfs/dbraw/zinc/61/43/62/1064614362.db2.gz LKRKHDKZGOVSGL-JTAQYXEDSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315570837 1064614441 /nfs/dbraw/zinc/61/44/41/1064614441.db2.gz LKRKHDKZGOVSGL-ZRCGQRJVSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315572166 1064619099 /nfs/dbraw/zinc/61/90/99/1064619099.db2.gz SJKBCTJSXQQQSQ-YKSBVNFPSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001315573162 1064622565 /nfs/dbraw/zinc/62/25/65/1064622565.db2.gz XBSLLPUNKBNFLK-KNQAVFIVSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315573889 1064626288 /nfs/dbraw/zinc/62/62/88/1064626288.db2.gz BCZKQQPUIXATIH-NFQMXDRXSA-N 1 0 491.640 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001315574132 1064627394 /nfs/dbraw/zinc/62/73/94/1064627394.db2.gz RCQFWDUPBUHLPE-NRFANRHFSA-N 1 0 493.574 4.422 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315582480 1064650357 /nfs/dbraw/zinc/65/03/57/1064650357.db2.gz AXSPWKZOAVCMIU-FQEVSTJZSA-N 1 0 458.626 4.140 20 0 JIADRO COc1cccc(OCCN2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC001315590090 1064676635 /nfs/dbraw/zinc/67/66/35/1064676635.db2.gz JTGHBPFKPUWHEW-HSZRJFAPSA-N 1 0 498.716 4.050 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315592221 1064684246 /nfs/dbraw/zinc/68/42/46/1064684246.db2.gz UCAJGTADWHIMPU-PZJWPPBQSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC[NH+]1CCCCC1 ZINC001315592987 1064685809 /nfs/dbraw/zinc/68/58/09/1064685809.db2.gz WYISPZVGBOCRNC-UHFFFAOYSA-N 1 0 491.562 4.218 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315593754 1064689094 /nfs/dbraw/zinc/68/90/94/1064689094.db2.gz MIJLNYQHLLYECQ-NJYVYQBISA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCCSC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315594627 1064691635 /nfs/dbraw/zinc/69/16/35/1064691635.db2.gz JZRYEGLFAJXTGR-RTBURBONSA-N 1 0 461.676 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315601161 1064709671 /nfs/dbraw/zinc/70/96/71/1064709671.db2.gz WCEXZNGMGDUUNN-JOCHJYFZSA-N 1 0 485.673 4.094 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315601123 1064709736 /nfs/dbraw/zinc/70/97/36/1064709736.db2.gz VEVAGHSDUQNLEI-PIKZIKFNSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OCCC(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001315601177 1064709784 /nfs/dbraw/zinc/70/97/84/1064709784.db2.gz JXAUMZOGCATRMJ-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCCNC(=O)C(C)C ZINC001315603542 1064715279 /nfs/dbraw/zinc/71/52/79/1064715279.db2.gz HCHCYKFBNGGXRV-XZOQPEGZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315604698 1064717702 /nfs/dbraw/zinc/71/77/02/1064717702.db2.gz PIGFUNUNFVDTIA-NHCUHLMSSA-N 1 0 481.645 4.081 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001315604816 1064717908 /nfs/dbraw/zinc/71/79/08/1064717908.db2.gz MEKUUUQCUBJRLK-LJQANCHMSA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315606459 1064722763 /nfs/dbraw/zinc/72/27/63/1064722763.db2.gz FYJGVBHKIVDGPG-IBGZPJMESA-N 1 0 482.595 4.145 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCOC(C)C ZINC001315606522 1064722884 /nfs/dbraw/zinc/72/28/84/1064722884.db2.gz IJMHYRMHUJJQOV-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315607393 1064724418 /nfs/dbraw/zinc/72/44/18/1064724418.db2.gz AVBOZGJSRBNBEB-WOJBJXKFSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001315607109 1064724536 /nfs/dbraw/zinc/72/45/36/1064724536.db2.gz NNVBZEMXKVGZMD-FQEVSTJZSA-N 1 0 498.672 4.131 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315607392 1064724749 /nfs/dbraw/zinc/72/47/49/1064724749.db2.gz AVBOZGJSRBNBEB-PMACEKPBSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315612446 1064733823 /nfs/dbraw/zinc/73/38/23/1064733823.db2.gz YAUIXBIOEIKSCB-UXHICEINSA-N 1 0 482.654 4.131 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612495 1064733920 /nfs/dbraw/zinc/73/39/20/1064733920.db2.gz IULMKUUDPCGMBC-LEWJYISDSA-N 1 0 450.631 4.262 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001315612943 1064735492 /nfs/dbraw/zinc/73/54/92/1064735492.db2.gz LNVFNKVCPCEDKM-BHIFYINESA-N 1 0 455.647 4.151 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315615508 1064741170 /nfs/dbraw/zinc/74/11/70/1064741170.db2.gz HWYDEBGJGZQSBU-GGAORHGYSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cscn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315616593 1064744380 /nfs/dbraw/zinc/74/43/80/1064744380.db2.gz BQQMGMNUCFFGBT-UHFFFAOYSA-N 1 0 454.644 4.092 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315617213 1064746332 /nfs/dbraw/zinc/74/63/32/1064746332.db2.gz WXJDHAYOKZWHIF-WOJBJXKFSA-N 1 0 457.663 4.248 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001315618230 1064749134 /nfs/dbraw/zinc/74/91/34/1064749134.db2.gz VAVUTGWHVOBXMP-SQXWHWBNSA-N 1 0 457.663 4.223 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315619203 1064751366 /nfs/dbraw/zinc/75/13/66/1064751366.db2.gz UPSGHDCJCQBAFT-FQEVSTJZSA-N 1 0 486.064 4.021 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315620165 1064753679 /nfs/dbraw/zinc/75/36/79/1064753679.db2.gz HDMQYDFZLXFHAJ-LXFBAYGMSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCc1sccc1C ZINC001315624195 1064762951 /nfs/dbraw/zinc/76/29/51/1064762951.db2.gz FJNMCGUOGCJYFA-UHFFFAOYSA-N 1 0 453.656 4.411 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCCC1 ZINC001315624452 1064764062 /nfs/dbraw/zinc/76/40/62/1064764062.db2.gz HLVZAOZWNCFTSY-LJQANCHMSA-N 1 0 451.537 4.142 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1(OC)CCC(C)CC1 ZINC001315625294 1064766472 /nfs/dbraw/zinc/76/64/72/1064766472.db2.gz JJNLABHFNGHKOB-UHFFFAOYSA-N 1 0 469.674 4.440 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCCCCC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001315626150 1064769039 /nfs/dbraw/zinc/76/90/39/1064769039.db2.gz BECPLVWFLXLRAZ-QHCPKHFHSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](OC)C(C)C ZINC001315627289 1064772655 /nfs/dbraw/zinc/77/26/55/1064772655.db2.gz KGFQXWXGJAXVJL-ZEQKJWHPSA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cnc(C)s1 ZINC001315628987 1064776589 /nfs/dbraw/zinc/77/65/89/1064776589.db2.gz DKQQBIGCKDUHSE-UHFFFAOYSA-N 1 0 468.671 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[C@H]1CCCCO1 ZINC001315628933 1064776721 /nfs/dbraw/zinc/77/67/21/1064776721.db2.gz BMGNJDJVKJEKIK-HSZRJFAPSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1nc(C(C)C)cs1 ZINC001315630143 1064778957 /nfs/dbraw/zinc/77/89/57/1064778957.db2.gz WYSKFQJTMICJJR-UHFFFAOYSA-N 1 0 454.644 4.036 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315631710 1064783048 /nfs/dbraw/zinc/78/30/48/1064783048.db2.gz NTNMFESOKLHJLF-ZEVJAHDQSA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315632088 1064784287 /nfs/dbraw/zinc/78/42/87/1064784287.db2.gz AECXGFLAWAUXDS-DFHRPNOPSA-N 1 0 476.669 4.462 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C[NH+](C)C ZINC001315635442 1064791511 /nfs/dbraw/zinc/79/15/11/1064791511.db2.gz UMXJDUBXRQBMMY-UHFFFAOYSA-N 1 0 457.022 4.269 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315642421 1064807070 /nfs/dbraw/zinc/80/70/70/1064807070.db2.gz DKRDJQZRYMDLIL-HSZRJFAPSA-N 1 0 482.717 4.274 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(C)cs2)n1CC[N@H+]1CC=CCC1 ZINC001315649014 1064825596 /nfs/dbraw/zinc/82/55/96/1064825596.db2.gz XGQPTNGRRZJHLQ-UHFFFAOYSA-N 1 0 453.612 4.134 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001315651164 1064831273 /nfs/dbraw/zinc/83/12/73/1064831273.db2.gz TZGHJIAGIUSAJS-PKTZIBPZSA-N 1 0 499.700 4.139 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315652391 1064835467 /nfs/dbraw/zinc/83/54/67/1064835467.db2.gz RGZVDMYMMSAKOF-WIYYLYMNSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1c(C)noc1C ZINC001315658537 1064852509 /nfs/dbraw/zinc/85/25/09/1064852509.db2.gz PADPYYJNOWESJO-UHFFFAOYSA-N 1 0 482.629 4.024 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315661845 1064862544 /nfs/dbraw/zinc/86/25/44/1064862544.db2.gz KRGPMSOGXBMWTP-UXHICEINSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001315663341 1064869308 /nfs/dbraw/zinc/86/93/08/1064869308.db2.gz IDMKRFQQNDJLDL-FPOVZHCZSA-N 1 0 473.687 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315665499 1064879276 /nfs/dbraw/zinc/87/92/76/1064879276.db2.gz QHZITBVWLVDAOH-JQVVWYNYSA-N 1 0 485.654 4.336 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@](C)(O)C(C)C ZINC001315666731 1064883879 /nfs/dbraw/zinc/88/38/79/1064883879.db2.gz VCJJPZFNTWZEJA-FNZWTVRRSA-N 1 0 487.714 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315666931 1064885311 /nfs/dbraw/zinc/88/53/11/1064885311.db2.gz AROVCPFUSGOQED-RBUKOAKNSA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001315667838 1064889569 /nfs/dbraw/zinc/88/95/69/1064889569.db2.gz OZKDKBJMWNQGAO-HXUWFJFHSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ncccc1Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315674119 1064907465 /nfs/dbraw/zinc/90/74/65/1064907465.db2.gz IYUXLJVKKLWWIH-UHFFFAOYSA-N 1 0 466.655 4.109 20 0 JIADRO COC1CCC(CCn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)CC1 ZINC001315679898 1064921685 /nfs/dbraw/zinc/92/16/85/1064921685.db2.gz RIPCJFJOUWMGNG-FULISQOKSA-N 1 0 485.721 4.424 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315684744 1064934003 /nfs/dbraw/zinc/93/40/03/1064934003.db2.gz CHUUGQMGBDHQPQ-VQIMIIECSA-N 1 0 479.467 4.161 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685568 1064936093 /nfs/dbraw/zinc/93/60/93/1064936093.db2.gz JGBAYSGWHUNWEK-YCRNBWNJSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685565 1064936191 /nfs/dbraw/zinc/93/61/91/1064936191.db2.gz JGBAYSGWHUNWEK-DNVFCKCGSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315690779 1064946841 /nfs/dbraw/zinc/94/68/41/1064946841.db2.gz GUWVIUOWZBOIAR-PMACEKPBSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001315692351 1064950153 /nfs/dbraw/zinc/95/01/53/1064950153.db2.gz MWYATHPUTWCCNG-VWPQPMDRSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315693742 1064952368 /nfs/dbraw/zinc/95/23/68/1064952368.db2.gz RKAUMJZSERDZLX-VQTJNVASSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315694384 1064954146 /nfs/dbraw/zinc/95/41/46/1064954146.db2.gz SLJFEJZAUFIFOV-GHTZIAJQSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315698711 1064961779 /nfs/dbraw/zinc/96/17/79/1064961779.db2.gz XPYXGJAJXAIFBF-LPHOPBHVSA-N 1 0 492.393 4.358 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315701862 1064965578 /nfs/dbraw/zinc/96/55/78/1064965578.db2.gz CYNFVMGYVYVEMK-DHIUTWEWSA-N 1 0 455.647 4.354 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001315704292 1064969555 /nfs/dbraw/zinc/96/95/55/1064969555.db2.gz NFLADYCAPMFISG-MRXNPFEDSA-N 1 0 468.067 4.023 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001315704474 1064971145 /nfs/dbraw/zinc/97/11/45/1064971145.db2.gz JPUKXZJGRPACKC-MUUNZHRXSA-N 1 0 499.700 4.450 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Br)cc3)nnc2N2CCCC2)CC1 ZINC001315704986 1064973072 /nfs/dbraw/zinc/97/30/72/1064973072.db2.gz MLPFFEUUDSZZGN-UHFFFAOYSA-N 1 0 492.462 4.109 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001315705746 1064975552 /nfs/dbraw/zinc/97/55/52/1064975552.db2.gz SUYNZJFGZXIYDR-UHFFFAOYSA-N 1 0 472.584 4.088 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001315705846 1064976251 /nfs/dbraw/zinc/97/62/51/1064976251.db2.gz VLFNKFYXLCIXRP-UHFFFAOYSA-N 1 0 499.059 4.398 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315706941 1064979331 /nfs/dbraw/zinc/97/93/31/1064979331.db2.gz GFVCZMCXAQMPJM-LEWJYISDSA-N 1 0 494.105 4.196 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCC(F)F)CC1 ZINC001315706982 1064980238 /nfs/dbraw/zinc/98/02/38/1064980238.db2.gz ZVLUBHNPIRMFON-UHFFFAOYSA-N 1 0 474.600 4.262 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N(C)CCc3nccs3)CCCC2)CC1 ZINC001315707982 1064982510 /nfs/dbraw/zinc/98/25/10/1064982510.db2.gz BHRBXLYGVDJWSH-UHFFFAOYSA-N 1 0 460.692 4.036 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CSc4ccc(C)cc4)nnc3N(C)OC)CCCC2)CC1 ZINC001315710895 1064987298 /nfs/dbraw/zinc/98/72/98/1064987298.db2.gz ZYPQNONKYVZCTD-UHFFFAOYSA-N 1 0 459.660 4.300 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C[NH+](C)C)CC[C@@H]1C ZINC001315711415 1064988666 /nfs/dbraw/zinc/98/86/66/1064988666.db2.gz CSXIXCPAZUWPSW-QFBILLFUSA-N 1 0 464.452 4.157 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+](C(C)C)C(C)C)CC[C@@H]1C ZINC001315712204 1064992271 /nfs/dbraw/zinc/99/22/71/1064992271.db2.gz JQFZENUKNRKWOI-GHTZIAJQSA-N 1 0 495.510 4.416 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001315712708 1064995439 /nfs/dbraw/zinc/99/54/39/1064995439.db2.gz MAJZLCNMIYMFLK-DKZVUGQWSA-N 1 0 494.503 4.006 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001315714483 1065002669 /nfs/dbraw/zinc/00/26/69/1065002669.db2.gz BQYWEUDIZCIHNF-YLJYHZDGSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001315714867 1065003711 /nfs/dbraw/zinc/00/37/11/1065003711.db2.gz QVDHNQOOCRCCHY-XQBPLPMBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001315715907 1065005356 /nfs/dbraw/zinc/00/53/56/1065005356.db2.gz MBYUFDHICUYCHB-KKSFZXQISA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C2CC2)[NH+](C)C)CC[C@@H]1C ZINC001315719081 1065013347 /nfs/dbraw/zinc/01/33/47/1065013347.db2.gz ZOHXNMSBGXPLOS-YCYVKTGYSA-N 1 0 455.647 4.236 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H](c2ccco2)[NH+](C)C)CC[C@H]1C ZINC001315720852 1065016217 /nfs/dbraw/zinc/01/62/17/1065016217.db2.gz VEMPHADSUWJAQO-LKUPVBHCSA-N 1 0 488.430 4.465 20 0 JIADRO CO[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)CC1(C)C ZINC001315724950 1065020848 /nfs/dbraw/zinc/02/08/48/1065020848.db2.gz KOVVKMHFVTWQLV-NRFANRHFSA-N 1 0 461.695 4.011 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315728691 1065025253 /nfs/dbraw/zinc/02/52/53/1065025253.db2.gz LDIHIOLOVUKHBR-SFTDATJTSA-N 1 0 457.619 4.234 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[C@@H]1C ZINC001315730270 1065027346 /nfs/dbraw/zinc/02/73/46/1065027346.db2.gz SMPACBMUUWRLFA-YZUZCNPQSA-N 1 0 462.642 4.255 20 0 JIADRO 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20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001316215578 1065926240 /nfs/dbraw/zinc/92/62/40/1065926240.db2.gz QGKWAJNLRKIIDN-UFYCRDLUSA-N 1 0 475.600 4.149 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001316217780 1065929964 /nfs/dbraw/zinc/92/99/64/1065929964.db2.gz VRIVRWHPUVTDHT-UXHICEINSA-N 1 0 471.637 4.386 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316232968 1065960929 /nfs/dbraw/zinc/96/09/29/1065960929.db2.gz FPJDBEAYIXZSMA-HXUWFJFHSA-N 1 0 492.064 4.113 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001316233684 1065963224 /nfs/dbraw/zinc/96/32/24/1065963224.db2.gz PYGGBEKGKWUIJY-QFIPXVFZSA-N 1 0 462.038 4.106 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001316234871 1065965114 /nfs/dbraw/zinc/96/51/14/1065965114.db2.gz JJIDIFDBNWJNSW-XMMPIXPASA-N 1 0 469.674 4.074 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316235253 1065966727 /nfs/dbraw/zinc/96/67/27/1065966727.db2.gz UGVKVNQOQRSQEE-LJQANCHMSA-N 1 0 462.038 4.105 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316244959 1065986629 /nfs/dbraw/zinc/98/66/29/1065986629.db2.gz KLMVVXHLNYXYGG-NZQKXSOJSA-N 1 0 476.065 4.351 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001316250001 1065992273 /nfs/dbraw/zinc/99/22/73/1065992273.db2.gz RGIZBEWJJUQNNZ-AWRGLXIESA-N 1 0 487.664 4.006 20 0 JIADRO COCCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316255371 1066000655 /nfs/dbraw/zinc/00/06/55/1066000655.db2.gz GNOPQCNNQJWOPG-UHFFFAOYSA-N 1 0 462.038 4.106 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001316271066 1066016035 /nfs/dbraw/zinc/01/60/35/1066016035.db2.gz CRPCIAOOGDEATG-CFFRYYMNSA-N 1 0 471.577 4.235 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001316271067 1066016246 /nfs/dbraw/zinc/01/62/46/1066016246.db2.gz CRPCIAOOGDEATG-GPFNJZLUSA-N 1 0 471.577 4.235 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316273860 1066022530 /nfs/dbraw/zinc/02/25/30/1066022530.db2.gz FBIMLVHZZUKSKB-VCOUNFBDSA-N 1 0 462.038 4.024 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316274180 1066023548 /nfs/dbraw/zinc/02/35/48/1066023548.db2.gz OGSFVPAGDUQSGE-UNMCSNQZSA-N 1 0 459.610 4.042 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C)s2)n1CCC[NH+]1CCC(C)CC1 ZINC001316274869 1066025715 /nfs/dbraw/zinc/02/57/15/1066025715.db2.gz SJYIXYFVKQGLCL-UNMCSNQZSA-N 1 0 461.676 4.130 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316280774 1066034978 /nfs/dbraw/zinc/03/49/78/1066034978.db2.gz HCWSQOALUSWLHD-ANQNUPMTSA-N 1 0 461.695 4.385 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316282547 1066037641 /nfs/dbraw/zinc/03/76/41/1066037641.db2.gz RHMCALZLEBNYMN-FBPBVXOASA-N 1 0 459.679 4.305 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001316285411 1066042001 /nfs/dbraw/zinc/04/20/01/1066042001.db2.gz BSYQIZFEYDKCBL-MSYCTHLASA-N 1 0 492.064 4.090 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1ccc(SC)cc1 ZINC001316289383 1066048295 /nfs/dbraw/zinc/04/82/95/1066048295.db2.gz OAVXRGOHAJZXBO-GMAHTHKFSA-N 1 0 487.714 4.277 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCC[N@H+](C)C(C)C ZINC001316292468 1066053837 /nfs/dbraw/zinc/05/38/37/1066053837.db2.gz PPYNDUVVAHBSMG-PMVMPFDFSA-N 1 0 459.610 4.213 20 0 JIADRO CON(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001316305590 1066066113 /nfs/dbraw/zinc/06/61/13/1066066113.db2.gz HCSMQXCUAXZXJY-UHFFFAOYSA-N 1 0 475.366 4.156 20 0 JIADRO CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001316311566 1066067437 /nfs/dbraw/zinc/06/74/37/1066067437.db2.gz VGZRQVPRKYLBAV-NRFANRHFSA-N 1 0 476.666 4.187 20 0 JIADRO CON(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316314321 1066070878 /nfs/dbraw/zinc/07/08/78/1066070878.db2.gz SQGHHOOEHSWDRY-ICSRJNTNSA-N 1 0 472.634 4.477 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316323073 1066078984 /nfs/dbraw/zinc/07/89/84/1066078984.db2.gz WEBJFARTPNXLLQ-WEMPKCCASA-N 1 0 492.064 4.184 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001316324265 1066080493 /nfs/dbraw/zinc/08/04/93/1066080493.db2.gz IYAMFUGFAGREPM-IBGZPJMESA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1OC ZINC001316330271 1066085904 /nfs/dbraw/zinc/08/59/04/1066085904.db2.gz HLZMZBUBXQSFRT-ZYOFANERSA-N 1 0 496.483 4.470 20 0 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CS[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001316388857 1066161256 /nfs/dbraw/zinc/16/12/56/1066161256.db2.gz NTIOSOXPUHGSTM-LJQANCHMSA-N 1 0 495.535 4.356 20 0 JIADRO CS[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001316388855 1066161275 /nfs/dbraw/zinc/16/12/75/1066161275.db2.gz NTIOSOXPUHGSTM-IBGZPJMESA-N 1 0 495.535 4.356 20 0 JIADRO CS[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001316389483 1066162004 /nfs/dbraw/zinc/16/20/04/1066162004.db2.gz YRLZABSQCBBNPZ-TYBLODHISA-N 1 0 497.713 4.170 20 0 JIADRO CS[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C ZINC001316392822 1066167561 /nfs/dbraw/zinc/16/75/61/1066167561.db2.gz QRSUQJIIMNBLID-OAQYLSRUSA-N 1 0 457.692 4.215 20 0 JIADRO CS[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC001316396515 1066173576 /nfs/dbraw/zinc/17/35/76/1066173576.db2.gz KIHPNQLSDOJRJK-DEOSSOPVSA-N 1 0 493.725 4.376 20 0 JIADRO 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CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316420437 1066224873 /nfs/dbraw/zinc/22/48/73/1066224873.db2.gz GPOBVUUVZQPMGY-OYRHEFFESA-N 1 0 488.721 4.381 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316420493 1066224948 /nfs/dbraw/zinc/22/49/48/1066224948.db2.gz TUGAGYKRGSATRB-IBGZPJMESA-N 1 0 451.644 4.214 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCC1 ZINC001316425804 1066243909 /nfs/dbraw/zinc/24/39/09/1066243909.db2.gz UEGIYPVOCMDBRQ-UHFFFAOYSA-N 1 0 450.656 4.497 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001492499326 1066246495 /nfs/dbraw/zinc/24/64/95/1066246495.db2.gz MGHRXTKBHXWNDA-HXUWFJFHSA-N 1 0 487.023 4.314 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001316427189 1066250025 /nfs/dbraw/zinc/25/00/25/1066250025.db2.gz MAVUQHUNRGVHPM-GHTZIAJQSA-N 1 0 474.078 4.357 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316427725 1066253148 /nfs/dbraw/zinc/25/31/48/1066253148.db2.gz UZFBFVSOTQDJBR-ACIOBRDBSA-N 1 0 457.688 4.415 20 0 JIADRO Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1N1CC[NH+](CCc3ccncc3)CC1)C2 ZINC001325639342 1066258597 /nfs/dbraw/zinc/25/85/97/1066258597.db2.gz CFBXZYGCYHGGHS-AREMUKBSSA-N 1 0 458.631 4.410 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCOCC2)C1 ZINC001316429639 1066261681 /nfs/dbraw/zinc/26/16/81/1066261681.db2.gz DWUXAGJCNPWIRV-QHCPKHFHSA-N 1 0 487.714 4.308 20 0 JIADRO O=C(COC(=O)CCc1nc2ccccc2s1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326024684 1066280955 /nfs/dbraw/zinc/28/09/55/1066280955.db2.gz PKZCDJVKFBWIGR-FQEVSTJZSA-N 1 0 472.010 4.379 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC[NH+]1CCCC1 ZINC001316435389 1066286111 /nfs/dbraw/zinc/28/61/11/1066286111.db2.gz BXFWNCPIAYVFDO-SFHVURJKSA-N 1 0 464.477 4.444 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316435753 1066287669 /nfs/dbraw/zinc/28/76/69/1066287669.db2.gz YZIRZADOUVUSNI-HKUYNNGSSA-N 1 0 495.535 4.498 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3csc(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001492500931 1066289871 /nfs/dbraw/zinc/28/98/71/1066289871.db2.gz XTLXSJOQNALTDE-GOSISDBHSA-N 1 0 475.460 4.449 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCSCC1 ZINC001316439761 1066296313 /nfs/dbraw/zinc/29/63/13/1066296313.db2.gz ZZBZTOLVTQHGAM-INIZCTEOSA-N 1 0 456.056 4.118 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316442403 1066304874 /nfs/dbraw/zinc/30/48/74/1066304874.db2.gz LCQDFRGNSZYKJT-NLWGTHIKSA-N 1 0 478.732 4.139 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001492502561 1066305170 /nfs/dbraw/zinc/30/51/70/1066305170.db2.gz ZZOYHLSSULOVAV-FQEVSTJZSA-N 1 0 487.574 4.248 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492503048 1066312139 /nfs/dbraw/zinc/31/21/39/1066312139.db2.gz SGYBUEALRILKIC-HXUWFJFHSA-N 1 0 453.660 4.152 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492503063 1066312692 /nfs/dbraw/zinc/31/26/92/1066312692.db2.gz SSPWGASMFKCODP-QFIPXVFZSA-N 1 0 461.639 4.477 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001316446758 1066318893 /nfs/dbraw/zinc/31/88/93/1066318893.db2.gz HSGJDKAKENIQBN-YADHBBJMSA-N 1 0 479.735 4.380 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316447569 1066321608 /nfs/dbraw/zinc/32/16/08/1066321608.db2.gz ZTJKEDNQYYIVBY-AQNXPRMDSA-N 1 0 460.692 4.114 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001316447576 1066321890 /nfs/dbraw/zinc/32/18/90/1066321890.db2.gz ZTJKEDNQYYIVBY-XUVXKRRUSA-N 1 0 460.692 4.114 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001316448653 1066324232 /nfs/dbraw/zinc/32/42/32/1066324232.db2.gz WWDBTYYGMDLUTH-OSPHWJPCSA-N 1 0 489.686 4.457 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492506880 1066329224 /nfs/dbraw/zinc/32/92/24/1066329224.db2.gz NDVZAKLLTNIQRL-QFIPXVFZSA-N 1 0 454.663 4.289 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001328859452 1066330875 /nfs/dbraw/zinc/33/08/75/1066330875.db2.gz ZXCVZWVRESKKFJ-IBGZPJMESA-N 1 0 473.499 4.031 20 0 JIADRO CSCCCCCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316456423 1066345528 /nfs/dbraw/zinc/34/55/28/1066345528.db2.gz VZIBSNYVCVOUAH-QFIPXVFZSA-N 1 0 471.715 4.400 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001316459709 1066352720 /nfs/dbraw/zinc/35/27/20/1066352720.db2.gz NLKAHOVVJGUNOJ-UHFFFAOYSA-N 1 0 458.676 4.211 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492514316 1066355338 /nfs/dbraw/zinc/35/53/38/1066355338.db2.gz QBUKNJWDGKEXRP-NRFANRHFSA-N 1 0 485.677 4.120 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC1([NH+](C)C)CCC1 ZINC001316466029 1066368029 /nfs/dbraw/zinc/36/80/29/1066368029.db2.gz OZCFFCHMSCNGLL-UHFFFAOYSA-N 1 0 458.495 4.443 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001492517390 1066372357 /nfs/dbraw/zinc/37/23/57/1066372357.db2.gz QYKPIGPDGZDIPS-OAQYLSRUSA-N 1 0 497.669 4.070 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccccc2Br)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001316469014 1066373664 /nfs/dbraw/zinc/37/36/64/1066373664.db2.gz LQCMZNZUCDLNNN-GOSISDBHSA-N 1 0 496.519 4.398 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001316470586 1066376468 /nfs/dbraw/zinc/37/64/68/1066376468.db2.gz LGMWCDIFRAXTCM-HXUWFJFHSA-N 1 0 480.723 4.068 20 0 JIADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854134 1066379560 /nfs/dbraw/zinc/37/95/60/1066379560.db2.gz VCCOZSSWCXTTAK-OFNKIYASSA-N 1 0 478.662 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001333167494 1066384895 /nfs/dbraw/zinc/38/48/95/1066384895.db2.gz MZZCSDQOGJJGJB-IRLDBZIGSA-N 1 0 481.000 4.173 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492520825 1066387360 /nfs/dbraw/zinc/38/73/60/1066387360.db2.gz WAIMLAGRMHLIOQ-SANMLTNESA-N 1 0 454.663 4.412 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)C2)c1 ZINC001492523944 1066396086 /nfs/dbraw/zinc/39/60/86/1066396086.db2.gz CCJBVJXFWUQBFY-RUZDIDTESA-N 1 0 466.718 4.443 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001316480989 1066396209 /nfs/dbraw/zinc/39/62/09/1066396209.db2.gz XWFKEGQLGULDRE-LZQZEXGQSA-N 1 0 490.471 4.279 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@H](C)[NH+](C)C)C2)c1 ZINC001492524316 1066398058 /nfs/dbraw/zinc/39/80/58/1066398058.db2.gz KSAZDGWTAOSILK-FUHWJXTLSA-N 1 0 457.420 4.288 20 0 JIADRO Cc1cccc([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@@H](C)[NH+](C)C)C2)c1 ZINC001492524315 1066398120 /nfs/dbraw/zinc/39/81/20/1066398120.db2.gz KSAZDGWTAOSILK-AEFFLSMTSA-N 1 0 457.420 4.288 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316487497 1066410770 /nfs/dbraw/zinc/41/07/70/1066410770.db2.gz OMDGDEORXQDAPC-WIYYLYMNSA-N 1 0 497.669 4.150 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316501434 1066461592 /nfs/dbraw/zinc/46/15/92/1066461592.db2.gz SEXWUJKPIKEUKJ-KGVIQGDOSA-N 1 0 472.559 4.433 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCCCO4)n3CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC001316505178 1066478198 /nfs/dbraw/zinc/47/81/98/1066478198.db2.gz UNDCILXGMIEFPW-WSTZPKSXSA-N 1 0 473.584 4.188 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(CCOc2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316505953 1066480928 /nfs/dbraw/zinc/48/09/28/1066480928.db2.gz AUPMIVYKECXYSU-NRFANRHFSA-N 1 0 455.647 4.168 20 0 JIADRO FC(F)(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316508969 1066490312 /nfs/dbraw/zinc/49/03/12/1066490312.db2.gz PJWVOAPUYFGQDF-UHFFFAOYSA-N 1 0 460.754 4.118 20 0 JIADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc(CC3CCCC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001316508968 1066490436 /nfs/dbraw/zinc/49/04/36/1066490436.db2.gz PISGNVDRHVIZOL-UHFFFAOYSA-N 1 0 497.528 4.444 20 0 JIADRO FC(F)(F)[C@H]1CN(c2nnc(CC3CCCC3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001316511644 1066497785 /nfs/dbraw/zinc/49/77/85/1066497785.db2.gz QXLKHXFPVCQWJE-HXUWFJFHSA-N 1 0 457.585 4.435 20 0 JIADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001337621225 1066499792 /nfs/dbraw/zinc/49/97/92/1066499792.db2.gz SWADBAMLMFZGSO-XMMPIXPASA-N 1 0 474.653 4.050 20 0 JIADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1=S ZINC001337614281 1066499909 /nfs/dbraw/zinc/49/99/09/1066499909.db2.gz OXJQYQUDVQZOAR-QFIPXVFZSA-N 1 0 498.697 4.193 20 0 JIADRO FC(F)(F)OCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001316515933 1066512004 /nfs/dbraw/zinc/51/20/04/1066512004.db2.gz RVTYVKWIEJHJCG-SFHVURJKSA-N 1 0 457.566 4.169 20 0 JIADRO Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)c12 ZINC001337848638 1066515679 /nfs/dbraw/zinc/51/56/79/1066515679.db2.gz NJBYLDPWNYFQIJ-UHFFFAOYSA-N 1 0 470.577 4.331 20 0 JIADRO FC(F)(F)SCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316516946 1066516083 /nfs/dbraw/zinc/51/60/83/1066516083.db2.gz IDYYFAJCNFNJGQ-ZWKOTPCHSA-N 1 0 461.598 4.475 20 0 JIADRO FC(F)Oc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC(F)(F)Br)c1 ZINC001316519258 1066522389 /nfs/dbraw/zinc/52/23/89/1066522389.db2.gz CGOUSTXXULIFGS-AWEZNQCLSA-N 1 0 492.315 4.209 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001337983286 1066523553 /nfs/dbraw/zinc/52/35/53/1066523553.db2.gz UDJUHQBELABKGU-KRWDZBQOSA-N 1 0 484.449 4.185 20 0 JIADRO O=C(c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001338090544 1066529708 /nfs/dbraw/zinc/52/97/08/1066529708.db2.gz XPEYGBOBLBRDLK-HNNXBMFYSA-N 1 0 452.908 4.344 20 0 JIADRO FC(F)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001316522843 1066531455 /nfs/dbraw/zinc/53/14/55/1066531455.db2.gz NEHBMSHNLKBIPQ-GOSISDBHSA-N 1 0 483.991 4.104 20 0 JIADRO FC(F)[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001316524011 1066534923 /nfs/dbraw/zinc/53/49/23/1066534923.db2.gz STENDUNLEXMXPJ-MRXNPFEDSA-N 1 0 484.389 4.197 20 0 JIADRO Fc1ccc(OCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCCC(F)(F)F)cc1 ZINC001316525307 1066538867 /nfs/dbraw/zinc/53/88/67/1066538867.db2.gz VCUSUBLJPKBUPX-SFHVURJKSA-N 1 0 455.500 4.403 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1 ZINC001338544071 1066563259 /nfs/dbraw/zinc/56/32/59/1066563259.db2.gz SYVBAHNJJMJZOE-UHFFFAOYSA-N 1 0 484.394 4.303 20 0 JIADRO CCCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C ZINC001475781030 1066571661 /nfs/dbraw/zinc/57/16/61/1066571661.db2.gz QBWGSZPPKSHYOF-UHFFFAOYSA-N 1 0 458.624 4.155 20 0 JIADRO O=C(Nc1ccccn1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316559561 1066576525 /nfs/dbraw/zinc/57/65/25/1066576525.db2.gz DBUSKHBDEDODCS-IBGZPJMESA-N 1 0 475.588 4.063 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)CC2)c1 ZINC001492534748 1066582864 /nfs/dbraw/zinc/58/28/64/1066582864.db2.gz MLHPURMYGSFCFA-UHFFFAOYSA-N 1 0 482.673 4.481 20 0 JIADRO Cc1cc(-c2cc(C(=O)OC[C@@H]3C[N@H+](CC(C)C)CCO3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001341820923 1066589838 /nfs/dbraw/zinc/58/98/38/1066589838.db2.gz KUSAAJVRUUEAJT-IBGZPJMESA-N 1 0 454.571 4.403 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492537237 1066593229 /nfs/dbraw/zinc/59/32/29/1066593229.db2.gz SLSPGUHHCYZECQ-URXFXBBRSA-N 1 0 479.673 4.389 20 0 JIADRO OCCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001316588192 1066615225 /nfs/dbraw/zinc/61/52/25/1066615225.db2.gz PMWKFBYSHJZJND-SFHVURJKSA-N 1 0 452.430 4.479 20 0 JIADRO OCCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316590450 1066619276 /nfs/dbraw/zinc/61/92/76/1066619276.db2.gz PWMKFCURFQFALX-NRFANRHFSA-N 1 0 476.065 4.090 20 0 JIADRO OCCCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316590171 1066619490 /nfs/dbraw/zinc/61/94/90/1066619490.db2.gz FPKXAFGVSYHULU-UHFFFAOYSA-N 1 0 482.069 4.308 20 0 JIADRO OCCCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316592056 1066623992 /nfs/dbraw/zinc/62/39/92/1066623992.db2.gz UMUQFEMKLIMSNM-LJQANCHMSA-N 1 0 482.119 4.014 20 0 JIADRO OCCCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316592054 1066624004 /nfs/dbraw/zinc/62/40/04/1066624004.db2.gz UMUQFEMKLIMSNM-IBGZPJMESA-N 1 0 482.119 4.014 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001346198813 1066656368 /nfs/dbraw/zinc/65/63/68/1066656368.db2.gz YGCQYPXVUUIZNN-MRXNPFEDSA-N 1 0 478.996 4.199 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[NH+](C)CC1 ZINC001317792366 1066691905 /nfs/dbraw/zinc/69/19/05/1066691905.db2.gz JLOVQQLOXUNDKZ-QFIPXVFZSA-N 1 0 475.420 4.297 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001317798658 1066695443 /nfs/dbraw/zinc/69/54/43/1066695443.db2.gz OMDOLUCFBWVVEB-KRWDZBQOSA-N 1 0 450.004 4.135 20 0 JIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1 ZINC001317798518 1066695558 /nfs/dbraw/zinc/69/55/58/1066695558.db2.gz VHQLEWXMGFUENJ-UHFFFAOYSA-N 1 0 477.649 4.231 20 0 JIADRO COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317822332 1066709953 /nfs/dbraw/zinc/70/99/53/1066709953.db2.gz PJZOMBFEOSLXNU-UHFFFAOYSA-N 1 0 491.613 4.295 20 0 JIADRO Cc1c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC001317828760 1066714127 /nfs/dbraw/zinc/71/41/27/1066714127.db2.gz UNKOPBAIQDSCIX-UHFFFAOYSA-N 1 0 457.372 4.273 20 0 JIADRO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317834875 1066720342 /nfs/dbraw/zinc/72/03/42/1066720342.db2.gz GDDIGFCDOBJVIL-VWLOTQADSA-N 1 0 465.619 4.377 20 0 JIADRO COc1ccc(C(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c2ccc(OC)cc2)cc1 ZINC001317868436 1066743356 /nfs/dbraw/zinc/74/33/56/1066743356.db2.gz RRKXBJOHWPGHFU-UHFFFAOYSA-N 1 0 469.651 4.454 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)c(C)c2)CC1 ZINC001348579313 1066758033 /nfs/dbraw/zinc/75/80/33/1066758033.db2.gz MTKUDVCXDFFHHU-IBGZPJMESA-N 1 0 458.400 4.404 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001317905379 1066775460 /nfs/dbraw/zinc/77/54/60/1066775460.db2.gz RLMNPSSKJKTBPB-UHFFFAOYSA-N 1 0 452.437 4.013 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317927142 1066790678 /nfs/dbraw/zinc/79/06/78/1066790678.db2.gz GFWPQRRXMDGQBA-IBGZPJMESA-N 1 0 458.562 4.344 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)nc1 ZINC001317930148 1066792594 /nfs/dbraw/zinc/79/25/94/1066792594.db2.gz SPJCVKILPDXZNX-UHFFFAOYSA-N 1 0 464.635 4.318 20 0 JIADRO CN1C(=O)C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccc(F)c1 ZINC001349160498 1066815759 /nfs/dbraw/zinc/81/57/59/1066815759.db2.gz GIQULFYGLTZPRD-JTHBVZDNSA-N 1 0 477.502 4.098 20 0 JIADRO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001317966478 1066818221 /nfs/dbraw/zinc/81/82/21/1066818221.db2.gz LVCVTGYPGUWLCD-UHFFFAOYSA-N 1 0 462.516 4.285 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001492546818 1066852628 /nfs/dbraw/zinc/85/26/28/1066852628.db2.gz CWKGTYSOVOYBIZ-UHFFFAOYSA-N 1 0 496.700 4.171 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)c1 ZINC001318045590 1066868949 /nfs/dbraw/zinc/86/89/49/1066868949.db2.gz WGRBOJNWUSKCCE-DEOSSOPVSA-N 1 0 457.018 4.454 20 0 JIADRO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001349672476 1066870340 /nfs/dbraw/zinc/87/03/40/1066870340.db2.gz BKLRZVYJEBTXQE-UHFFFAOYSA-N 1 0 451.592 4.130 20 0 JIADRO O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318061821 1066878892 /nfs/dbraw/zinc/87/88/92/1066878892.db2.gz RBXIUHUIXVJOJQ-QHCPKHFHSA-N 1 0 451.574 4.457 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1 ZINC001349739234 1066878889 /nfs/dbraw/zinc/87/88/89/1066878889.db2.gz NUWZEUKOEBTSIK-IZZNHLLZSA-N 1 0 473.592 4.204 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318067206 1066882455 /nfs/dbraw/zinc/88/24/55/1066882455.db2.gz QITMSYLLCPLIGE-XMMPIXPASA-N 1 0 467.564 4.360 20 0 JIADRO O=C(COc1cc(-c2ccccc2)sc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC001318074382 1066886411 /nfs/dbraw/zinc/88/64/11/1066886411.db2.gz PCNJZIUXAADKMM-OAQYLSRUSA-N 1 0 467.635 4.117 20 0 JIADRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC001318103082 1066900388 /nfs/dbraw/zinc/90/03/88/1066900388.db2.gz QKOVRMORAMUUFL-LBNVMWSVSA-N 1 0 480.612 4.359 20 0 JIADRO O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318103208 1066900772 /nfs/dbraw/zinc/90/07/72/1066900772.db2.gz VRLOBZXHUHCJPO-KRWDZBQOSA-N 1 0 461.513 4.325 20 0 JIADRO CCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc2C1=O ZINC001350073998 1066912587 /nfs/dbraw/zinc/91/25/87/1066912587.db2.gz YLHZTQKVTYNXMJ-OAQYLSRUSA-N 1 0 453.608 4.347 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1 ZINC001318131844 1066914878 /nfs/dbraw/zinc/91/48/78/1066914878.db2.gz FOOTXLZKSXUOAJ-UHFFFAOYSA-N 1 0 457.578 4.060 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCCN(C)CC(F)(F)F)c1 ZINC001492547442 1066921859 /nfs/dbraw/zinc/92/18/59/1066921859.db2.gz ZEVBVJJHSDCQFS-UHFFFAOYSA-N 1 0 494.606 4.114 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCC(Nc3ccccc3)CC2)CC1 ZINC001318177495 1066941147 /nfs/dbraw/zinc/94/11/47/1066941147.db2.gz XHFCYTHNAGYECX-FQEVSTJZSA-N 1 0 453.606 4.315 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001350337633 1066945170 /nfs/dbraw/zinc/94/51/70/1066945170.db2.gz SPAODRUYWVIAJG-AWNIVKPZSA-N 1 0 450.564 4.361 20 0 JIADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)C)ccc1NC(=O)c1ccccc1I ZINC001318208684 1066959581 /nfs/dbraw/zinc/95/95/81/1066959581.db2.gz TVPFLNBXBNMSLW-UHFFFAOYSA-N 1 0 465.335 4.179 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c2)CC1 ZINC001318232852 1066975115 /nfs/dbraw/zinc/97/51/15/1066975115.db2.gz MILFEMRLIHPSPO-QHCPKHFHSA-N 1 0 477.436 4.024 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001318244560 1066980724 /nfs/dbraw/zinc/98/07/24/1066980724.db2.gz BNHFSBJEPVJCTN-UHFFFAOYSA-N 1 0 472.412 4.139 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001318244616 1066981655 /nfs/dbraw/zinc/98/16/55/1066981655.db2.gz KCZNIANOHCSIOA-UHFFFAOYSA-N 1 0 480.378 4.388 20 0 JIADRO COc1ccc(Br)cc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318257863 1066987306 /nfs/dbraw/zinc/98/73/06/1066987306.db2.gz JWKGUYLUGMXWBF-CQSZACIVSA-N 1 0 465.367 4.231 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001492548239 1066989882 /nfs/dbraw/zinc/98/98/82/1066989882.db2.gz WAONXJNUSGZNRA-HSZRJFAPSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccc(C[C@@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC001318263589 1066990774 /nfs/dbraw/zinc/99/07/74/1066990774.db2.gz WOAPWHBGJWRXDE-HHHXNRCGSA-N 1 0 488.632 4.239 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(I)cc2Cl)CC1 ZINC001318290815 1067004756 /nfs/dbraw/zinc/00/47/56/1067004756.db2.gz QWZDZLYBNLKWTQ-UHFFFAOYSA-N 1 0 484.769 4.018 20 0 JIADRO COc1cc([C@H](C)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1OC1CCCC1 ZINC001318327475 1067019543 /nfs/dbraw/zinc/01/95/43/1067019543.db2.gz UZZLUMPHFJMRRI-FQEVSTJZSA-N 1 0 466.626 4.329 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)[NH+]1CCCCC1 ZINC001318335129 1067021638 /nfs/dbraw/zinc/02/16/38/1067021638.db2.gz JZTYKJJHRXLXLH-AHWVRZQESA-N 1 0 476.621 4.380 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1)c1cccc(OC)c1 ZINC001318338859 1067022690 /nfs/dbraw/zinc/02/26/90/1067022690.db2.gz PJFMTYJUYRRZQN-LOSJGSFVSA-N 1 0 464.610 4.236 20 0 JIADRO C[C@H](NC(=O)CSc1ccc(Br)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318345824 1067025851 /nfs/dbraw/zinc/02/58/51/1067025851.db2.gz LFTBSVYJXQPWLU-HNNXBMFYSA-N 1 0 466.420 4.310 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001300686799 1067029645 /nfs/dbraw/zinc/02/96/45/1067029645.db2.gz JYKSGDREJSUFIO-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001351008975 1067031406 /nfs/dbraw/zinc/03/14/06/1067031406.db2.gz VYZCSRAFHARLSB-WIYYLYMNSA-N 1 0 457.665 4.412 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC001318381497 1067035359 /nfs/dbraw/zinc/03/53/59/1067035359.db2.gz NYKNKUGRGHXOIK-NDEPHWFRSA-N 1 0 470.617 4.352 20 0 JIADRO COc1ccc([C@@H](CNC(=O)C2(c3cncc(Br)c3)CC2)[NH+]2CCCCC2)cc1 ZINC001351032411 1067035577 /nfs/dbraw/zinc/03/55/77/1067035577.db2.gz AYTQJCHONUPDHW-OAQYLSRUSA-N 1 0 458.400 4.228 20 0 JIADRO CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001354672769 1067036211 /nfs/dbraw/zinc/03/62/11/1067036211.db2.gz MLJCPHHBWNKEKB-QDPGVEIFSA-N 1 0 457.574 4.083 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)CC1 ZINC001318402367 1067038213 /nfs/dbraw/zinc/03/82/13/1067038213.db2.gz DBBWCVHSXHVKIU-UHFFFAOYSA-N 1 0 452.624 4.156 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2cccc(NC(=O)NC)c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001351067405 1067039830 /nfs/dbraw/zinc/03/98/30/1067039830.db2.gz HRZFUBJUQVODIC-UHFFFAOYSA-N 1 0 458.584 4.088 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492548642 1067040999 /nfs/dbraw/zinc/04/09/99/1067040999.db2.gz HETOYNHMGJDKHZ-IRLDBZIGSA-N 1 0 484.670 4.176 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001354733423 1067068025 /nfs/dbraw/zinc/06/80/25/1067068025.db2.gz YDSGGZJEURPWPQ-BJUWEZRKSA-N 1 0 457.977 4.025 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(COc3ccccc3F)on2)CC1 ZINC001351298001 1067072885 /nfs/dbraw/zinc/07/28/85/1067072885.db2.gz JQAMCQWWRZELKE-UHFFFAOYSA-N 1 0 458.921 4.440 20 0 JIADRO COc1ncccc1Cn1c(Cc2ccccc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300710358 1067083322 /nfs/dbraw/zinc/08/33/22/1067083322.db2.gz CDFSSFZCLLKUSL-UHFFFAOYSA-N 1 0 462.642 4.186 20 0 JIADRO Cc1cc(NC(=O)c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)ccc1N1CC[NH+](C)CC1 ZINC001319968805 1067084056 /nfs/dbraw/zinc/08/40/56/1067084056.db2.gz QPBXVFLOAZVIFT-UHFFFAOYSA-N 1 0 468.561 4.128 20 0 JIADRO Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC001320953154 1067096389 /nfs/dbraw/zinc/09/63/89/1067096389.db2.gz URTDIJCFZSIOIJ-UHFFFAOYSA-N 1 0 457.568 4.437 20 0 JIADRO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001321288401 1067104760 /nfs/dbraw/zinc/10/47/60/1067104760.db2.gz LHEXUIUJCOFZEU-VWLOTQADSA-N 1 0 479.506 4.491 20 0 JIADRO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001354815634 1067139108 /nfs/dbraw/zinc/13/91/08/1067139108.db2.gz YJYKBMBJVWXNJW-NHCUHLMSSA-N 1 0 451.611 4.316 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)c2)CC1 ZINC001321512082 1067151966 /nfs/dbraw/zinc/15/19/66/1067151966.db2.gz ANJWLMQYWCKJCR-UHFFFAOYSA-N 1 0 480.012 4.383 20 0 JIADRO CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001321554332 1067164027 /nfs/dbraw/zinc/16/40/27/1067164027.db2.gz JZASPMPXDQTRBA-UHFFFAOYSA-N 1 0 456.590 4.390 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)CC1 ZINC001321636775 1067185794 /nfs/dbraw/zinc/18/57/94/1067185794.db2.gz PQEVULQNTZPKAJ-UHFFFAOYSA-N 1 0 464.635 4.238 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001321640252 1067186784 /nfs/dbraw/zinc/18/67/84/1067186784.db2.gz MQDUQAFCOUZEIK-UHFFFAOYSA-N 1 0 475.659 4.132 20 0 JIADRO COc1cccc([C@H](CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)c1 ZINC001321692092 1067198285 /nfs/dbraw/zinc/19/82/85/1067198285.db2.gz WMKYNAVIAKLRSB-BDYUSTAISA-N 1 0 473.621 4.454 20 0 JIADRO CCOC(=O)C1CCC(CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001351776990 1067203197 /nfs/dbraw/zinc/20/31/97/1067203197.db2.gz SBQDBRKKPCJPRM-UHFFFAOYSA-N 1 0 454.533 4.499 20 0 JIADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@@H](O)c1ccccc1F ZINC001200802009 1067206078 /nfs/dbraw/zinc/20/60/78/1067206078.db2.gz DNXKRACXKUZWEK-WMZOPIPTSA-N 1 0 459.299 4.049 20 0 JIADRO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N3CC[NH+](C(C)(C)C)CC3)cc2Cl)n1 ZINC001322087888 1067249253 /nfs/dbraw/zinc/24/92/53/1067249253.db2.gz JBTFGTNNBGCUQW-KRWDZBQOSA-N 1 0 461.010 4.301 20 0 JIADRO CC[NH+]1CCC(CNC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200809491 1067253455 /nfs/dbraw/zinc/25/34/55/1067253455.db2.gz XRWFTEUBHMLWIO-UHFFFAOYSA-N 1 0 453.219 4.369 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200810046 1067256943 /nfs/dbraw/zinc/25/69/43/1067256943.db2.gz DQQAOFUKANWETG-MSOLQXFVSA-N 1 0 451.423 4.369 20 0 JIADRO COc1cccc([C@H](CNC(=O)c2cc(OC)cc(Br)c2OC)[NH+]2CCCC2)c1 ZINC001322201938 1067262288 /nfs/dbraw/zinc/26/22/88/1067262288.db2.gz GEKWJDDQUNVGTH-FQEVSTJZSA-N 1 0 463.372 4.042 20 0 JIADRO Cc1cc(I)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC001352018980 1067270313 /nfs/dbraw/zinc/27/03/13/1067270313.db2.gz JXOQUFZJSKICBG-SFHVURJKSA-N 1 0 452.336 4.458 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001200814780 1067272403 /nfs/dbraw/zinc/27/24/03/1067272403.db2.gz QYLUCBWSPQHIPZ-XMSQKQJNSA-N 1 0 471.498 4.260 20 0 JIADRO COC(=O)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001354914609 1067278163 /nfs/dbraw/zinc/27/81/63/1067278163.db2.gz TYIWHSRRCKQTKZ-GOSISDBHSA-N 1 0 454.445 4.198 20 0 JIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)CC1 ZINC001322380661 1067284112 /nfs/dbraw/zinc/28/41/12/1067284112.db2.gz HIYNEFOYFIAYNJ-UHFFFAOYSA-N 1 0 455.566 4.404 20 0 JIADRO CCc1ccc([C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c2cccc(F)c2)cc1 ZINC001322524775 1067300903 /nfs/dbraw/zinc/30/09/03/1067300903.db2.gz LAJVTOPZJJCLAS-AREMUKBSSA-N 1 0 490.627 4.169 20 0 JIADRO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001322567636 1067303143 /nfs/dbraw/zinc/30/31/43/1067303143.db2.gz WVTZLYMOKHDCCE-LBPRGKRZSA-N 1 0 481.828 4.269 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC001322589610 1067303931 /nfs/dbraw/zinc/30/39/31/1067303931.db2.gz NNTMJWIRKYYRQH-UHFFFAOYSA-N 1 0 467.994 4.226 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nnc(-c4ccccc4)cc3C(F)(F)F)c2)C1 ZINC001322582073 1067304103 /nfs/dbraw/zinc/30/41/03/1067304103.db2.gz SGMLNUQUYRHTHD-HXUWFJFHSA-N 1 0 469.511 4.472 20 0 JIADRO COc1ccc([C@H](CNC(=O)COC(=O)c2cc(C)nc3cc(F)ccc32)[NH+]2CCCCC2)cc1 ZINC001322770547 1067308507 /nfs/dbraw/zinc/30/85/07/1067308507.db2.gz XHCNQUCYEXVJHK-VWLOTQADSA-N 1 0 479.552 4.191 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CC(=O)N(C)c5ccccc54)cc3)CC2)c1 ZINC001322844773 1067310205 /nfs/dbraw/zinc/31/02/05/1067310205.db2.gz GXBICJYUDYYOPW-SANMLTNESA-N 1 0 468.601 4.406 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ncc(Br)cc1Br)c1ccccc1 ZINC001354972559 1067311098 /nfs/dbraw/zinc/31/10/98/1067311098.db2.gz YJEZSPUHXVHPGK-MRXNPFEDSA-N 1 0 455.194 4.420 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492579159 1067312168 /nfs/dbraw/zinc/31/21/68/1067312168.db2.gz FECNMIVYUJOWCA-CTNGQTDRSA-N 1 0 479.591 4.455 20 0 JIADRO Cc1cccc(Oc2ccc(C(=O)Nc3ccc(CC[NH+]4CCC(C(N)=O)CC4)cc3)nc2)c1 ZINC001352238642 1067315910 /nfs/dbraw/zinc/31/59/10/1067315910.db2.gz OYWMWHRLPIHICX-UHFFFAOYSA-N 1 0 458.562 4.174 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001354984568 1067317077 /nfs/dbraw/zinc/31/70/77/1067317077.db2.gz MDXHNYKDVWXVLN-SJLPKXTDSA-N 1 0 451.011 4.066 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492552755 1067319354 /nfs/dbraw/zinc/31/93/54/1067319354.db2.gz DMYOQZRVSIUIGD-QONNDPFASA-N 1 0 499.700 4.325 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001300771983 1067321064 /nfs/dbraw/zinc/32/10/64/1067321064.db2.gz HEAPHGAGZZPBHH-NRFANRHFSA-N 1 0 492.462 4.109 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)(c2ccccc2)C1 ZINC001352268139 1067321435 /nfs/dbraw/zinc/32/14/35/1067321435.db2.gz JOLAZEPTGYIBDF-RLWLMLJZSA-N 1 0 453.583 4.112 20 0 JIADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001352268271 1067321796 /nfs/dbraw/zinc/32/17/96/1067321796.db2.gz ORZIIOHHJKEALT-MRXNPFEDSA-N 1 0 456.178 4.300 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492495013 1067322297 /nfs/dbraw/zinc/32/22/97/1067322297.db2.gz NLDWIVNNQGVJFX-HBMCJLEFSA-N 1 0 478.641 4.439 20 0 JIADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001354994211 1067324916 /nfs/dbraw/zinc/32/49/16/1067324916.db2.gz UAWPSEANEWSOKB-GKVSMKOHSA-N 1 0 450.558 4.367 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300774001 1067326773 /nfs/dbraw/zinc/32/67/73/1067326773.db2.gz WAHAGURNVPDPPQ-RPWUZVMVSA-N 1 0 469.674 4.457 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001300774549 1067327733 /nfs/dbraw/zinc/32/77/33/1067327733.db2.gz ZBLAJENSEAFRQW-NRFANRHFSA-N 1 0 462.038 4.248 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492496343 1067330106 /nfs/dbraw/zinc/33/01/06/1067330106.db2.gz RUEKLSFLHIRJLI-HXUWFJFHSA-N 1 0 467.687 4.181 20 0 JIADRO O=C(NCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC001352331620 1067333892 /nfs/dbraw/zinc/33/38/92/1067333892.db2.gz CTDFPZYMGPCEHG-BJKOFHAPSA-N 1 0 454.014 4.124 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300000525 1067336739 /nfs/dbraw/zinc/33/67/39/1067336739.db2.gz HBYJZMXEAJDLBC-XHCCPWGMSA-N 1 0 495.672 4.151 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300000662 1067336915 /nfs/dbraw/zinc/33/69/15/1067336915.db2.gz IFSBYKOOJUECBR-ZDUSSCGKSA-N 1 0 479.448 4.068 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001300001240 1067339059 /nfs/dbraw/zinc/33/90/59/1067339059.db2.gz SCAYSWCSXPOJOJ-UHFFFAOYSA-N 1 0 490.368 4.447 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC001492497854 1067339705 /nfs/dbraw/zinc/33/97/05/1067339705.db2.gz KOLCRRNWXAQSEO-UHFFFAOYSA-N 1 0 462.642 4.136 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300001353 1067339849 /nfs/dbraw/zinc/33/98/49/1067339849.db2.gz AQOWYJSNCBHDCU-GOSISDBHSA-N 1 0 453.587 4.232 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2scnc2C)CC1 ZINC001300783494 1067341350 /nfs/dbraw/zinc/34/13/50/1067341350.db2.gz YDXDYILLEHOFKP-UHFFFAOYSA-N 1 0 458.632 4.137 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CO)CC2)CC1 ZINC001300783542 1067341378 /nfs/dbraw/zinc/34/13/78/1067341378.db2.gz ZSSORMRLUKEPDL-UHFFFAOYSA-N 1 0 483.701 4.341 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC001300784532 1067344079 /nfs/dbraw/zinc/34/40/79/1067344079.db2.gz JVSFEWXXJJKDSL-JOCHJYFZSA-N 1 0 459.635 4.070 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001300784883 1067345015 /nfs/dbraw/zinc/34/50/15/1067345015.db2.gz GUHBQGVLWWDVCM-UHFFFAOYSA-N 1 0 487.048 4.345 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001300785169 1067345621 /nfs/dbraw/zinc/34/56/21/1067345621.db2.gz CIJYEFNJUILCAP-SFHVURJKSA-N 1 0 494.105 4.342 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)CC1 ZINC001300785550 1067347074 /nfs/dbraw/zinc/34/70/74/1067347074.db2.gz GKRZJZIVXYOSQE-GHTZIAJQSA-N 1 0 475.703 4.493 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492554100 1067353783 /nfs/dbraw/zinc/35/37/83/1067353783.db2.gz RRPXLPZBHKNNPI-YADHBBJMSA-N 1 0 452.647 4.284 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300007028 1067356628 /nfs/dbraw/zinc/35/66/28/1067356628.db2.gz WZEVMJZNEBRMQK-AVRWGWEMSA-N 1 0 486.064 4.488 20 0 JIADRO CN(C)[C@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC001200853511 1067360856 /nfs/dbraw/zinc/36/08/56/1067360856.db2.gz HGAHRSKRYVKQOX-LEWJYISDSA-N 1 0 452.039 4.481 20 0 JIADRO COC1CC[NH+](C2(Cn3c([C@H]4CCCO4)nnc3N(C)[C@@H](C)CCSC)CCCC2)CC1 ZINC001300792548 1067363166 /nfs/dbraw/zinc/36/31/66/1067363166.db2.gz XXNNHVBJNWMWHZ-PZJWPPBQSA-N 1 0 465.708 4.131 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300010697 1067363612 /nfs/dbraw/zinc/36/36/12/1067363612.db2.gz NSAGTMVXUHWPPE-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)F)n2CC[N@@H+]2CCc3sccc3C2)cc1OC ZINC001300011132 1067364364 /nfs/dbraw/zinc/36/43/64/1067364364.db2.gz BLLMAWWCQWLRTC-UHFFFAOYSA-N 1 0 477.581 4.174 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccccc2[S@@](=O)C(F)(F)F)ccc1OC ZINC001352384118 1067367389 /nfs/dbraw/zinc/36/73/89/1067367389.db2.gz ZCZPLNIMBHFQJQ-WJOKGBTCSA-N 1 0 458.502 4.296 20 0 JIADRO COc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001300016837 1067377085 /nfs/dbraw/zinc/37/70/85/1067377085.db2.gz IPMGHRSJYMUTPR-DEOSSOPVSA-N 1 0 461.676 4.270 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300017234 1067378730 /nfs/dbraw/zinc/37/87/30/1067378730.db2.gz NTWZBHNQSITBTQ-UHFFFAOYSA-N 1 0 487.645 4.162 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001300017478 1067379542 /nfs/dbraw/zinc/37/95/42/1067379542.db2.gz PQPXPZBIGPEMPF-IYBDPMFKSA-N 1 0 466.424 4.082 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001300023791 1067392987 /nfs/dbraw/zinc/39/29/87/1067392987.db2.gz IWSKFDWQCDHIBJ-HSZRJFAPSA-N 1 0 471.646 4.088 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c1 ZINC001355236153 1067393637 /nfs/dbraw/zinc/39/36/37/1067393637.db2.gz WJQKDFRBQZLFFO-UHFFFAOYSA-N 1 0 456.562 4.134 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300027072 1067399499 /nfs/dbraw/zinc/39/94/99/1067399499.db2.gz IJYREYVVABCJRX-QGZVFWFLSA-N 1 0 479.547 4.393 20 0 JIADRO CN(C)c1nc(Cl)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)s1 ZINC001352473543 1067424731 /nfs/dbraw/zinc/42/47/31/1067424731.db2.gz GETJETKNADMWSO-UHFFFAOYSA-N 1 0 450.008 4.319 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)c(OC)c1 ZINC001300032399 1067427067 /nfs/dbraw/zinc/42/70/67/1067427067.db2.gz FBAXDTRTJVFFLY-UHFFFAOYSA-N 1 0 465.520 4.003 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300032200 1067427130 /nfs/dbraw/zinc/42/71/30/1067427130.db2.gz DOAFIPUFIVAHJK-SKPFHBQLSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300036041 1067443491 /nfs/dbraw/zinc/44/34/91/1067443491.db2.gz JFZKHPJDROBVPX-ROUUACIJSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(c4nc(C)no4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c(OC)c1 ZINC001300038474 1067451878 /nfs/dbraw/zinc/45/18/78/1067451878.db2.gz PIKFMVZYMWUEJU-FQEVSTJZSA-N 1 0 497.644 4.014 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(C)(C)SC)c(OC)c1 ZINC001300041294 1067468524 /nfs/dbraw/zinc/46/85/24/1067468524.db2.gz CIYIHNGSJKJPNM-GOSISDBHSA-N 1 0 459.660 4.169 20 0 JIADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001300050537 1067508995 /nfs/dbraw/zinc/50/89/95/1067508995.db2.gz WVKBPBKNXZKGLP-NRFANRHFSA-N 1 0 459.656 4.201 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300050900 1067511462 /nfs/dbraw/zinc/51/14/62/1067511462.db2.gz VYBABHWIVJSLLR-ISKFKSNPSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300051154 1067513740 /nfs/dbraw/zinc/51/37/40/1067513740.db2.gz CTEJGZWJIZPBQL-FNZWTVRRSA-N 1 0 471.646 4.232 20 0 JIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC001200071079 1067519311 /nfs/dbraw/zinc/51/93/11/1067519311.db2.gz SILGKKSPXUFUPW-QHCPKHFHSA-N 1 0 459.635 4.353 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001300052116 1067520708 /nfs/dbraw/zinc/52/07/08/1067520708.db2.gz VNGWDTJENOQAFV-FQRUVTKNSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300052187 1067521370 /nfs/dbraw/zinc/52/13/70/1067521370.db2.gz WSTCRRRPVFWJSY-IBVKSMDESA-N 1 0 471.646 4.088 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001492582494 1067527372 /nfs/dbraw/zinc/52/73/72/1067527372.db2.gz JXEBPKALFHHTNK-FQEVSTJZSA-N 1 0 484.689 4.305 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492582772 1067532588 /nfs/dbraw/zinc/53/25/88/1067532588.db2.gz SNQGYKSCDQEXHQ-PMACEKPBSA-N 1 0 493.618 4.439 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300055008 1067534366 /nfs/dbraw/zinc/53/43/66/1067534366.db2.gz APVVQVYHFFNHJS-WMZOPIPTSA-N 1 0 494.478 4.450 20 0 JIADRO CNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001355644637 1067539485 /nfs/dbraw/zinc/53/94/85/1067539485.db2.gz FLWDQRYENSOHKI-LOSJGSFVSA-N 1 0 461.993 4.232 20 0 JIADRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=S)NCCc2ccc(OC)c(OC)c2)CC3)c1 ZINC001200076532 1067541671 /nfs/dbraw/zinc/54/16/71/1067541671.db2.gz KUZBGVWHCRJLKK-UHFFFAOYSA-N 1 0 483.678 4.118 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)nc2)CC1 ZINC001355691573 1067553056 /nfs/dbraw/zinc/55/30/56/1067553056.db2.gz VDVBFRASCQQTCE-LEWJYISDSA-N 1 0 459.635 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300059175 1067555028 /nfs/dbraw/zinc/55/50/28/1067555028.db2.gz KCYVJIHWDDUVGN-PZJWPPBQSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300059394 1067555444 /nfs/dbraw/zinc/55/54/44/1067555444.db2.gz MROBEJQXHXMRIB-IBGZPJMESA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=S)NCCc2ccc(OC)c(OC)c2)cc1 ZINC001200080515 1067558780 /nfs/dbraw/zinc/55/87/80/1067558780.db2.gz WEFLYXRVJYCNCQ-QFIPXVFZSA-N 1 0 471.667 4.116 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001492584365 1067561438 /nfs/dbraw/zinc/56/14/38/1067561438.db2.gz JHBTYYYIVKLCCN-XMMPIXPASA-N 1 0 494.728 4.432 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2nc(C)c(C)s2)c(OC)c1 ZINC001300062301 1067569445 /nfs/dbraw/zinc/56/94/45/1067569445.db2.gz YSAHMIXKWVDPJL-UHFFFAOYSA-N 1 0 484.670 4.395 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC001300063038 1067571298 /nfs/dbraw/zinc/57/12/98/1067571298.db2.gz MWHIICFMMNLTIP-XMERXJNXSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC=CO2)cc1Br ZINC001300067254 1067583037 /nfs/dbraw/zinc/58/30/37/1067583037.db2.gz MZGNTPQLBBCXFQ-GOSISDBHSA-N 1 0 490.446 4.329 20 0 JIADRO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC001200088911 1067585076 /nfs/dbraw/zinc/58/50/76/1067585076.db2.gz NQFWBELGJYNYDB-UHFFFAOYSA-N 1 0 481.584 4.394 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1C ZINC001200089407 1067586969 /nfs/dbraw/zinc/58/69/69/1067586969.db2.gz TYYYTWDJFFXQII-UHFFFAOYSA-N 1 0 459.638 4.188 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300069310 1067588779 /nfs/dbraw/zinc/58/87/79/1067588779.db2.gz MTTFYDZRQVTZGL-UHFFFAOYSA-N 1 0 498.075 4.448 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)SC)cc1Br ZINC001300070964 1067591659 /nfs/dbraw/zinc/59/16/59/1067591659.db2.gz PDGZUUNBKQWKQG-INIZCTEOSA-N 1 0 482.492 4.246 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300074509 1067598198 /nfs/dbraw/zinc/59/81/98/1067598198.db2.gz GXCBXQLIINUXLO-HSZRJFAPSA-N 1 0 482.698 4.314 20 0 JIADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC001355899146 1067602523 /nfs/dbraw/zinc/60/25/23/1067602523.db2.gz ZAELJPQGAFINIS-SFHVURJKSA-N 1 0 451.615 4.093 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300076293 1067603371 /nfs/dbraw/zinc/60/33/71/1067603371.db2.gz NCIJIQAZKSOZSK-UHFFFAOYSA-N 1 0 499.578 4.098 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001300084607 1067625041 /nfs/dbraw/zinc/62/50/41/1067625041.db2.gz YDHMYGWUXOCFRG-QGZVFWFLSA-N 1 0 492.462 4.063 20 0 JIADRO COc1c(Br)cccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001352685715 1067625100 /nfs/dbraw/zinc/62/51/00/1067625100.db2.gz UBDKGNVMQYTFMY-UHFFFAOYSA-N 1 0 450.352 4.380 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300088458 1067636867 /nfs/dbraw/zinc/63/68/67/1067636867.db2.gz MQYRTYXWMFPFHV-AZUAARDMSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300089786 1067642643 /nfs/dbraw/zinc/64/26/43/1067642643.db2.gz QZELPOZLYABVKZ-GUDVDZBRSA-N 1 0 459.660 4.024 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC[C@@H]21 ZINC001200109931 1067646544 /nfs/dbraw/zinc/64/65/44/1067646544.db2.gz URJDKNGNCIFBCQ-MSYCTHLASA-N 1 0 473.042 4.252 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300093771 1067654030 /nfs/dbraw/zinc/65/40/30/1067654030.db2.gz AJNRQUMJOALFEE-DEOSSOPVSA-N 1 0 468.690 4.199 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)ccn1 ZINC001356137658 1067668915 /nfs/dbraw/zinc/66/89/15/1067668915.db2.gz RYWAMXRAVUAVFE-QFIPXVFZSA-N 1 0 454.368 4.304 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001300099272 1067670257 /nfs/dbraw/zinc/67/02/57/1067670257.db2.gz VLIRCLOIDHFESW-VWNXMTODSA-N 1 0 469.674 4.454 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300099554 1067671376 /nfs/dbraw/zinc/67/13/76/1067671376.db2.gz HOAOBHKMSZMKKW-YKSBVNFPSA-N 1 0 477.657 4.179 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300104953 1067688349 /nfs/dbraw/zinc/68/83/49/1067688349.db2.gz LEFDMELPVHSXTP-DPLHUUCSSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2C(C)(C)C)cc1OC ZINC001300108526 1067705166 /nfs/dbraw/zinc/70/51/66/1067705166.db2.gz UFTDPBJIVBNGEP-FQEVSTJZSA-N 1 0 457.663 4.250 20 0 JIADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)cc1 ZINC001200127472 1067706640 /nfs/dbraw/zinc/70/66/40/1067706640.db2.gz VRDFFJOLVPHSNQ-UHFFFAOYSA-N 1 0 450.919 4.239 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300112931 1067716713 /nfs/dbraw/zinc/71/67/13/1067716713.db2.gz AEUOWXYJMBCTOE-DEOSSOPVSA-N 1 0 499.700 4.028 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300113684 1067718957 /nfs/dbraw/zinc/71/89/57/1067718957.db2.gz MDKXWMUSCVPIME-VSPOGIRPSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001300117623 1067728919 /nfs/dbraw/zinc/72/89/19/1067728919.db2.gz NGRDZLHITPCGAZ-QFIPXVFZSA-N 1 0 469.674 4.055 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(C)n(C)c3ccc(OC)cc32)CC1 ZINC001356350969 1067732598 /nfs/dbraw/zinc/73/25/98/1067732598.db2.gz CJBKUEWRKVJEPI-QGZVFWFLSA-N 1 0 452.574 4.267 20 0 JIADRO C[C@@H]1CN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356353696 1067733614 /nfs/dbraw/zinc/73/36/14/1067733614.db2.gz BNTVYZDFAYAGGG-SELNLUPBSA-N 1 0 453.583 4.235 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001356354775 1067734082 /nfs/dbraw/zinc/73/40/82/1067734082.db2.gz KWDNOFBZJWFJIR-PQNGQFLHSA-N 1 0 451.611 4.416 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC[C@H](OC)C(F)(F)F)cc1 ZINC001300120217 1067736769 /nfs/dbraw/zinc/73/67/69/1067736769.db2.gz PJIRYUAGCHWPLH-IRLDBZIGSA-N 1 0 495.590 4.104 20 0 JIADRO Cc1ccccc1-c1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001200141993 1067742330 /nfs/dbraw/zinc/74/23/30/1067742330.db2.gz OZUQEYUVPCNUMF-HSZRJFAPSA-N 1 0 450.604 4.409 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H]3CSC)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300122877 1067742471 /nfs/dbraw/zinc/74/24/71/1067742471.db2.gz KUUCTXCABLAOIB-JOCHJYFZSA-N 1 0 457.688 4.136 20 0 JIADRO Cc1ccccc1-c1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001200141994 1067742499 /nfs/dbraw/zinc/74/24/99/1067742499.db2.gz OZUQEYUVPCNUMF-QHCPKHFHSA-N 1 0 450.604 4.409 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300125016 1067749100 /nfs/dbraw/zinc/74/91/00/1067749100.db2.gz BTJLMNRQAJIRJE-QHCPKHFHSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)c2ccccn2)cc1 ZINC001300125990 1067751757 /nfs/dbraw/zinc/75/17/57/1067751757.db2.gz ABNGTUBXQAUZLG-UHFFFAOYSA-N 1 0 476.669 4.223 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2ccsc2)cc1 ZINC001300126677 1067754915 /nfs/dbraw/zinc/75/49/15/1067754915.db2.gz PQWQFIPWHFOQMA-UHFFFAOYSA-N 1 0 453.656 4.297 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001300127597 1067759223 /nfs/dbraw/zinc/75/92/23/1067759223.db2.gz SZAJYVXZPXCCLM-VWNXMTODSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300128164 1067760526 /nfs/dbraw/zinc/76/05/26/1067760526.db2.gz ILCREHUSVVMTCF-SFTDATJTSA-N 1 0 457.688 4.278 20 0 JIADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001356492149 1067763337 /nfs/dbraw/zinc/76/33/37/1067763337.db2.gz PAEQUTOSMKUJSJ-NRFANRHFSA-N 1 0 459.384 4.421 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C[N@@H+]1Cc1ccccc1 ZINC001356501001 1067765383 /nfs/dbraw/zinc/76/53/83/1067765383.db2.gz ICCOKDNWOGBHIA-BYQMVHIGSA-N 1 0 455.643 4.441 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)cc21 ZINC001356514926 1067768733 /nfs/dbraw/zinc/76/87/33/1067768733.db2.gz SIFGDVTWOJDNGU-UHFFFAOYSA-N 1 0 452.898 4.249 20 0 JIADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC001352858746 1067768800 /nfs/dbraw/zinc/76/88/00/1067768800.db2.gz UNLJPBDDVRLPRN-UHFFFAOYSA-N 1 0 459.363 4.286 20 0 JIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1C ZINC001200152498 1067771629 /nfs/dbraw/zinc/77/16/29/1067771629.db2.gz XAHADZPZXAIBTI-UHFFFAOYSA-N 1 0 454.640 4.023 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132913 1067771957 /nfs/dbraw/zinc/77/19/57/1067771957.db2.gz IIYSOVZBGUXDKU-VWLOTQADSA-N 1 0 476.669 4.462 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1ccc(I)cc1 ZINC001352862940 1067772372 /nfs/dbraw/zinc/77/23/72/1067772372.db2.gz PYZGSVFODBZRCH-UHFFFAOYSA-N 1 0 450.364 4.204 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300133150 1067772409 /nfs/dbraw/zinc/77/24/09/1067772409.db2.gz OKQANNBKWMPRIH-AOHZBQACSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1N1CC[NH+](CCCNC(=S)Nc2ccc(C)cc2Br)CC1 ZINC001200154972 1067777217 /nfs/dbraw/zinc/77/72/17/1067777217.db2.gz CRTRNIYZRBEUNA-UHFFFAOYSA-N 1 0 477.472 4.265 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cnnc(-c3ccccc3)c2)ccc1Cl ZINC001356554832 1067777513 /nfs/dbraw/zinc/77/75/13/1067777513.db2.gz MUUGHRFVATVRNM-UHFFFAOYSA-N 1 0 451.958 4.121 20 0 JIADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001356604972 1067788053 /nfs/dbraw/zinc/78/80/53/1067788053.db2.gz SNKNLCVZIANFJX-LJQANCHMSA-N 1 0 456.428 4.325 20 0 JIADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000849066108 1067795354 /nfs/dbraw/zinc/79/53/54/1067795354.db2.gz YDWOYSMWLLVWST-AWEZNQCLSA-N 1 0 457.427 4.196 20 0 JIADRO CC1(C)CN([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccc(Cl)cc2)CCO1 ZINC000849073057 1067796840 /nfs/dbraw/zinc/79/68/40/1067796840.db2.gz GCZKUMFQFUQFIA-FQEVSTJZSA-N 1 0 458.990 4.290 20 0 JIADRO COc1cccc(N2CC[NH+](CCSCc3ccnc(NC(=O)OC(C)(C)C)c3)CC2)c1 ZINC001473085772 1067800688 /nfs/dbraw/zinc/80/06/88/1067800688.db2.gz OQSUBJXQWSBBJA-UHFFFAOYSA-N 1 0 458.628 4.493 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CCCC2)CC1 ZINC000481534014 1067802805 /nfs/dbraw/zinc/80/28/05/1067802805.db2.gz RDICDSVGMANVDK-UHFFFAOYSA-N 1 0 450.008 4.404 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1OC ZINC001357120255 1067806545 /nfs/dbraw/zinc/80/65/45/1067806545.db2.gz ZRFIRNPEDSKFRN-UHFFFAOYSA-N 1 0 454.958 4.221 20 0 JIADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H](CC3CCCCC3)NC(=O)OC(C)(C)C)nc2)C1 ZINC001357146377 1067810230 /nfs/dbraw/zinc/81/02/30/1067810230.db2.gz WZQSYKVIDHFVRS-RTWAWAEBSA-N 1 0 459.635 4.024 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001357154544 1067811747 /nfs/dbraw/zinc/81/17/47/1067811747.db2.gz TZBJEINIESQDPD-IXCJQBJRSA-N 1 0 476.642 4.302 20 0 JIADRO O=C(Nc1ccccc1)NC1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001473231073 1067812634 /nfs/dbraw/zinc/81/26/34/1067812634.db2.gz ZCQUUEKBBLHOQE-UHFFFAOYSA-N 1 0 450.583 4.321 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC2([NH+]3CCCC3)CCOCC2)cc1OC(F)F ZINC001300158417 1067814726 /nfs/dbraw/zinc/81/47/26/1067814726.db2.gz DOCGIOSQNRWJJK-UHFFFAOYSA-N 1 0 493.599 4.293 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)c(OC)c1 ZINC001300158457 1067814750 /nfs/dbraw/zinc/81/47/50/1067814750.db2.gz GCMAULKJMRANAD-UHFFFAOYSA-N 1 0 485.673 4.479 20 0 JIADRO COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)s2)c(F)c1 ZINC001357204677 1067818252 /nfs/dbraw/zinc/81/82/52/1067818252.db2.gz QOUOBXQGPKYDRG-UHFFFAOYSA-N 1 0 456.543 4.409 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001200189000 1067822549 /nfs/dbraw/zinc/82/25/49/1067822549.db2.gz FNZYRIOVQFRNGJ-HMXCVIKNSA-N 1 0 452.064 4.326 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC001300165866 1067824093 /nfs/dbraw/zinc/82/40/93/1067824093.db2.gz ICLLOWYTJPCYBZ-BGYRXZFFSA-N 1 0 478.641 4.367 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001300169335 1067827517 /nfs/dbraw/zinc/82/75/17/1067827517.db2.gz DWRWMUGXCCTODG-JTHBVZDNSA-N 1 0 455.647 4.390 20 0 JIADRO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001357292853 1067830973 /nfs/dbraw/zinc/83/09/73/1067830973.db2.gz UTZFZOQAPNKCGU-IBGZPJMESA-N 1 0 450.970 4.463 20 0 JIADRO Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)c2n1 ZINC001357346683 1067836956 /nfs/dbraw/zinc/83/69/56/1067836956.db2.gz TYAHUBOCDFORSJ-UHFFFAOYSA-N 1 0 456.497 4.042 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300176620 1067837217 /nfs/dbraw/zinc/83/72/17/1067837217.db2.gz ZYWRYJQSHTWRRE-XMMPIXPASA-N 1 0 478.641 4.038 20 0 JIADRO C[C@@H](CNC(=O)c1ccc(Cl)c(I)c1)[N@@H+]1CCc2ccccc2C1 ZINC001357359879 1067839152 /nfs/dbraw/zinc/83/91/52/1067839152.db2.gz OWOHAGZXGUHUIR-ZDUSSCGKSA-N 1 0 454.739 4.121 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N[C@H]1CC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001200205382 1067842619 /nfs/dbraw/zinc/84/26/19/1067842619.db2.gz CIKAEWHMFJDFFL-INIZCTEOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC001300179988 1067842928 /nfs/dbraw/zinc/84/29/28/1067842928.db2.gz HYBBLNQDKQIUKA-UHFFFAOYSA-N 1 0 473.637 4.030 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300180799 1067843607 /nfs/dbraw/zinc/84/36/07/1067843607.db2.gz SKEHHGUCRVMSAZ-RUZDIDTESA-N 1 0 479.673 4.295 20 0 JIADRO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)cc2)cc1 ZINC001357428080 1067848940 /nfs/dbraw/zinc/84/89/40/1067848940.db2.gz XHHHDQSQUJDSBI-UHFFFAOYSA-N 1 0 459.502 4.403 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(OC)c1OC ZINC001300185301 1067849585 /nfs/dbraw/zinc/84/95/85/1067849585.db2.gz VUTPLVHWJARVIB-UHFFFAOYSA-N 1 0 459.635 4.032 20 0 JIADRO Cc1cc(C)c(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1I ZINC001353093567 1067860777 /nfs/dbraw/zinc/86/07/77/1067860777.db2.gz QWYZPHFPMXXYFK-UHFFFAOYSA-N 1 0 452.336 4.491 20 0 JIADRO COc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(OC)n1 ZINC001300196308 1067865013 /nfs/dbraw/zinc/86/50/13/1067865013.db2.gz KEEISFHCMGIDNG-UHFFFAOYSA-N 1 0 485.032 4.370 20 0 JIADRO CCOC(=O)COc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357541067 1067866780 /nfs/dbraw/zinc/86/67/80/1067866780.db2.gz JHRHTXALVJLHPP-QFIPXVFZSA-N 1 0 450.457 4.022 20 0 JIADRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(F)cc1F ZINC001357562894 1067870622 /nfs/dbraw/zinc/87/06/22/1067870622.db2.gz WSPRTLMNGNAQLC-VQTJNVASSA-N 1 0 451.473 4.001 20 0 JIADRO Cc1c(Br)cc(F)cc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578112 1067873724 /nfs/dbraw/zinc/87/37/24/1067873724.db2.gz HCVSKYBTWBPLRA-AWEZNQCLSA-N 1 0 452.343 4.279 20 0 JIADRO Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001357579046 1067873982 /nfs/dbraw/zinc/87/39/82/1067873982.db2.gz QQKCQDWVJALLGA-AWEZNQCLSA-N 1 0 452.343 4.279 20 0 JIADRO COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357604480 1067876415 /nfs/dbraw/zinc/87/64/15/1067876415.db2.gz KIYUGCGVVOPFLP-UHFFFAOYSA-N 1 0 457.596 4.493 20 0 JIADRO CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001357607580 1067876563 /nfs/dbraw/zinc/87/65/63/1067876563.db2.gz CEFUJFVAVPCXRF-GGAORHGYSA-N 1 0 451.636 4.275 20 0 JIADRO O=C(Nc1ccccc1)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001357620809 1067878193 /nfs/dbraw/zinc/87/81/93/1067878193.db2.gz QGLOGZPCQIZAGP-SFHVURJKSA-N 1 0 482.806 4.128 20 0 JIADRO COc1ccc(-c2nc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)n[nH]2)c(OC)c1 ZINC001357629305 1067879348 /nfs/dbraw/zinc/87/93/48/1067879348.db2.gz LMOLYYWRQIJXGP-DENIHFKCSA-N 1 0 463.582 4.222 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001357632187 1067879835 /nfs/dbraw/zinc/87/98/35/1067879835.db2.gz UQFKTKFZNSQPCI-RZLJKOCPSA-N 1 0 457.618 4.475 20 0 JIADRO COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(OCC[NH+](C)C)cc3)s2)c(F)c1 ZINC001353146413 1067881347 /nfs/dbraw/zinc/88/13/47/1067881347.db2.gz DYUVKICPXZHTCW-UHFFFAOYSA-N 1 0 457.571 4.179 20 0 JIADRO COc1ccc(Cn2c(N3CC[NH+](CC4CC4)CC3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001300228713 1067899466 /nfs/dbraw/zinc/89/94/66/1067899466.db2.gz KXGHJCPKOLYUPT-UHFFFAOYSA-N 1 0 451.537 4.183 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cccc(OCC(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001357798573 1067901463 /nfs/dbraw/zinc/90/14/63/1067901463.db2.gz LRSNKXWKKDNEPN-UHFFFAOYSA-N 1 0 452.473 4.246 20 0 JIADRO O=C(NCc1cccc(OCC(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357860630 1067923281 /nfs/dbraw/zinc/92/32/81/1067923281.db2.gz LUHUWDFYESNAGA-BJKOFHAPSA-N 1 0 451.517 4.258 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300236292 1067928557 /nfs/dbraw/zinc/92/85/57/1067928557.db2.gz PKAJMYSADWQQJZ-NRFANRHFSA-N 1 0 491.080 4.225 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccn2C)n1CC[N@H+](C)C1CCCC1 ZINC001300237061 1067930871 /nfs/dbraw/zinc/93/08/71/1067930871.db2.gz CTNPLYLCHAWTER-UHFFFAOYSA-N 1 0 457.022 4.456 20 0 JIADRO CCCc1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)nn1-c1ccccc1F ZINC001357905784 1067938045 /nfs/dbraw/zinc/93/80/45/1067938045.db2.gz REOBUSVTEAZUKR-UHFFFAOYSA-N 1 0 450.562 4.142 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC001357936451 1067950255 /nfs/dbraw/zinc/95/02/55/1067950255.db2.gz QEXHTMDNOQELQC-XNMGPUDCSA-N 1 0 462.615 4.260 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492560614 1067955395 /nfs/dbraw/zinc/95/53/95/1067955395.db2.gz ZRMYPWWYXHNMHH-IRLDBZIGSA-N 1 0 466.674 4.117 20 0 JIADRO C[NH+](C)CCOc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccn1 ZINC001357978613 1067968744 /nfs/dbraw/zinc/96/87/44/1067968744.db2.gz OKGRGOIFUHZZGZ-UHFFFAOYSA-N 1 0 453.387 4.222 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300245765 1067971015 /nfs/dbraw/zinc/97/10/15/1067971015.db2.gz ZUMPBCHHVLRNGJ-NRFANRHFSA-N 1 0 486.680 4.310 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300248680 1067987796 /nfs/dbraw/zinc/98/77/96/1067987796.db2.gz DSAAMSWYXJOCAL-FQEVSTJZSA-N 1 0 464.614 4.127 20 0 JIADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358035446 1067997691 /nfs/dbraw/zinc/99/76/91/1067997691.db2.gz MNVLSOOKMRVDLE-BFMBIBTESA-N 1 0 457.977 4.124 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001300252036 1068003498 /nfs/dbraw/zinc/00/34/98/1068003498.db2.gz SKVRNERHVGVVSL-NRFANRHFSA-N 1 0 485.673 4.133 20 0 JIADRO C[C@H]1[C@@H](C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001358051557 1068004132 /nfs/dbraw/zinc/00/41/32/1068004132.db2.gz XNJCLNCTJOQZLM-RXVVDRJESA-N 1 0 458.603 4.085 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492561717 1068005579 /nfs/dbraw/zinc/00/55/79/1068005579.db2.gz MVXWGMQYQNESDI-QFIPXVFZSA-N 1 0 480.701 4.459 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)cc2)C1 ZINC001358072588 1068009642 /nfs/dbraw/zinc/00/96/42/1068009642.db2.gz OCHOLQGGAXELHQ-MRXNPFEDSA-N 1 0 455.427 4.290 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(Br)c2F)CC1 ZINC001358077951 1068012651 /nfs/dbraw/zinc/01/26/51/1068012651.db2.gz PYBWHANIGZZNGP-CQSZACIVSA-N 1 0 452.343 4.360 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492562511 1068016029 /nfs/dbraw/zinc/01/60/29/1068016029.db2.gz VAUBXUGVOGKBPO-QHCPKHFHSA-N 1 0 468.690 4.313 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001200298951 1068016644 /nfs/dbraw/zinc/01/66/44/1068016644.db2.gz SKZZJBFSCZMHFJ-UHFFFAOYSA-N 1 0 452.661 4.037 20 0 JIADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001353312147 1068020655 /nfs/dbraw/zinc/02/06/55/1068020655.db2.gz APVZJFHJDIVJJR-HNNXBMFYSA-N 1 0 452.764 4.049 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)[C@H]3c3cnn(C)c3)c2C1 ZINC001358122929 1068024516 /nfs/dbraw/zinc/02/45/16/1068024516.db2.gz ZGFUUGSXCWAHJH-YKSBVNFPSA-N 1 0 451.615 4.109 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300263753 1068030826 /nfs/dbraw/zinc/03/08/26/1068030826.db2.gz OHWHJTYZZTUPER-RBUKOAKNSA-N 1 0 484.670 4.387 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC001358182662 1068039541 /nfs/dbraw/zinc/03/95/41/1068039541.db2.gz UDVNRLSSJMTHKO-UCLAIMLFSA-N 1 0 454.949 4.366 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001200309657 1068039694 /nfs/dbraw/zinc/03/96/94/1068039694.db2.gz CHLNTTDGLQAIJB-UHFFFAOYSA-N 1 0 463.619 4.465 20 0 JIADRO Cc1ccc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1NC(=O)OC(C)(C)C ZINC001358187053 1068040183 /nfs/dbraw/zinc/04/01/83/1068040183.db2.gz ITTIBXQRHXNMCK-HSZRJFAPSA-N 1 0 452.599 4.061 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001492563564 1068041464 /nfs/dbraw/zinc/04/14/64/1068041464.db2.gz GEFOAFQLKQUGBN-QFIPXVFZSA-N 1 0 482.673 4.481 20 0 JIADRO COc1cc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(OC)c1 ZINC001358198274 1068042268 /nfs/dbraw/zinc/04/22/68/1068042268.db2.gz FIUTXMVOUCWIJL-DHIUTWEWSA-N 1 0 451.592 4.035 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300270897 1068049972 /nfs/dbraw/zinc/04/99/72/1068049972.db2.gz IOXPWSMDHVUHNR-RUZDIDTESA-N 1 0 497.684 4.405 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300271226 1068051164 /nfs/dbraw/zinc/05/11/64/1068051164.db2.gz VHAAVQDMLMDEGE-BDTNDASRSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300271852 1068053130 /nfs/dbraw/zinc/05/31/30/1068053130.db2.gz MUIYVFQUOWCWAG-XUZZJYLKSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300271850 1068053521 /nfs/dbraw/zinc/05/35/21/1068053521.db2.gz MUIYVFQUOWCWAG-QPPBQGQZSA-N 1 0 485.673 4.095 20 0 JIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001358282866 1068059200 /nfs/dbraw/zinc/05/92/00/1068059200.db2.gz KDRRQEMMLHLTGA-MRXNPFEDSA-N 1 0 459.432 4.316 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001300278241 1068065055 /nfs/dbraw/zinc/06/50/55/1068065055.db2.gz PPIDPXJDZFCEHT-UHFFFAOYSA-N 1 0 488.430 4.007 20 0 JIADRO O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001358326829 1068067257 /nfs/dbraw/zinc/06/72/57/1068067257.db2.gz USIWHQVQTWAPEK-UHFFFAOYSA-N 1 0 457.578 4.319 20 0 JIADRO Cc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c(I)cc1Cl ZINC001358424087 1068088520 /nfs/dbraw/zinc/08/85/20/1068088520.db2.gz SPUCOMASOTYWQA-AWEZNQCLSA-N 1 0 454.739 4.386 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438502 1068090912 /nfs/dbraw/zinc/09/09/12/1068090912.db2.gz KBLDKFNDVLQULM-CXAGYDPISA-N 1 0 452.190 4.462 20 0 JIADRO O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001358443602 1068092838 /nfs/dbraw/zinc/09/28/38/1068092838.db2.gz KOQNSTLSMARVFB-LJQANCHMSA-N 1 0 451.493 4.220 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300290173 1068093467 /nfs/dbraw/zinc/09/34/67/1068093467.db2.gz IPJAXOJNDFZXCB-OAQYLSRUSA-N 1 0 471.646 4.136 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001200332745 1068098705 /nfs/dbraw/zinc/09/87/05/1068098705.db2.gz JPPPLVKJLBXMKS-UHFFFAOYSA-N 1 0 466.688 4.190 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200339382 1068136300 /nfs/dbraw/zinc/13/63/00/1068136300.db2.gz RFRKZHKNIMAEBE-KRWDZBQOSA-N 1 0 453.052 4.409 20 0 JIADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000493414695 1068139065 /nfs/dbraw/zinc/13/90/65/1068139065.db2.gz YRWZAPREOUEFRN-IBGZPJMESA-N 1 0 450.674 4.275 20 0 JIADRO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C ZINC001473431495 1068172353 /nfs/dbraw/zinc/17/23/53/1068172353.db2.gz FMONWWZNEGVOFV-UHFFFAOYSA-N 1 0 452.473 4.305 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cc(C(F)(F)F)ncn4)cc3)CC2)c1 ZINC001353472153 1068175001 /nfs/dbraw/zinc/17/50/01/1068175001.db2.gz ZIPKWGIFMWNROB-UHFFFAOYSA-N 1 0 455.484 4.378 20 0 JIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC001200356024 1068214254 /nfs/dbraw/zinc/21/42/54/1068214254.db2.gz PBAHTSFETPQMCS-UHFFFAOYSA-N 1 0 454.464 4.316 20 0 JIADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514069517 1068252186 /nfs/dbraw/zinc/25/21/86/1068252186.db2.gz DNMOBRHPHOCJBW-INIZCTEOSA-N 1 0 455.550 4.175 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)NCCNc2nc3ccccc3s2)c1 ZINC000517533048 1068296525 /nfs/dbraw/zinc/29/65/25/1068296525.db2.gz PFBCTVNECQIJKW-UHFFFAOYSA-N 1 0 466.611 4.344 20 0 JIADRO C[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1 ZINC001353538836 1068304226 /nfs/dbraw/zinc/30/42/26/1068304226.db2.gz QKADABCOSKLRAB-LXGWOEDASA-N 1 0 454.014 4.373 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCC(C)C)[NH+]2CCCC2)c1 ZINC001300335626 1068308622 /nfs/dbraw/zinc/30/86/22/1068308622.db2.gz UTYPJXGYTXVLCJ-HSZRJFAPSA-N 1 0 451.619 4.007 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[C@@H](OCC(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335821 1068309233 /nfs/dbraw/zinc/30/92/33/1068309233.db2.gz WSJAPWWFTRBIJA-DNQXCXABSA-N 1 0 455.647 4.499 20 0 JIADRO C[C@@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000518683162 1068309351 /nfs/dbraw/zinc/30/93/51/1068309351.db2.gz KMVVGZPWGWAJCW-OAHLLOKOSA-N 1 0 472.565 4.042 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CC2CCOCC2)[NH+](C)C)c1 ZINC001300338547 1068317158 /nfs/dbraw/zinc/31/71/58/1068317158.db2.gz CKTDROQGIWWAFY-HSZRJFAPSA-N 1 0 469.655 4.105 20 0 JIADRO C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165650 1068321231 /nfs/dbraw/zinc/32/12/31/1068321231.db2.gz VVCMXDUJWDYNDO-DNVCBOLYSA-N 1 0 457.600 4.292 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@H](C)CC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300340512 1068324061 /nfs/dbraw/zinc/32/40/61/1068324061.db2.gz MEBKACDURSMNFZ-DDZLNHKNSA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300340729 1068324581 /nfs/dbraw/zinc/32/45/81/1068324581.db2.gz OCEOPKDNPGLUSH-GOTSBHOMSA-N 1 0 468.602 4.072 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC([C@H]4CCOC4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300341496 1068328899 /nfs/dbraw/zinc/32/88/99/1068328899.db2.gz RSTABMABUNPHTP-GMAHTHKFSA-N 1 0 455.647 4.140 20 0 JIADRO C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521179831 1068330580 /nfs/dbraw/zinc/33/05/80/1068330580.db2.gz HRKJOICJHBMCID-XLIONFOSSA-N 1 0 453.637 4.022 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC(F)(F)F)n2CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001300344160 1068337381 /nfs/dbraw/zinc/33/73/81/1068337381.db2.gz WFVVTVAMXPKABE-UHFFFAOYSA-N 1 0 460.504 4.264 20 0 JIADRO COc1ccccc1Nc1nnc(SCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000524512021 1068353317 /nfs/dbraw/zinc/35/33/17/1068353317.db2.gz SVDVKICLHVZZPB-UHFFFAOYSA-N 1 0 483.663 4.425 20 0 JIADRO O[C@H](C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)c1cccc(Br)c1 ZINC001474122287 1068356371 /nfs/dbraw/zinc/35/63/71/1068356371.db2.gz BZKYBPRHIMMFTE-LJQANCHMSA-N 1 0 450.764 4.201 20 0 JIADRO Cc1ccc(Oc2cc(Br)ccc2C[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC001474122877 1068356539 /nfs/dbraw/zinc/35/65/39/1068356539.db2.gz OBTNKVLHPRBPTM-UHFFFAOYSA-N 1 0 450.373 4.198 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300350573 1068360407 /nfs/dbraw/zinc/36/04/07/1068360407.db2.gz ISFDSUHXPWBEHI-KDURUIRLSA-N 1 0 455.628 4.151 20 0 JIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3cnc(NC(=O)OC(C)(C)C)s3)CC2)cc1 ZINC001474153976 1068360440 /nfs/dbraw/zinc/36/04/40/1068360440.db2.gz ZQAOAOBTNUQHFD-UHFFFAOYSA-N 1 0 459.616 4.203 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001474154100 1068360962 /nfs/dbraw/zinc/36/09/62/1068360962.db2.gz NUDMPAWRWOMUIO-PSWRPDDJSA-N 1 0 466.569 4.390 20 0 JIADRO Brc1ccc(-c2nnc(N3CCSCC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001358869119 1068362501 /nfs/dbraw/zinc/36/25/01/1068362501.db2.gz ZXYVZLLUELVHKI-UHFFFAOYSA-N 1 0 450.450 4.137 20 0 JIADRO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001474154552 1068364431 /nfs/dbraw/zinc/36/44/31/1068364431.db2.gz HSMJAQAFINQLRV-OJLMNSMJSA-N 1 0 456.652 4.455 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300353887 1068371216 /nfs/dbraw/zinc/37/12/16/1068371216.db2.gz TXUHADKBFDCXBS-HXUWFJFHSA-N 1 0 468.671 4.457 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300370122 1068419037 /nfs/dbraw/zinc/41/90/37/1068419037.db2.gz UMUQXJXVOYRXTI-NZQKXSOJSA-N 1 0 455.647 4.327 20 0 JIADRO Cc1cccc(C(C)C)c1NC(=S)N[C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001200410810 1068433062 /nfs/dbraw/zinc/43/30/62/1068433062.db2.gz NHVKKNULLFJPCN-OAQYLSRUSA-N 1 0 452.668 4.220 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300377430 1068456747 /nfs/dbraw/zinc/45/67/47/1068456747.db2.gz UWUXHPGGYBTGMS-QHCPKHFHSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)c1 ZINC001300377765 1068457816 /nfs/dbraw/zinc/45/78/16/1068457816.db2.gz KWTKAOMCBZEHKF-QGZVFWFLSA-N 1 0 455.550 4.271 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001300380862 1068468793 /nfs/dbraw/zinc/46/87/93/1068468793.db2.gz NLFJIHAIYRVFMH-REWPJTCUSA-N 1 0 455.647 4.470 20 0 JIADRO O=C(c1cccnc1)N1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC001200421962 1068476850 /nfs/dbraw/zinc/47/68/50/1068476850.db2.gz SDDQVHLULNHTRW-UHFFFAOYSA-N 1 0 498.096 4.089 20 0 JIADRO CC(C)(C)OC(=O)N1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)c2cc(F)ccc21 ZINC001200423677 1068487666 /nfs/dbraw/zinc/48/76/66/1068487666.db2.gz RERAIVNNZPNXLK-UHFFFAOYSA-N 1 0 476.662 4.275 20 0 JIADRO COc1cccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300388387 1068496836 /nfs/dbraw/zinc/49/68/36/1068496836.db2.gz GFPBGQOCRWWMOK-XXBNENTESA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300390553 1068506668 /nfs/dbraw/zinc/50/66/68/1068506668.db2.gz ZKDPNFXLPJRHEQ-UGKGYDQZSA-N 1 0 494.606 4.147 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(Cc2ccncc2)C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200431777 1068518391 /nfs/dbraw/zinc/51/83/91/1068518391.db2.gz MOJUWCSIKFLUNB-HZCBDIJESA-N 1 0 475.703 4.080 20 0 JIADRO COc1cccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001300395588 1068531040 /nfs/dbraw/zinc/53/10/40/1068531040.db2.gz QLDFXGHAQWIHPG-UTKZUKDTSA-N 1 0 455.628 4.322 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([C@@H](NC(=S)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001200442579 1068563638 /nfs/dbraw/zinc/56/36/38/1068563638.db2.gz MLMOQJJAZSBLIN-QFIPXVFZSA-N 1 0 460.688 4.325 20 0 JIADRO COc1cccc(C2CCN(c3nnc(-c4cnn(C)c4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001300405439 1068566878 /nfs/dbraw/zinc/56/68/78/1068566878.db2.gz AHFOPJJQELGRRM-UHFFFAOYSA-N 1 0 465.646 4.190 20 0 JIADRO CCCCNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200458171 1068627424 /nfs/dbraw/zinc/62/74/24/1068627424.db2.gz GNPFSTUJWLQKGL-QFIPXVFZSA-N 1 0 474.715 4.400 20 0 JIADRO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)c1OC ZINC001300428408 1068672120 /nfs/dbraw/zinc/67/21/20/1068672120.db2.gz VBIGXQJDEJJYGT-UHFFFAOYSA-N 1 0 485.673 4.013 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437338 1068701439 /nfs/dbraw/zinc/70/14/39/1068701439.db2.gz NSEVHZDSENSVNH-AWRGLXIESA-N 1 0 485.673 4.093 20 0 JIADRO COc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001300437359 1068701786 /nfs/dbraw/zinc/70/17/86/1068701786.db2.gz OFSNXYGMMIBQTB-GRGXKFILSA-N 1 0 498.672 4.073 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001300438449 1068705749 /nfs/dbraw/zinc/70/57/49/1068705749.db2.gz BBXRVMFYXSOSSV-HXUWFJFHSA-N 1 0 472.634 4.240 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001300440770 1068713854 /nfs/dbraw/zinc/71/38/54/1068713854.db2.gz WKUVDTNFZFUAJK-UHFFFAOYSA-N 1 0 460.642 4.071 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(F)cc(Br)c2C)c1 ZINC001353886263 1068721423 /nfs/dbraw/zinc/72/14/23/1068721423.db2.gz XAAYQVGITAJFOM-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1OC ZINC001200511781 1068800176 /nfs/dbraw/zinc/80/01/76/1068800176.db2.gz JFVPSKMHAXJWSE-CEWLAPEOSA-N 1 0 459.681 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300471183 1068812489 /nfs/dbraw/zinc/81/24/89/1068812489.db2.gz SUKZWTQEINLVFT-FGZHOGPDSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300471164 1068812531 /nfs/dbraw/zinc/81/25/31/1068812531.db2.gz ZMFIKKYQWHABKD-SFHVURJKSA-N 1 0 472.037 4.097 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300474156 1068820314 /nfs/dbraw/zinc/82/03/14/1068820314.db2.gz VEKZUCSPBBKGIE-YPAWHYETSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300476511 1068826485 /nfs/dbraw/zinc/82/64/85/1068826485.db2.gz ZFGBKUZBNSRLQI-IBGZPJMESA-N 1 0 454.644 4.354 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492566660 1068827734 /nfs/dbraw/zinc/82/77/34/1068827734.db2.gz UFFPUHHJYMXXQH-UKILVPOCSA-N 1 0 480.701 4.363 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492566661 1068827767 /nfs/dbraw/zinc/82/77/67/1068827767.db2.gz UFFPUHHJYMXXQH-ZCYQVOJMSA-N 1 0 480.701 4.363 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300480960 1068834469 /nfs/dbraw/zinc/83/44/69/1068834469.db2.gz DPJWSZQQDPNLCI-FQEVSTJZSA-N 1 0 493.574 4.422 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001492567479 1068834489 /nfs/dbraw/zinc/83/44/89/1068834489.db2.gz BGRKLWZMRMVQFC-FQEVSTJZSA-N 1 0 468.646 4.043 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300485637 1068845029 /nfs/dbraw/zinc/84/50/29/1068845029.db2.gz IOOBNSGGLCYDEI-UHFFFAOYSA-N 1 0 455.647 4.065 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300486417 1068847430 /nfs/dbraw/zinc/84/74/30/1068847430.db2.gz WZFOXJRWSYDKSX-FGZHOGPDSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300492190 1068857849 /nfs/dbraw/zinc/85/78/49/1068857849.db2.gz QMOBFHAKIMSPEB-QGZVFWFLSA-N 1 0 480.440 4.090 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300492309 1068858255 /nfs/dbraw/zinc/85/82/55/1068858255.db2.gz OURXIWJEXPCHHU-MBSDFSHPSA-N 1 0 495.590 4.358 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300494154 1068861933 /nfs/dbraw/zinc/86/19/33/1068861933.db2.gz LGKKXZUCMRKLMV-RTBURBONSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300496236 1068864517 /nfs/dbraw/zinc/86/45/17/1068864517.db2.gz GFVXNWMACBVLRG-BKMJKUGQSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001300500712 1068869828 /nfs/dbraw/zinc/86/98/28/1068869828.db2.gz IBJMAZOTHHNQKP-IBGZPJMESA-N 1 0 481.563 4.377 20 0 JIADRO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001359169281 1068880173 /nfs/dbraw/zinc/88/01/73/1068880173.db2.gz BCXZECVESCIUHA-RCZVLFRGSA-N 1 0 478.685 4.393 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC(F)(F)Br ZINC001300510111 1068886348 /nfs/dbraw/zinc/88/63/48/1068886348.db2.gz GUMVSDJQSZTNMH-UHFFFAOYSA-N 1 0 470.362 4.006 20 0 JIADRO CCCS(=O)(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001200560140 1068891997 /nfs/dbraw/zinc/89/19/97/1068891997.db2.gz YCPCSCZBFVFMAW-UHFFFAOYSA-N 1 0 453.008 4.087 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300514112 1068895934 /nfs/dbraw/zinc/89/59/34/1068895934.db2.gz XHNYZSNNVFXJEQ-VQTJNVASSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300518906 1068904808 /nfs/dbraw/zinc/90/48/08/1068904808.db2.gz SZSZWELGOCQFEU-NJYVYQBISA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300522253 1068916605 /nfs/dbraw/zinc/91/66/05/1068916605.db2.gz YPXKMKCEMWVCFG-YLJYHZDGSA-N 1 0 459.545 4.450 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300524862 1068924974 /nfs/dbraw/zinc/92/49/74/1068924974.db2.gz NLUKPXIJIIHRKK-SIKLNZKXSA-N 1 0 460.582 4.312 20 0 JIADRO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529007 1068936133 /nfs/dbraw/zinc/93/61/33/1068936133.db2.gz LIKJFCHWJMEKJD-GMAHTHKFSA-N 1 0 456.533 4.167 20 0 JIADRO C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001354157321 1068937799 /nfs/dbraw/zinc/93/77/99/1068937799.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 1 0 457.618 4.338 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CCC[NH+]1CCC(C)CC1 ZINC001300537029 1068959935 /nfs/dbraw/zinc/95/99/35/1068959935.db2.gz ZKCBLQKSVPKMIO-UHFFFAOYSA-N 1 0 466.630 4.241 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492569204 1068967242 /nfs/dbraw/zinc/96/72/42/1068967242.db2.gz PHCXWFSQQVDQAF-VQTJNVASSA-N 1 0 466.596 4.303 20 0 JIADRO C[C@@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC001354196836 1068968277 /nfs/dbraw/zinc/96/82/77/1068968277.db2.gz SPBBRCOHRWHBCF-RYUDHWBXSA-N 1 0 454.274 4.303 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492569669 1068974331 /nfs/dbraw/zinc/97/43/31/1068974331.db2.gz DYFSRAQOTKPXHG-UHFFFAOYSA-N 1 0 468.646 4.089 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001492569697 1068975263 /nfs/dbraw/zinc/97/52/63/1068975263.db2.gz FRUIPVJAFMCVHZ-RUZDIDTESA-N 1 0 455.647 4.006 20 0 JIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@H]1c1cccs1 ZINC001354210051 1068980698 /nfs/dbraw/zinc/98/06/98/1068980698.db2.gz NIUZRZJIODGNJD-DJJJIMSYSA-N 1 0 450.395 4.449 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001354211727 1068981858 /nfs/dbraw/zinc/98/18/58/1068981858.db2.gz YVYCHXLWCBYTRP-HBGVWJBISA-N 1 0 459.612 4.375 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300548021 1068989173 /nfs/dbraw/zinc/98/91/73/1068989173.db2.gz LSNLDUBFDIOSEC-FQEVSTJZSA-N 1 0 455.647 4.146 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001492586464 1069003144 /nfs/dbraw/zinc/00/31/44/1069003144.db2.gz IHRVEDMHFBWYHY-JOCHJYFZSA-N 1 0 482.673 4.109 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492586490 1069003251 /nfs/dbraw/zinc/00/32/51/1069003251.db2.gz JFKGZFWJXNMMDE-GMAHTHKFSA-N 1 0 492.634 4.371 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492586489 1069003271 /nfs/dbraw/zinc/00/32/71/1069003271.db2.gz JFKGZFWJXNMMDE-GGAORHGYSA-N 1 0 492.634 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001300556778 1069014582 /nfs/dbraw/zinc/01/45/82/1069014582.db2.gz GDOVIHNRFBUAIZ-QKDPSFTKSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300558181 1069019753 /nfs/dbraw/zinc/01/97/53/1069019753.db2.gz VVUUPJCKBSEJPG-JOCHJYFZSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1nccs1 ZINC001492587213 1069020194 /nfs/dbraw/zinc/02/01/94/1069020194.db2.gz IMKOUUSYOGPOGC-UHFFFAOYSA-N 1 0 452.672 4.435 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587399 1069024417 /nfs/dbraw/zinc/02/44/17/1069024417.db2.gz OMZJDFNWGMQKIM-AREMUKBSSA-N 1 0 496.744 4.235 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@](C)(O)C(C)C ZINC001492587589 1069026410 /nfs/dbraw/zinc/02/64/10/1069026410.db2.gz WFLVBANPWZRVSS-SANMLTNESA-N 1 0 467.683 4.011 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300562327 1069036635 /nfs/dbraw/zinc/03/66/35/1069036635.db2.gz JKBUZFBDHMONBN-GJZUVCINSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001492572903 1069047755 /nfs/dbraw/zinc/04/77/55/1069047755.db2.gz KMSKXTSZPPQYHE-QFIPXVFZSA-N 1 0 475.641 4.347 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482081 1069050248 /nfs/dbraw/zinc/05/02/48/1069050248.db2.gz PUJYMLDHTVOWNH-FCHUYYIVSA-N 1 0 485.510 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482604 1069051956 /nfs/dbraw/zinc/05/19/56/1069051956.db2.gz RWYAJEVUZJTIKJ-IZLXSDGUSA-N 1 0 485.676 4.168 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482823 1069052013 /nfs/dbraw/zinc/05/20/13/1069052013.db2.gz TVRLXJFWLWHEOA-SFTDATJTSA-N 1 0 451.640 4.250 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849485950 1069052882 /nfs/dbraw/zinc/05/28/82/1069052882.db2.gz ZDSFXLBAOYCPTH-HLAWJBBLSA-N 1 0 451.640 4.250 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487894 1069053722 /nfs/dbraw/zinc/05/37/22/1069053722.db2.gz AYLRZVHURWLSHM-SJORKVTESA-N 1 0 464.422 4.448 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCc3ccccc3C[NH+]3CCCCC3)s2)c1 ZINC000504134642 1069056050 /nfs/dbraw/zinc/05/60/50/1069056050.db2.gz HDFNMAHKUPPRCT-UHFFFAOYSA-N 1 0 451.596 4.445 20 0 JIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849492403 1069059609 /nfs/dbraw/zinc/05/96/09/1069059609.db2.gz FAZGJGHCFOUQLQ-XZOQPEGZSA-N 1 0 475.641 4.166 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491871 1069060277 /nfs/dbraw/zinc/06/02/77/1069060277.db2.gz UYNBSCNUHYLYSZ-OALUTQOASA-N 1 0 469.611 4.013 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492034 1069060361 /nfs/dbraw/zinc/06/03/61/1069060361.db2.gz PKFOZJREXDFERE-ZWKOTPCHSA-N 1 0 461.538 4.127 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)[C@@H](c2cnn(C)c2)C1 ZINC000849492600 1069062703 /nfs/dbraw/zinc/06/27/03/1069062703.db2.gz SFFFXANDUANYRT-ODGPQVTHSA-N 1 0 492.664 4.420 20 0 JIADRO COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849493798 1069064773 /nfs/dbraw/zinc/06/47/73/1069064773.db2.gz ZVCAEEHJVSXGRS-HOTGVXAUSA-N 1 0 469.811 4.297 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300568369 1069066696 /nfs/dbraw/zinc/06/66/96/1069066696.db2.gz SHBILTSVAAGBTI-JOCHJYFZSA-N 1 0 497.713 4.027 20 0 JIADRO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849498578 1069070543 /nfs/dbraw/zinc/07/05/43/1069070543.db2.gz SDPLWJSSJGCWSE-LADGPHEKSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499611 1069071212 /nfs/dbraw/zinc/07/12/12/1069071212.db2.gz XGAKKWMAIOBLCR-CLJLJLNGSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](COc2ccccc2F)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849499741 1069071391 /nfs/dbraw/zinc/07/13/91/1069071391.db2.gz FHPQFHKEAZUCEZ-SONWIMMPSA-N 1 0 464.585 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072075 /nfs/dbraw/zinc/07/20/75/1069072075.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 1 0 491.705 4.211 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502318 1069073976 /nfs/dbraw/zinc/07/39/76/1069073976.db2.gz PVRRWKHHWOHNAH-PMACEKPBSA-N 1 0 470.511 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849502241 1069075859 /nfs/dbraw/zinc/07/58/59/1069075859.db2.gz ZKMWKBSYRKGVFA-CVEARBPZSA-N 1 0 458.456 4.076 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849502692 1069078731 /nfs/dbraw/zinc/07/87/31/1069078731.db2.gz DRGGTHIZFGZWNR-GOTSBHOMSA-N 1 0 477.609 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849504351 1069080494 /nfs/dbraw/zinc/08/04/94/1069080494.db2.gz OQQBZYTVOTZNSY-DQEYMECFSA-N 1 0 457.622 4.435 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503805 1069082518 /nfs/dbraw/zinc/08/25/18/1069082518.db2.gz LGUNPPYKTWRHNG-QUCCMNQESA-N 1 0 499.974 4.148 20 0 JIADRO Cc1ccccc1[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001492574755 1069083839 /nfs/dbraw/zinc/08/38/39/1069083839.db2.gz ZGLPADFFIZQENZ-LADGPHEKSA-N 1 0 469.674 4.254 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849505368 1069084250 /nfs/dbraw/zinc/08/42/50/1069084250.db2.gz SEFPZGZKGZCCNG-XZZVZQAVSA-N 1 0 461.610 4.085 20 0 JIADRO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505034 1069085359 /nfs/dbraw/zinc/08/53/59/1069085359.db2.gz RDDAHGCVQMFKEA-ZEQRLZLVSA-N 1 0 465.642 4.244 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001492574897 1069087885 /nfs/dbraw/zinc/08/78/85/1069087885.db2.gz CEEDRQLXTJIODM-RNWIMVQKSA-N 1 0 494.728 4.187 20 0 JIADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507022 1069087985 /nfs/dbraw/zinc/08/79/85/1069087985.db2.gz YTOFTEAKYLOFPA-OALUTQOASA-N 1 0 488.455 4.212 20 0 JIADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507023 1069088058 /nfs/dbraw/zinc/08/80/58/1069088058.db2.gz YTOFTEAKYLOFPA-RBUKOAKNSA-N 1 0 488.455 4.212 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849508187 1069088990 /nfs/dbraw/zinc/08/89/90/1069088990.db2.gz SQWWLOHDSHRDDC-XZOQPEGZSA-N 1 0 492.586 4.117 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511577 1069096503 /nfs/dbraw/zinc/09/65/03/1069096503.db2.gz ZVYNJUJLDKTRDA-ZEVJAHDQSA-N 1 0 470.621 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514171 1069097986 /nfs/dbraw/zinc/09/79/86/1069097986.db2.gz AEZWEHRWODGAJE-FTJBHMTQSA-N 1 0 463.601 4.040 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849516334 1069100801 /nfs/dbraw/zinc/10/08/01/1069100801.db2.gz JWHKMRRWGUBRQU-LOSJGSFVSA-N 1 0 456.594 4.271 20 0 JIADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849516214 1069101050 /nfs/dbraw/zinc/10/10/50/1069101050.db2.gz ORYKWJASEVTVPZ-GVAUOCQISA-N 1 0 482.669 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849516356 1069101075 /nfs/dbraw/zinc/10/10/75/1069101075.db2.gz KATNRGISYSDGMY-MSOLQXFVSA-N 1 0 475.424 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516293 1069101747 /nfs/dbraw/zinc/10/17/47/1069101747.db2.gz HMMCAVRMGFXUSW-QUURXOELSA-N 1 0 473.621 4.364 20 0 JIADRO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849516712 1069105315 /nfs/dbraw/zinc/10/53/15/1069105315.db2.gz ANUOAMVCCFIXME-WOJBJXKFSA-N 1 0 493.574 4.129 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517761 1069106100 /nfs/dbraw/zinc/10/61/00/1069106100.db2.gz VANWFBBMHDHOHJ-YADHBBJMSA-N 1 0 473.459 4.280 20 0 JIADRO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517850 1069106719 /nfs/dbraw/zinc/10/67/19/1069106719.db2.gz PIPMYIZILGYNCM-GOTSBHOMSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849517504 1069108091 /nfs/dbraw/zinc/10/80/91/1069108091.db2.gz CYMGCXPNLOGRKJ-XZOQPEGZSA-N 1 0 481.641 4.018 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849520426 1069111283 /nfs/dbraw/zinc/11/12/83/1069111283.db2.gz ZHDXHNBWLUSHDD-GOTSBHOMSA-N 1 0 458.566 4.318 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520092 1069111706 /nfs/dbraw/zinc/11/17/06/1069111706.db2.gz XRWZTLPVBKJHAA-PMACEKPBSA-N 1 0 455.006 4.231 20 0 JIADRO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849521234 1069112912 /nfs/dbraw/zinc/11/29/12/1069112912.db2.gz RNISFAGSBYQQTH-IZLXSDGUSA-N 1 0 490.648 4.480 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849522265 1069113944 /nfs/dbraw/zinc/11/39/44/1069113944.db2.gz KMYZYUONAFVIFA-VQTJNVASSA-N 1 0 452.628 4.050 20 0 JIADRO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849522086 1069114886 /nfs/dbraw/zinc/11/48/86/1069114886.db2.gz WZGICGUOHRKWKB-RPWUZVMVSA-N 1 0 486.620 4.279 20 0 JIADRO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@@H]1C ZINC000849522136 1069115219 /nfs/dbraw/zinc/11/52/19/1069115219.db2.gz XFCAILSBIGFZLR-JQIUZPNUSA-N 1 0 466.626 4.038 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521812 1069115858 /nfs/dbraw/zinc/11/58/58/1069115858.db2.gz VHYKHDOOADURSZ-NHCUHLMSSA-N 1 0 464.532 4.325 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300580961 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ZINC000849533361 1069139995 /nfs/dbraw/zinc/13/99/95/1069139995.db2.gz BCIAIQWQYPSJAY-RPBOFIJWSA-N 1 0 450.627 4.274 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)s2)c1 ZINC000504227538 1069145473 /nfs/dbraw/zinc/14/54/73/1069145473.db2.gz HYXHDAUAFABUHD-UHFFFAOYSA-N 1 0 451.596 4.232 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC23CCOCC3)cn1 ZINC000849536007 1069153822 /nfs/dbraw/zinc/15/38/22/1069153822.db2.gz TXTTWAVHWUBQMC-VWLOTQADSA-N 1 0 450.627 4.131 20 0 JIADRO COc1ccccc1CN(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300592423 1069160077 /nfs/dbraw/zinc/16/00/77/1069160077.db2.gz UQFLZLOFBOUTRX-UHFFFAOYSA-N 1 0 455.647 4.256 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300594683 1069167087 /nfs/dbraw/zinc/16/70/87/1069167087.db2.gz JOOYKABRAMZAEB-PMACEKPBSA-N 1 0 455.628 4.182 20 0 JIADRO CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001300596071 1069173157 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CC(C)[N@@H+]1CC[C@@H](C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849610545 1069266477 /nfs/dbraw/zinc/26/64/77/1069266477.db2.gz KOMMQCDGGDBALJ-IAGOWNOFSA-N 1 0 456.475 4.404 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC000849613503 1069274600 /nfs/dbraw/zinc/27/46/00/1069274600.db2.gz SNWUMQCKLWUBTQ-ZFWWWQNUSA-N 1 0 462.779 4.058 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300631811 1069281163 /nfs/dbraw/zinc/28/11/63/1069281163.db2.gz SKNKLZMMMMPGGW-RBUKOAKNSA-N 1 0 477.600 4.468 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=S)Nc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC001200685787 1069285848 /nfs/dbraw/zinc/28/58/48/1069285848.db2.gz GGVZJIOUNIDVDW-GOSISDBHSA-N 1 0 486.632 4.251 20 0 JIADRO COC(=O)c1cc(Cl)cc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001200691156 1069296761 /nfs/dbraw/zinc/29/67/61/1069296761.db2.gz KTZQGQOGGSHTQG-UHFFFAOYSA-N 1 0 459.974 4.319 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300638656 1069299380 /nfs/dbraw/zinc/29/93/80/1069299380.db2.gz ZDQIYNCDNJEOMC-OAQYLSRUSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001300640627 1069306598 /nfs/dbraw/zinc/30/65/98/1069306598.db2.gz QOSHPYBLFOQCAP-UHFFFAOYSA-N 1 0 483.657 4.161 20 0 JIADRO Cc1c(C(=O)Nc2c(C)cc(Br)cc2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001354532832 1069308326 /nfs/dbraw/zinc/30/83/26/1069308326.db2.gz FHEIYZIJYFSZIC-UHFFFAOYSA-N 1 0 454.372 4.195 20 0 JIADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(Cl)cc4)cc(c32)C1=O ZINC000028712280 563076869 /nfs/dbraw/zinc/07/68/69/563076869.db2.gz WHKGVDGSVQMIFC-UHFFFAOYSA-N 1 0 452.967 4.460 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388143 718802714 /nfs/dbraw/zinc/80/27/14/718802714.db2.gz VBEUBJMJYOIGEW-UHFFFAOYSA-N 1 0 450.917 4.144 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2c1C ZINC001164389362 718815496 /nfs/dbraw/zinc/81/54/96/718815496.db2.gz VKPOYJYBTKSLMB-HXUWFJFHSA-N 1 0 453.578 4.415 20 0 JIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)c1 ZINC001164406531 718864214 /nfs/dbraw/zinc/86/42/14/718864214.db2.gz HFKDDSVDMJRHNM-PKOBYXMFSA-N 1 0 469.680 4.220 20 0 JIADRO COc1ccc2nc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)nc(Cl)c2c1 ZINC001164413438 718881359 /nfs/dbraw/zinc/88/13/59/718881359.db2.gz IEYGAJZFHWCZFT-CQSZACIVSA-N 1 0 450.839 4.490 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164617435 719008739 /nfs/dbraw/zinc/00/87/39/719008739.db2.gz ODZOSJLVICYTCV-HTAPYJJXSA-N 1 0 482.934 4.117 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164617389 719011246 /nfs/dbraw/zinc/01/12/46/719011246.db2.gz NUWNQAPYFREGOU-LIRRHRJNSA-N 1 0 481.893 4.448 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC2)CC1 ZINC001164614504 719025925 /nfs/dbraw/zinc/02/59/25/719025925.db2.gz UAUOUUYUMKPOAX-UHFFFAOYSA-N 1 0 471.605 4.450 20 0 JIADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC(C2C[NH2+]C2)CC1 ZINC001164614464 719037346 /nfs/dbraw/zinc/03/73/46/719037346.db2.gz BUZCKHQKNSMCIF-UHFFFAOYSA-N 1 0 471.335 4.121 20 0 JIADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625237 719077262 /nfs/dbraw/zinc/07/72/62/719077262.db2.gz NACHKPUZDHRSEH-VAMGGRTRSA-N 1 0 452.990 4.280 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164630116 719090020 /nfs/dbraw/zinc/09/00/20/719090020.db2.gz VLBLTVOCMLJDKX-REWPJTCUSA-N 1 0 466.626 4.458 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)c32)C1 ZINC001164625948 719122362 /nfs/dbraw/zinc/12/23/62/719122362.db2.gz ZSDBXKCCCMKPLH-LMMKCTJWSA-N 1 0 457.663 4.315 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655770 719322462 /nfs/dbraw/zinc/32/24/62/719322462.db2.gz XWSNYJWAUQMELY-SHQCIBLASA-N 1 0 479.600 4.199 20 0 JIADRO CC(C)N(c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164662756 719345169 /nfs/dbraw/zinc/34/51/69/719345169.db2.gz RJKOGKGAGRICQT-UHFFFAOYSA-N 1 0 477.682 4.191 20 0 JIADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164669823 719439460 /nfs/dbraw/zinc/43/94/60/719439460.db2.gz MRZYDOOUGSWHRR-OALUTQOASA-N 1 0 452.649 4.382 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164681726 719617525 /nfs/dbraw/zinc/61/75/25/719617525.db2.gz AESAGPPPILANAB-UHFFFAOYSA-N 1 0 455.340 4.217 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccc(Cl)nc3)CC2)c2ccccc21 ZINC001164682662 719653881 /nfs/dbraw/zinc/65/38/81/719653881.db2.gz SRHXAPQLDGTJCZ-GOSISDBHSA-N 1 0 476.999 4.373 20 0 JIADRO Cc1nc2sccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684172 719655598 /nfs/dbraw/zinc/65/55/98/719655598.db2.gz WJSRBFCWWKCQMB-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cc(C4CC4)n3)CC2)c2ccccc21 ZINC001164681974 719670192 /nfs/dbraw/zinc/67/01/92/719670192.db2.gz OXBMCYFFKFOUKH-IBGZPJMESA-N 1 0 468.045 4.101 20 0 JIADRO Cc1csc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164680510 719676260 /nfs/dbraw/zinc/67/62/60/719676260.db2.gz GUZXUNSQGQIMPN-IBGZPJMESA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c2ccccc21 ZINC001164682917 719678425 /nfs/dbraw/zinc/67/84/25/719678425.db2.gz QCZSPQHWYKHLEL-JOCHJYFZSA-N 1 0 487.623 4.376 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164683578 719725187 /nfs/dbraw/zinc/72/51/87/719725187.db2.gz AUHXYPRTDFUJLR-UHFFFAOYSA-N 1 0 464.944 4.008 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(Cl)cc31)CC2 ZINC001164683720 719725279 /nfs/dbraw/zinc/72/52/79/719725279.db2.gz DCZVXFYOUBGONN-UHFFFAOYSA-N 1 0 480.012 4.140 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2c1 ZINC001164694572 719804894 /nfs/dbraw/zinc/80/48/94/719804894.db2.gz ZZGAEYKUZLASRK-UHFFFAOYSA-N 1 0 472.014 4.470 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(Cl)nc(N4CCOCC4)nc2Cl)CC3)cs1 ZINC001164691944 719810696 /nfs/dbraw/zinc/81/06/96/719810696.db2.gz BCBXTSZFXRKMFP-UHFFFAOYSA-N 1 0 483.469 4.020 20 0 JIADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)no1 ZINC001164691658 719813093 /nfs/dbraw/zinc/81/30/93/719813093.db2.gz JJRAKIMUMDJIMX-UHFFFAOYSA-N 1 0 452.584 4.030 20 0 JIADRO COC[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)Cc2cn(C)nc21 ZINC001164697330 719832444 /nfs/dbraw/zinc/83/24/44/719832444.db2.gz WKXCDMRVGVEUBL-NRFANRHFSA-N 1 0 494.039 4.240 20 0 JIADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698390 719895168 /nfs/dbraw/zinc/89/51/68/719895168.db2.gz SCWAGFQGRXKHDC-UHFFFAOYSA-N 1 0 451.592 4.344 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001164812081 720109411 /nfs/dbraw/zinc/10/94/11/720109411.db2.gz OLXOXWSPHHNHQE-CUBQBAPOSA-N 1 0 455.606 4.390 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815935 720110681 /nfs/dbraw/zinc/11/06/81/720110681.db2.gz XPWXRAQIQWGRCP-VFNWGFHPSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164718071 720116465 /nfs/dbraw/zinc/11/64/65/720116465.db2.gz RJWNGRVEOMICEY-LJQANCHMSA-N 1 0 466.960 4.105 20 0 JIADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc2ccccc21 ZINC001164719034 720116525 /nfs/dbraw/zinc/11/65/25/720116525.db2.gz UVYHXZGHGHAFLC-QFIPXVFZSA-N 1 0 474.605 4.314 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164719108 720116905 /nfs/dbraw/zinc/11/69/05/720116905.db2.gz WGEUOYOMKDPVSA-KRWDZBQOSA-N 1 0 454.924 4.322 20 0 JIADRO CCOc1cc2ncnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2cc1OCC ZINC001164714250 720119013 /nfs/dbraw/zinc/11/90/13/720119013.db2.gz BESMJMMECJTTLM-JOCHJYFZSA-N 1 0 491.636 4.330 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164719121 720122780 /nfs/dbraw/zinc/12/27/80/720122780.db2.gz WMQPDWNEWLKFOC-QHCPKHFHSA-N 1 0 470.061 4.233 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714254 720122853 /nfs/dbraw/zinc/12/28/53/720122853.db2.gz BEUPBVYOIUNOFX-RUZDIDTESA-N 1 0 482.632 4.382 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164712485 720134070 /nfs/dbraw/zinc/13/40/70/720134070.db2.gz MSRBKYFSVLLNPG-VWLOTQADSA-N 1 0 472.637 4.112 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164710495 720134401 /nfs/dbraw/zinc/13/44/01/720134401.db2.gz BYFRKEUHBDDULB-QGZVFWFLSA-N 1 0 486.394 4.317 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCC2 ZINC001164812104 720219033 /nfs/dbraw/zinc/21/90/33/720219033.db2.gz DQKMHYYWLJKBBO-UHFFFAOYSA-N 1 0 497.377 4.289 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3c(-c3ccccc3)n1)CCC2 ZINC001164813491 720222475 /nfs/dbraw/zinc/22/24/75/720222475.db2.gz MVVFWHMIBCPCRK-UHFFFAOYSA-N 1 0 454.578 4.104 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164823923 720304382 /nfs/dbraw/zinc/30/43/82/720304382.db2.gz QRYNAHJTJJBUSW-OALUTQOASA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164832000 720323030 /nfs/dbraw/zinc/32/30/30/720323030.db2.gz SSNJUYFTQJLLHD-OALUTQOASA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001164829421 720333103 /nfs/dbraw/zinc/33/31/03/720333103.db2.gz LUAFCWSTXKPRCY-RPWUZVMVSA-N 1 0 469.029 4.226 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164823241 720336286 /nfs/dbraw/zinc/33/62/86/720336286.db2.gz ABHUQCMMKVPNIF-HOTGVXAUSA-N 1 0 481.802 4.498 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164831178 720339387 /nfs/dbraw/zinc/33/93/87/720339387.db2.gz XXVFVDQUZCUZHM-RPBOFIJWSA-N 1 0 473.596 4.347 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164825005 720340201 /nfs/dbraw/zinc/34/02/01/720340201.db2.gz ILVUXKUBGNSQEB-DHIUTWEWSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164827452 720340541 /nfs/dbraw/zinc/34/05/41/720340541.db2.gz LNLFYQISCUUQOF-RTBURBONSA-N 1 0 496.027 4.315 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)CC1 ZINC001164827457 720346023 /nfs/dbraw/zinc/34/60/23/720346023.db2.gz LPXLWNBFDVNHJT-LEWJYISDSA-N 1 0 462.972 4.345 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830731 720346462 /nfs/dbraw/zinc/34/64/62/720346462.db2.gz WTNIEVUCMPWFHU-XZOQPEGZSA-N 1 0 468.045 4.325 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830721 720346546 /nfs/dbraw/zinc/34/65/46/720346546.db2.gz WTNIEVUCMPWFHU-DHIUTWEWSA-N 1 0 468.045 4.325 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164829242 720352734 /nfs/dbraw/zinc/35/27/34/720352734.db2.gz QYWXWAPHOQMZRH-UXHICEINSA-N 1 0 490.435 4.487 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164838473 720517935 /nfs/dbraw/zinc/51/79/35/720517935.db2.gz RIOVFRFOGFVMFZ-MDKPJZGXSA-N 1 0 460.960 4.402 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164730747 720519756 /nfs/dbraw/zinc/51/97/56/720519756.db2.gz SPABBOSGUUEWIR-INIZCTEOSA-N 1 0 471.964 4.112 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)C1 ZINC001164731805 720521027 /nfs/dbraw/zinc/52/10/27/720521027.db2.gz AUINFNKRCKKKFO-SFHVURJKSA-N 1 0 468.001 4.232 20 0 JIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164731954 720521746 /nfs/dbraw/zinc/52/17/46/720521746.db2.gz BMBPMCXCDZWPQP-INIZCTEOSA-N 1 0 489.954 4.128 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001164734194 720524762 /nfs/dbraw/zinc/52/47/62/720524762.db2.gz NQFRUOGLINRNHJ-OAQYLSRUSA-N 1 0 463.589 4.482 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164842028 720532080 /nfs/dbraw/zinc/53/20/80/720532080.db2.gz WEHZURIXKKLNAS-FKBYEOEOSA-N 1 0 451.018 4.295 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838022 720554316 /nfs/dbraw/zinc/55/43/16/720554316.db2.gz NIRHQFJNLTZQKP-VTZPFEBOSA-N 1 0 473.600 4.193 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164836728 720580864 /nfs/dbraw/zinc/58/08/64/720580864.db2.gz GPIYRUCKXLSWTF-PUHATCMVSA-N 1 0 451.018 4.295 20 0 JIADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164841145 720591612 /nfs/dbraw/zinc/59/16/12/720591612.db2.gz RIHWXRUKMYGUFK-FUHIMQAGSA-N 1 0 481.975 4.031 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839707 720597179 /nfs/dbraw/zinc/59/71/79/720597179.db2.gz OCABFABCNUJAQO-SVFBPWRDSA-N 1 0 450.656 4.453 20 0 JIADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164839488 720601167 /nfs/dbraw/zinc/60/11/67/720601167.db2.gz NKZDIFDFYWOWDB-QWFCFKBJSA-N 1 0 450.656 4.317 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843551 720610231 /nfs/dbraw/zinc/61/02/31/720610231.db2.gz XXQGASINUZWXBV-QHAWAJNXSA-N 1 0 459.623 4.328 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@@H]21 ZINC001164843548 720610326 /nfs/dbraw/zinc/61/03/26/720610326.db2.gz XXQGASINUZWXBV-ACRUOGEOSA-N 1 0 459.623 4.328 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838742 720615977 /nfs/dbraw/zinc/61/59/77/720615977.db2.gz LKKLTSTWSKOCRN-XGHQBKJUSA-N 1 0 490.986 4.411 20 0 JIADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837232 720633773 /nfs/dbraw/zinc/63/37/73/720633773.db2.gz HRXGCGGTJZXOEB-YZUZCNPQSA-N 1 0 462.598 4.160 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164837008 720674560 /nfs/dbraw/zinc/67/45/60/720674560.db2.gz AQXVLBOALMYBPH-GOSISDBHSA-N 1 0 479.955 4.326 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164843407 720677925 /nfs/dbraw/zinc/67/79/25/720677925.db2.gz PTDJWRWQHPAZTA-HXUWFJFHSA-N 1 0 453.587 4.084 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ncn3Cc1ccccc1F)CC2 ZINC001164841212 720699809 /nfs/dbraw/zinc/69/98/09/720699809.db2.gz IHYDEFQNLUUYBO-QHCPKHFHSA-N 1 0 486.595 4.274 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842322 720704003 /nfs/dbraw/zinc/70/40/03/720704003.db2.gz YGNBZUWKWGAIPA-DEOSSOPVSA-N 1 0 487.648 4.276 20 0 JIADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840885 720704799 /nfs/dbraw/zinc/70/47/99/720704799.db2.gz RKOJPOACCYTECU-OAQYLSRUSA-N 1 0 494.636 4.113 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164840333 720713747 /nfs/dbraw/zinc/71/37/47/720713747.db2.gz PKGOQJPOMUMGBR-QHCPKHFHSA-N 1 0 472.589 4.175 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164841779 720716915 /nfs/dbraw/zinc/71/69/15/720716915.db2.gz WXNXCWJNUFWBDR-IBGZPJMESA-N 1 0 499.040 4.099 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164736880 720718615 /nfs/dbraw/zinc/71/86/15/720718615.db2.gz CADZPVSSENPBCJ-TZIWHRDSSA-N 1 0 488.979 4.091 20 0 JIADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744288 720719310 /nfs/dbraw/zinc/71/93/10/720719310.db2.gz ZBJSZYOQGAOLQF-VQTJNVASSA-N 1 0 458.953 4.082 20 0 JIADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737929 720719327 /nfs/dbraw/zinc/71/93/27/720719327.db2.gz HTQJQSBIQFSEMS-WOJBJXKFSA-N 1 0 458.953 4.082 20 0 JIADRO c1sc2nc(C3CC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738511 720782723 /nfs/dbraw/zinc/78/27/23/720782723.db2.gz FVYBXNCJJZSWBG-UXHICEINSA-N 1 0 470.602 4.368 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853840 720844775 /nfs/dbraw/zinc/84/47/75/720844775.db2.gz PSFZVPWJKJAIPM-WZONZLPQSA-N 1 0 470.976 4.263 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746597 720845017 /nfs/dbraw/zinc/84/50/17/720845017.db2.gz PBQBFQWXWGFCCB-VYKTZEHYSA-N 1 0 479.632 4.192 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746595 720845204 /nfs/dbraw/zinc/84/52/04/720845204.db2.gz PBQBFQWXWGFCCB-IBGGVINMSA-N 1 0 479.632 4.192 20 0 JIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746064 720855488 /nfs/dbraw/zinc/85/54/88/720855488.db2.gz FOCIQFWBPJTKOA-OXFYSEKESA-N 1 0 473.959 4.192 20 0 JIADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747015 720856332 /nfs/dbraw/zinc/85/63/32/720856332.db2.gz HMFGEIPEUOMPJO-KTIWRFAQSA-N 1 0 492.071 4.309 20 0 JIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750238 720858617 /nfs/dbraw/zinc/85/86/17/720858617.db2.gz OXGYTWQXXLKQLG-QWFCFKBJSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164852007 720862576 /nfs/dbraw/zinc/86/25/76/720862576.db2.gz BOGYQDJMJOIVSU-XXBNENTESA-N 1 0 452.986 4.124 20 0 JIADRO FC(F)(c1cccnc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749652 720870668 /nfs/dbraw/zinc/87/06/68/720870668.db2.gz HPHZQAXDCOLHJB-OFNKIYASSA-N 1 0 462.972 4.430 20 0 JIADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753011 720876437 /nfs/dbraw/zinc/87/64/37/720876437.db2.gz OLRMWCQKBXWGLH-YWEHKCAJSA-N 1 0 478.637 4.187 20 0 JIADRO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757868 720889759 /nfs/dbraw/zinc/88/97/59/720889759.db2.gz VZUMKYAGLCJAFX-CVDCTZTESA-N 1 0 460.047 4.002 20 0 JIADRO CCOc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164757420 720893317 /nfs/dbraw/zinc/89/33/17/720893317.db2.gz ULADAOKFOUYDCE-LXFBAYGMSA-N 1 0 473.621 4.179 20 0 JIADRO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12 ZINC001164755390 720893710 /nfs/dbraw/zinc/89/37/10/720893710.db2.gz LUJSOLDSCHZNBE-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164750966 720894100 /nfs/dbraw/zinc/89/41/00/720894100.db2.gz CITOTXZXTSATBB-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc(C)c2c1 ZINC001164756565 720895003 /nfs/dbraw/zinc/89/50/03/720895003.db2.gz QILGXOAMKOHXQN-NEKDWFFYSA-N 1 0 473.621 4.097 20 0 JIADRO c1ccc(COc2cnnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164758468 720895291 /nfs/dbraw/zinc/89/52/91/720895291.db2.gz YISHVVZCINPZGW-LITSAYRRSA-N 1 0 485.632 4.206 20 0 JIADRO COc1cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1OC ZINC001164757834 720895906 /nfs/dbraw/zinc/89/59/06/720895906.db2.gz VUEJIVALBAQHBB-OUTSHDOLSA-N 1 0 488.632 4.402 20 0 JIADRO Cc1nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758508 720896862 /nfs/dbraw/zinc/89/68/62/720896862.db2.gz YVQIVICUIOQFGD-URXFXBBRSA-N 1 0 492.014 4.442 20 0 JIADRO CCCN(CCC)c1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757872 720898853 /nfs/dbraw/zinc/89/88/53/720898853.db2.gz WAIBCKXVBKRHFN-LEAFIULHSA-N 1 0 478.685 4.253 20 0 JIADRO CC(C)COc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756278 720902369 /nfs/dbraw/zinc/90/23/69/720902369.db2.gz PAFRFGRPMYOBPI-SQHAQQRYSA-N 1 0 450.627 4.267 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753991 720902561 /nfs/dbraw/zinc/90/25/61/720902561.db2.gz IBLCTOLUHGCRJF-YZNIXAGQSA-N 1 0 498.675 4.360 20 0 JIADRO COc1ccccc1-c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748486 720915830 /nfs/dbraw/zinc/91/58/30/720915830.db2.gz GFKQBGFQKNLVFL-PWUYWRBVSA-N 1 0 485.632 4.302 20 0 JIADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753621 720916099 /nfs/dbraw/zinc/91/60/99/720916099.db2.gz RPWUEEREVIYCEU-BKMJKUGQSA-N 1 0 468.045 4.466 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748069 720916436 /nfs/dbraw/zinc/91/64/36/720916436.db2.gz FMCLANLOPUPFDG-OUTSHDOLSA-N 1 0 486.616 4.172 20 0 JIADRO Fc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753253 720916499 /nfs/dbraw/zinc/91/64/99/720916499.db2.gz REHKUZSDSQKVCG-RBJSKKJNSA-N 1 0 473.596 4.433 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748070 720916525 /nfs/dbraw/zinc/91/65/25/720916525.db2.gz FMCLANLOPUPFDG-PWUYWRBVSA-N 1 0 486.616 4.172 20 0 JIADRO Fc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752738 720921772 /nfs/dbraw/zinc/92/17/72/720921772.db2.gz OPHRSFBKONWZEC-NEKDWFFYSA-N 1 0 473.596 4.433 20 0 JIADRO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164752304 720924729 /nfs/dbraw/zinc/92/47/29/720924729.db2.gz NVQSWABWSHVTEN-IADCTJSHSA-N 1 0 486.616 4.172 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cncc(N4CCCCCC4)n2)C3)c1 ZINC001164753789 720926225 /nfs/dbraw/zinc/92/62/25/720926225.db2.gz SUZFWAWTLSTXSA-LEAFIULHSA-N 1 0 476.669 4.007 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750184 720933696 /nfs/dbraw/zinc/93/36/96/720933696.db2.gz JQXDTBNTQHGSEC-RBISFHTESA-N 1 0 457.622 4.202 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)[C@@H]2C ZINC001164862758 720977957 /nfs/dbraw/zinc/97/79/57/720977957.db2.gz UHMLQJVHCDHKCH-OAHLLOKOSA-N 1 0 491.036 4.484 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@H]2C ZINC001164858126 720999690 /nfs/dbraw/zinc/99/96/90/720999690.db2.gz HLOOWYPWEUVRSP-HNNXBMFYSA-N 1 0 461.948 4.355 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(S(=O)(=O)N5CCCC5)ccn4)CC3)CC2)cc1 ZINC001164759147 721046457 /nfs/dbraw/zinc/04/64/57/721046457.db2.gz HAIMADWKHGIJEU-UHFFFAOYSA-N 1 0 468.667 4.057 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164864543 721088763 /nfs/dbraw/zinc/08/87/63/721088763.db2.gz GETQJVWXKRAPOP-SFTDATJTSA-N 1 0 481.959 4.001 20 0 JIADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865706 721097928 /nfs/dbraw/zinc/09/79/28/721097928.db2.gz OUEGAAXJURTGIE-DLBZAZTESA-N 1 0 480.346 4.356 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)nc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164772244 721110028 /nfs/dbraw/zinc/11/00/28/721110028.db2.gz UQKWGDCKDJLQCB-HUUCEWRRSA-N 1 0 467.351 4.173 20 0 JIADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164879936 721123815 /nfs/dbraw/zinc/12/38/15/721123815.db2.gz VMLURESJAFYRDW-FTJBHMTQSA-N 1 0 472.589 4.059 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164771320 721141241 /nfs/dbraw/zinc/14/12/41/721141241.db2.gz SAAVVMUXXYQOBN-HUUCEWRRSA-N 1 0 467.351 4.173 20 0 JIADRO Fc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164878366 721143892 /nfs/dbraw/zinc/14/38/92/721143892.db2.gz PXKXQSKEZLFEPM-GOTSBHOMSA-N 1 0 455.537 4.311 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877036 721144802 /nfs/dbraw/zinc/14/48/02/721144802.db2.gz OETRALBQHGDDIX-YADHBBJMSA-N 1 0 480.682 4.025 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164764302 721147031 /nfs/dbraw/zinc/14/70/31/721147031.db2.gz HOUNUMZFRFHMIX-GJZGRUSLSA-N 1 0 467.351 4.173 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880693 721150621 /nfs/dbraw/zinc/15/06/21/721150621.db2.gz XCRGIUOBYSXGQX-WOJBJXKFSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880733 721171992 /nfs/dbraw/zinc/17/19/92/721171992.db2.gz XJEHEBHANDRTMX-SFTDATJTSA-N 1 0 471.939 4.217 20 0 JIADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164878627 721184333 /nfs/dbraw/zinc/18/43/33/721184333.db2.gz QTNPKABRCYXMFK-AZUAARDMSA-N 1 0 472.376 4.450 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164771902 721204890 /nfs/dbraw/zinc/20/48/90/721204890.db2.gz RWUVSYINHVCOFH-CVEARBPZSA-N 1 0 464.973 4.095 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164870126 721225466 /nfs/dbraw/zinc/22/54/66/721225466.db2.gz FRSBNYLCDGNVAP-BJKOFHAPSA-N 1 0 479.669 4.115 20 0 JIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164760206 721247850 /nfs/dbraw/zinc/24/78/50/721247850.db2.gz DCVOQCPEJSVQAE-RTBURBONSA-N 1 0 488.970 4.042 20 0 JIADRO Cc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777363 721344050 /nfs/dbraw/zinc/34/40/50/721344050.db2.gz GLNMKVGJZUIMRO-JOCHJYFZSA-N 1 0 462.019 4.377 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779034 721349520 /nfs/dbraw/zinc/34/95/20/721349520.db2.gz PCLSWRNYVCXKNH-DEOSSOPVSA-N 1 0 471.989 4.016 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779035 721349793 /nfs/dbraw/zinc/34/97/93/721349793.db2.gz PCLSWRNYVCXKNH-XMMPIXPASA-N 1 0 471.989 4.016 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894587 721396349 /nfs/dbraw/zinc/39/63/49/721396349.db2.gz ZEPQCJJEGMNQRT-KOSHJBKYSA-N 1 0 469.680 4.185 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885714 721419712 /nfs/dbraw/zinc/41/97/12/721419712.db2.gz HBUMESHUSXEVER-AUSIDOKSSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897837 721426384 /nfs/dbraw/zinc/42/63/84/721426384.db2.gz UUKFGADQZKPJFH-FDDCHVKYSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896058 721431809 /nfs/dbraw/zinc/43/18/09/721431809.db2.gz QJTCUCYYAHAEJI-LIRRHRJNSA-N 1 0 483.818 4.352 20 0 JIADRO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1 ZINC001164894261 721432120 /nfs/dbraw/zinc/43/21/20/721432120.db2.gz LHBKLHHQSSBNGE-FUFSCUOVSA-N 1 0 471.649 4.371 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@@H](C[NH+]4CCN(C)CC4)O5)c23)cc1 ZINC001164893168 721433075 /nfs/dbraw/zinc/43/30/75/721433075.db2.gz JNFOKKIJIGVMKV-WXVAWEFUSA-N 1 0 493.677 4.132 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nnc(-c5ccc(F)cc5)c5ccccc54)C3)O2)CC1 ZINC001164897754 721434851 /nfs/dbraw/zinc/43/48/51/721434851.db2.gz UPQLJUHTADVLHZ-NEKDWFFYSA-N 1 0 475.612 4.201 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899276 721436433 /nfs/dbraw/zinc/43/64/33/721436433.db2.gz YGPOTVSMZYXWHD-HFZDXXHNSA-N 1 0 463.651 4.124 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897608 721436494 /nfs/dbraw/zinc/43/64/94/721436494.db2.gz UIUYLUHWAKRTLL-HYBUGGRVSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895773 721439778 /nfs/dbraw/zinc/43/97/78/721439778.db2.gz PIQQMLVRNJDADE-JYFHCDHNSA-N 1 0 452.668 4.139 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893793 721442511 /nfs/dbraw/zinc/44/25/11/721442511.db2.gz KMESDQMRYXDBMX-FIPFOOKPSA-N 1 0 496.099 4.441 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164788742 721467799 /nfs/dbraw/zinc/46/77/99/721467799.db2.gz JIAVURCNRCHFBN-IBGZPJMESA-N 1 0 485.019 4.286 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787995 721469216 /nfs/dbraw/zinc/46/92/16/721469216.db2.gz HKMVNZCTTOYQRA-XMMPIXPASA-N 1 0 480.653 4.276 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792300 721494557 /nfs/dbraw/zinc/49/45/57/721494557.db2.gz NPSZENJQZRARIK-UHFFFAOYSA-N 1 0 464.944 4.343 20 0 JIADRO CCOC(=O)c1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164796930 721498115 /nfs/dbraw/zinc/49/81/15/721498115.db2.gz ZLDOLRNBGSIYNC-UHFFFAOYSA-N 1 0 451.596 4.144 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C4CCCCC4)nc4sc5c(c42)CCC5)CC3)CC1 ZINC001164794303 721520834 /nfs/dbraw/zinc/52/08/34/721520834.db2.gz BHQLPQPCIFRTRB-UHFFFAOYSA-N 1 0 491.709 4.192 20 0 JIADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001164905825 721538804 /nfs/dbraw/zinc/53/88/04/721538804.db2.gz IPNKAZUHQMBCBP-FYYLOGMGSA-N 1 0 461.516 4.100 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164801465 721571028 /nfs/dbraw/zinc/57/10/28/721571028.db2.gz GSHFQGRBLZGKIP-STROYTFGSA-N 1 0 486.616 4.447 20 0 JIADRO FC1(F)CCN(c2nc(Cl)nc3[nH]cc(Cl)c32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906000 721583985 /nfs/dbraw/zinc/58/39/85/721583985.db2.gz YJFMEJYSZZDFCI-LJQANCHMSA-N 1 0 453.324 4.397 20 0 JIADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906273 721586485 /nfs/dbraw/zinc/58/64/85/721586485.db2.gz NBDZUONQGZPPEE-NRFANRHFSA-N 1 0 450.917 4.044 20 0 JIADRO O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164803746 721605803 /nfs/dbraw/zinc/60/58/03/721605803.db2.gz VVBZVOCFNNVRQX-XMMPIXPASA-N 1 0 453.974 4.085 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907510 721696297 /nfs/dbraw/zinc/69/62/97/721696297.db2.gz UYULNZBNAMCHMC-QFIPXVFZSA-N 1 0 464.944 4.353 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907454 721698862 /nfs/dbraw/zinc/69/88/62/721698862.db2.gz SZPFOACGCTVSOS-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO COc1cc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2cc1OC ZINC001164907024 721707461 /nfs/dbraw/zinc/70/74/61/721707461.db2.gz PKTWKHCRZTUDPV-QHCPKHFHSA-N 1 0 489.954 4.433 20 0 JIADRO COc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907028 721709991 /nfs/dbraw/zinc/70/99/91/721709991.db2.gz PPDGYWCRRPLSSD-LJQANCHMSA-N 1 0 458.887 4.421 20 0 JIADRO COC(=O)c1cc2c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH]c(Cl)cc-2n1 ZINC001164908264 721715408 /nfs/dbraw/zinc/71/54/08/721715408.db2.gz WTHMQNHOJVWCMR-JOCHJYFZSA-N 1 0 475.927 4.136 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905612 721717560 /nfs/dbraw/zinc/71/75/60/721717560.db2.gz HXYVYLXIMBPNMA-SANMLTNESA-N 1 0 494.590 4.148 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906687 721721721 /nfs/dbraw/zinc/72/17/21/721721721.db2.gz NWFHFRYTLFXMSE-RCZVLFRGSA-N 1 0 470.564 4.271 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001165010891 721740701 /nfs/dbraw/zinc/74/07/01/721740701.db2.gz QLWWRQIDRPQMTA-UHFFFAOYSA-N 1 0 464.013 4.473 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001165012147 721749665 /nfs/dbraw/zinc/74/96/65/721749665.db2.gz ANIQNNSFMVUQEP-UHFFFAOYSA-N 1 0 464.397 4.099 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@@H]21 ZINC001165028081 721802883 /nfs/dbraw/zinc/80/28/83/721802883.db2.gz YENLJRSPYMVCBE-UCGXPXSYSA-N 1 0 455.606 4.144 20 0 JIADRO CCOC(=O)c1cc2c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001165028996 721816766 /nfs/dbraw/zinc/81/67/66/721816766.db2.gz YONHJJMRTXSGDR-APTRMMRNSA-N 1 0 461.610 4.488 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@H]21 ZINC001165026370 721823390 /nfs/dbraw/zinc/82/33/90/721823390.db2.gz PDPRCNUASNKXOE-AVPJRLCVSA-N 1 0 467.617 4.416 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165026778 721827000 /nfs/dbraw/zinc/82/70/00/721827000.db2.gz QFMJMBGJCNGVIH-QXWFJRNPSA-N 1 0 459.594 4.293 20 0 JIADRO COc1cc2nc(Cl)nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2cc1OC ZINC001165020490 721840027 /nfs/dbraw/zinc/84/00/27/721840027.db2.gz JOSWTSJHLOFXNU-UHFFFAOYSA-N 1 0 487.000 4.418 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1)OCC ZINC001165022501 721841246 /nfs/dbraw/zinc/84/12/46/721841246.db2.gz UKPBTPRXOILDGJ-UHFFFAOYSA-N 1 0 493.048 4.190 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3cccc(OC)c32)CC1 ZINC001165022071 721841529 /nfs/dbraw/zinc/84/15/29/721841529.db2.gz PDAWPUWZHGDVMO-UHFFFAOYSA-N 1 0 456.974 4.410 20 0 JIADRO COC(=O)C[C@H](c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1)C1CC1 ZINC001165023145 721843307 /nfs/dbraw/zinc/84/33/07/721843307.db2.gz XTKLNMBLGYZMFM-QFIPXVFZSA-N 1 0 467.610 4.256 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164932640 721879448 /nfs/dbraw/zinc/87/94/48/721879448.db2.gz JVKLHPMQTOYRLY-FCEUIQTBSA-N 1 0 482.742 4.017 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C(=O)NC4CCCCC4)CC3)C2)cc1 ZINC001164939592 721921925 /nfs/dbraw/zinc/92/19/25/721921925.db2.gz VHOZDZBLHXZSIU-UHFFFAOYSA-N 1 0 462.638 4.324 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164939371 721922931 /nfs/dbraw/zinc/92/29/31/721922931.db2.gz KNMDFIVYRPQRTF-UHFFFAOYSA-N 1 0 492.014 4.455 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cnc1Cl ZINC001164940994 721924586 /nfs/dbraw/zinc/92/45/86/721924586.db2.gz YKAIACSAPVNVHZ-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCC[C@@H](C)C5)cn4)CC3)C2)cc1 ZINC001164938707 721930267 /nfs/dbraw/zinc/93/02/67/721930267.db2.gz FFYRVDZYOCIPPH-HSZRJFAPSA-N 1 0 462.638 4.134 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCC[C@H](C)C5)cn4)CC3)C2)cc1 ZINC001164938709 721930438 /nfs/dbraw/zinc/93/04/38/721930438.db2.gz FFYRVDZYOCIPPH-QHCPKHFHSA-N 1 0 462.638 4.134 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939568 721930812 /nfs/dbraw/zinc/93/08/12/721930812.db2.gz MMBVUAZLHFHSRO-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164946192 721965880 /nfs/dbraw/zinc/96/58/80/721965880.db2.gz MFZQISSNALNRSZ-MFMCTBQISA-N 1 0 466.629 4.409 20 0 JIADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165046633 721974271 /nfs/dbraw/zinc/97/42/71/721974271.db2.gz BSXFKZRAHLRCMF-SLFFLAALSA-N 1 0 476.616 4.071 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)n1 ZINC001164961254 722051185 /nfs/dbraw/zinc/05/11/85/722051185.db2.gz WUAKSEMLRGQHGC-YOSAUDMPSA-N 1 0 480.682 4.450 20 0 JIADRO Clc1cc2c(Cl)ccnc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963847 722055870 /nfs/dbraw/zinc/05/58/70/722055870.db2.gz NRYFTISGOUMJMX-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2cc(Cl)ccc12 ZINC001164964008 722056383 /nfs/dbraw/zinc/05/63/83/722056383.db2.gz QTXHXMZRPVNNQR-UHFFFAOYSA-N 1 0 452.986 4.411 20 0 JIADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960005 722060230 /nfs/dbraw/zinc/06/02/30/722060230.db2.gz CKRYCOHVYXLCCL-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164969783 722082489 /nfs/dbraw/zinc/08/24/89/722082489.db2.gz SNXKDGDVSCZZPY-UBFVSLLYSA-N 1 0 466.601 4.022 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969768 722083206 /nfs/dbraw/zinc/08/32/06/722083206.db2.gz SDBFGNPNPXVEGF-UHFFFAOYSA-N 1 0 473.911 4.181 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981036 722118564 /nfs/dbraw/zinc/11/85/64/722118564.db2.gz SBWJTTNUAXDUPJ-YKSBVNFPSA-N 1 0 495.986 4.249 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCCCC3 ZINC001164982184 722142230 /nfs/dbraw/zinc/14/22/30/722142230.db2.gz RHGYWQRESKCATA-UNMCSNQZSA-N 1 0 463.651 4.391 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164985559 722146485 /nfs/dbraw/zinc/14/64/85/722146485.db2.gz ZUTVREFUQIIBAH-FPOVZHCZSA-N 1 0 453.949 4.058 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985562 722146620 /nfs/dbraw/zinc/14/66/20/722146620.db2.gz ZUTVREFUQIIBAH-TZIWHRDSSA-N 1 0 453.949 4.058 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981502 722146920 /nfs/dbraw/zinc/14/69/20/722146920.db2.gz PDPPHYSARDVLEK-AUSIDOKSSA-N 1 0 453.949 4.058 20 0 JIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972784 722156077 /nfs/dbraw/zinc/15/60/77/722156077.db2.gz JPKLPAFBXLDWKI-AUSIDOKSSA-N 1 0 481.984 4.053 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977856 722159115 /nfs/dbraw/zinc/15/91/15/722159115.db2.gz YWXNSCJECPELDM-VGOFRKELSA-N 1 0 456.949 4.158 20 0 JIADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]32)cs1 ZINC001164986252 722179308 /nfs/dbraw/zinc/17/93/08/722179308.db2.gz JNGDPPTZFIIQKW-KAYWLYCHSA-N 1 0 489.689 4.275 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164986767 722186301 /nfs/dbraw/zinc/18/63/01/722186301.db2.gz GLRBIJDHBPHOEJ-SGNDLWITSA-N 1 0 455.672 4.263 20 0 JIADRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164999429 722221697 /nfs/dbraw/zinc/22/16/97/722221697.db2.gz QUEFIDJQOSEAIH-AREMUKBSSA-N 1 0 460.622 4.136 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CCC2 ZINC001165001043 722253038 /nfs/dbraw/zinc/25/30/38/722253038.db2.gz ZQWXZMUALMLUDJ-UHFFFAOYSA-N 1 0 468.605 4.496 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)CCC2 ZINC001165003473 722256120 /nfs/dbraw/zinc/25/61/20/722256120.db2.gz DUHHTZIUTXBRBR-UHFFFAOYSA-N 1 0 466.586 4.182 20 0 JIADRO Cc1nc2scc(-c3cccs3)c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004958 722256316 /nfs/dbraw/zinc/25/63/16/722256316.db2.gz YPZHPQGNJWEXEX-UHFFFAOYSA-N 1 0 468.652 4.413 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001165003793 722257968 /nfs/dbraw/zinc/25/79/68/722257968.db2.gz HXDFSGJXVOCDQJ-UHFFFAOYSA-N 1 0 471.005 4.170 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300643049 1069312161 /nfs/dbraw/zinc/31/21/61/1069312161.db2.gz PDUYBNDXOTUPSI-SFHVURJKSA-N 1 0 451.562 4.078 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300645607 1069318276 /nfs/dbraw/zinc/31/82/76/1069318276.db2.gz AIBGDUCEYMMWHR-MOPGFXCFSA-N 1 0 463.573 4.079 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300647092 1069323026 /nfs/dbraw/zinc/32/30/26/1069323026.db2.gz AUYXYIBSNSCONO-VXKWHMMOSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC3(CCOCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300647537 1069324305 /nfs/dbraw/zinc/32/43/05/1069324305.db2.gz DVANENGUGZDOIY-QFIPXVFZSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300651173 1069334507 /nfs/dbraw/zinc/33/45/07/1069334507.db2.gz SUQMFQGNAZOIMZ-VQTJNVASSA-N 1 0 453.587 4.388 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001300652038 1069338366 /nfs/dbraw/zinc/33/83/66/1069338366.db2.gz JRUJVRJAERAHGT-UXHICEINSA-N 1 0 459.610 4.315 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001300652040 1069338553 /nfs/dbraw/zinc/33/85/53/1069338553.db2.gz JRUJVRJAERAHGT-VQTJNVASSA-N 1 0 459.610 4.315 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[C@H]1CCCCO1 ZINC001300652050 1069338668 /nfs/dbraw/zinc/33/86/68/1069338668.db2.gz JURWRGJJOMUSDB-OAQYLSRUSA-N 1 0 471.646 4.136 20 0 JIADRO CC1([NH+]2CCOCC2)CCN(C(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200710677 1069351965 /nfs/dbraw/zinc/35/19/65/1069351965.db2.gz FPHXCDSRVGLTFS-UHFFFAOYSA-N 1 0 482.366 4.231 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001300659634 1069364980 /nfs/dbraw/zinc/36/49/80/1069364980.db2.gz DEEIWJIPKLLKIO-UXHICEINSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)CC2CCOCC2)n1CC[NH+]1CCC(C)CC1 ZINC001300667644 1069391664 /nfs/dbraw/zinc/39/16/64/1069391664.db2.gz QAHJKSOGTGJXBP-UHFFFAOYSA-N 1 0 473.687 4.174 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[NH+](C(C)C)C(C)C ZINC001359347204 1069418990 /nfs/dbraw/zinc/41/89/90/1069418990.db2.gz GOXUXLUUVGGAQR-RELWKKBWSA-N 1 0 452.647 4.173 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359348675 1069424403 /nfs/dbraw/zinc/42/44/03/1069424403.db2.gz KJRXQROTWVWULL-OPFGUVMXSA-N 1 0 450.631 4.033 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359349503 1069426537 /nfs/dbraw/zinc/42/65/37/1069426537.db2.gz YKBKZHAKYUGRMB-AQZJAAOESA-N 1 0 464.658 4.205 20 0 JIADRO Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)ccc2c[nH+]cn21 ZINC001354630105 1069428010 /nfs/dbraw/zinc/42/80/10/1069428010.db2.gz WOBFQEZWWMEZRJ-QFIPXVFZSA-N 1 0 453.951 4.219 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)OC ZINC001300677545 1069431971 /nfs/dbraw/zinc/43/19/71/1069431971.db2.gz QBGFHBIICXGTGE-UHFFFAOYSA-N 1 0 461.676 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300677013 1069428743 /nfs/dbraw/zinc/42/87/43/1069428743.db2.gz REZORRUPXBXVQI-NBGIEHNGSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC=C(C)C ZINC001300677912 1069434100 /nfs/dbraw/zinc/43/41/00/1069434100.db2.gz WVLMSRVRTQIFKG-QFIPXVFZSA-N 1 0 485.698 4.484 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359354571 1069439831 /nfs/dbraw/zinc/43/98/31/1069439831.db2.gz RBXOZSYWDYDMTP-NFBKMPQASA-N 1 0 496.700 4.041 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001354646085 1069446940 /nfs/dbraw/zinc/44/69/40/1069446940.db2.gz MHPJKQFSNABMLJ-GGAORHGYSA-N 1 0 455.599 4.460 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001359357557 1069447815 /nfs/dbraw/zinc/44/78/15/1069447815.db2.gz JHFRZFFPMMJKNV-JOCHJYFZSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001359369610 1069471745 /nfs/dbraw/zinc/47/17/45/1069471745.db2.gz DCJNQUZPMUOQDG-HXUWFJFHSA-N 1 0 473.065 4.168 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3=CCCCC3)C[C@@H]2C)CC1 ZINC001359380836 1069485677 /nfs/dbraw/zinc/48/56/77/1069485677.db2.gz TZJNJCURFMYTOA-XUZZJYLKSA-N 1 0 470.706 4.136 20 0 JIADRO CC(C)=CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001359380615 1069485697 /nfs/dbraw/zinc/48/56/97/1069485697.db2.gz PHZKFCQQLMQGEO-GBXCKJPGSA-N 1 0 485.076 4.334 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@H]2C)CC1 ZINC001359380469 1069485153 /nfs/dbraw/zinc/48/51/53/1069485153.db2.gz MNICDTFTMJSDRN-GGAORHGYSA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001359385127 1069491465 /nfs/dbraw/zinc/49/14/65/1069491465.db2.gz RLXJZAYWHLSYCJ-QHAWAJNXSA-N 1 0 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496.700 4.233 20 0 JIADRO CC(=O)NC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359431198 1069556183 /nfs/dbraw/zinc/55/61/83/1069556183.db2.gz POLFAHZGCHXAHY-QFIPXVFZSA-N 1 0 498.722 4.348 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359433359 1069560332 /nfs/dbraw/zinc/56/03/32/1069560332.db2.gz HDARGMAPNMLFBI-GCJKJVERSA-N 1 0 487.073 4.315 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359433360 1069560477 /nfs/dbraw/zinc/56/04/77/1069560477.db2.gz HDARGMAPNMLFBI-PGRDOPGGSA-N 1 0 487.073 4.315 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001359443451 1069575516 /nfs/dbraw/zinc/57/55/16/1069575516.db2.gz ZOVVURVNOMDDKA-NRFANRHFSA-N 1 0 472.703 4.118 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359463593 1069587539 /nfs/dbraw/zinc/58/75/39/1069587539.db2.gz QWVHNQSHSRNUAL-OALUTQOASA-N 1 0 498.697 4.480 20 0 JIADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+](C)C1CCCCC1 ZINC001359481333 1069656085 /nfs/dbraw/zinc/65/60/85/1069656085.db2.gz JJLSPBWZLMMEBZ-WOJBJXKFSA-N 1 0 498.697 4.016 20 0 JIADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359491582 1069706797 /nfs/dbraw/zinc/70/67/97/1069706797.db2.gz QTEJLDXXDHGEQO-QHCPKHFHSA-N 1 0 495.716 4.375 20 0 JIADRO CC(C)(C)c1nnc(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001359501154 1069762525 /nfs/dbraw/zinc/76/25/25/1069762525.db2.gz VXBKCGHZWKVZRX-UHFFFAOYSA-N 1 0 457.623 4.202 20 0 JIADRO CC(C)(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359503079 1069768916 /nfs/dbraw/zinc/76/89/16/1069768916.db2.gz GHDAUWGGLKRETL-JOCHJYFZSA-N 1 0 459.601 4.370 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001359505333 1069775483 /nfs/dbraw/zinc/77/54/83/1069775483.db2.gz YDWOOMXPGFLSKL-UHFFFAOYSA-N 1 0 484.664 4.237 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359515406 1069801943 /nfs/dbraw/zinc/80/19/43/1069801943.db2.gz URVZFQVPNSPEAC-UHFFFAOYSA-N 1 0 472.559 4.402 20 0 JIADRO CC(C)(C)c1cc(Cn2c(CCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)on1 ZINC001359518767 1069805571 /nfs/dbraw/zinc/80/55/71/1069805571.db2.gz NQFHGANHGRAKAN-UHFFFAOYSA-N 1 0 450.631 4.318 20 0 JIADRO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001359522192 1069810106 /nfs/dbraw/zinc/81/01/06/1069810106.db2.gz OCAMGJDYLFDOLF-DENIHFKCSA-N 1 0 494.055 4.226 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001359527643 1069817692 /nfs/dbraw/zinc/81/76/92/1069817692.db2.gz SQVUQIANUFKMQL-UHFFFAOYSA-N 1 0 472.722 4.408 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359534777 1069828231 /nfs/dbraw/zinc/82/82/31/1069828231.db2.gz COVTXLUKHQAXHA-QHCPKHFHSA-N 1 0 496.700 4.419 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359534511 1069827549 /nfs/dbraw/zinc/82/75/49/1069827549.db2.gz WUSPVFQPJRPBSM-SFHVURJKSA-N 1 0 457.585 4.290 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359538049 1069833261 /nfs/dbraw/zinc/83/32/61/1069833261.db2.gz AUYOGNULKWVZNM-UHFFFAOYSA-N 1 0 480.701 4.023 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359540709 1069838257 /nfs/dbraw/zinc/83/82/57/1069838257.db2.gz FEOQOTYCHVYLBW-UHFFFAOYSA-N 1 0 488.746 4.412 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359541313 1069838620 /nfs/dbraw/zinc/83/86/20/1069838620.db2.gz WSHZAPRHCCZYNR-FHWLQOOXSA-N 1 0 457.585 4.319 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001300794512 1069845745 /nfs/dbraw/zinc/84/57/45/1069845745.db2.gz FAYRHJYEOFRPAC-WOIUINJBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[C@@H]1C ZINC001300794577 1069846139 /nfs/dbraw/zinc/84/61/39/1069846139.db2.gz KYIKQGHWXZTHRD-SQGPQFPESA-N 1 0 479.467 4.017 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001300794937 1069846647 /nfs/dbraw/zinc/84/66/47/1069846647.db2.gz LSPONKSUANUJIK-DYESRHJHSA-N 1 0 487.446 4.029 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCSCC(F)(F)F)CC1 ZINC001492595508 1069846712 /nfs/dbraw/zinc/84/67/12/1069846712.db2.gz BOXIZDCISSNTOI-UHFFFAOYSA-N 1 0 464.561 4.199 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC(C)C)CC1 ZINC001492595605 1069847140 /nfs/dbraw/zinc/84/71/40/1069847140.db2.gz FTPSIRCEEPPWRG-XMMPIXPASA-N 1 0 455.647 4.213 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001359547206 1069852150 /nfs/dbraw/zinc/85/21/50/1069852150.db2.gz GEMIBIYZLKRKFL-HXUWFJFHSA-N 1 0 494.105 4.197 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2F)CC1 ZINC001359545731 1069848828 /nfs/dbraw/zinc/84/88/28/1069848828.db2.gz CSAHOWJZJHKQEE-UHFFFAOYSA-N 1 0 493.631 4.256 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCCCS(C)(=O)=O)CC1 ZINC001359546426 1069850335 /nfs/dbraw/zinc/85/03/35/1069850335.db2.gz DWEQMAZHSPADII-UHFFFAOYSA-N 1 0 496.121 4.372 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001359546863 1069851304 /nfs/dbraw/zinc/85/13/04/1069851304.db2.gz SPCRCVLAHQJGEH-UHFFFAOYSA-N 1 0 469.584 4.453 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001359546914 1069851603 /nfs/dbraw/zinc/85/16/03/1069851603.db2.gz VBBYDPOGGWNLRW-ACBHZAAOSA-N 1 0 484.611 4.156 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCSCCCO)CC1 ZINC001359547454 1069853067 /nfs/dbraw/zinc/85/30/67/1069853067.db2.gz QBNIXCCVROCTGT-UHFFFAOYSA-N 1 0 471.715 4.174 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCOC2CCCC2)CC1 ZINC001359547672 1069853953 /nfs/dbraw/zinc/85/39/53/1069853953.db2.gz YFSQMPQVRRLMNG-UHFFFAOYSA-N 1 0 454.663 4.171 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccccn2)CC1 ZINC001359549257 1069857633 /nfs/dbraw/zinc/85/76/33/1069857633.db2.gz IPWNLRNCGRUYIA-UHFFFAOYSA-N 1 0 487.421 4.405 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001359557293 1069874770 /nfs/dbraw/zinc/87/47/70/1069874770.db2.gz HEXJVDNXCQCGIO-LEWJYISDSA-N 1 0 490.693 4.087 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001359562147 1069887095 /nfs/dbraw/zinc/88/70/95/1069887095.db2.gz PTZADVYFPHKNBK-SFTDATJTSA-N 1 0 474.694 4.287 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359574166 1069959090 /nfs/dbraw/zinc/95/90/90/1069959090.db2.gz PVZITOKQKAVPNH-UHFFFAOYSA-N 1 0 486.636 4.312 20 0 JIADRO 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CC(C)(C)OCCn1c(CCOc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359585696 1070015298 /nfs/dbraw/zinc/01/52/98/1070015298.db2.gz LJMHZUKYTYXTCT-UHFFFAOYSA-N 1 0 455.647 4.169 20 0 JIADRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001359598205 1070054135 /nfs/dbraw/zinc/05/41/35/1070054135.db2.gz RWBHYELFFUFRMA-LJQANCHMSA-N 1 0 493.494 4.409 20 0 JIADRO CC(C)(Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCC2)CC1)C(F)(F)F ZINC001359598261 1070054178 /nfs/dbraw/zinc/05/41/78/1070054178.db2.gz UNGFPGDRCNMCFW-UHFFFAOYSA-N 1 0 455.500 4.259 20 0 JIADRO CC(C)(O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359602679 1070062471 /nfs/dbraw/zinc/06/24/71/1070062471.db2.gz PQZBDBGTCUIVQG-UHFFFAOYSA-N 1 0 467.614 4.199 20 0 JIADRO CC(C)=CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001359612468 1070076099 /nfs/dbraw/zinc/07/60/99/1070076099.db2.gz QWJIUHUEJZVPMY-VWLOTQADSA-N 1 0 466.674 4.004 20 0 JIADRO 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COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315552180 1064568812 /nfs/dbraw/zinc/56/88/12/1064568812.db2.gz OYVQCEKDMBBOPP-SFHVURJKSA-N 1 0 472.037 4.242 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315553045 1064570401 /nfs/dbraw/zinc/57/04/01/1064570401.db2.gz AVHHMKCFOZOXQF-XXAUWVGASA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315553458 1064570825 /nfs/dbraw/zinc/57/08/25/1064570825.db2.gz CRBPYIPZUPYYPP-RTWAWAEBSA-N 1 0 455.628 4.179 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cccs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315557221 1064576898 /nfs/dbraw/zinc/57/68/98/1064576898.db2.gz UIKAIZXJPROHAB-BGYRXZFFSA-N 1 0 469.655 4.193 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315557271 1064577147 /nfs/dbraw/zinc/57/71/47/1064577147.db2.gz QHDHTZGZRUDEIY-RTWAWAEBSA-N 1 0 455.647 4.470 20 0 JIADRO 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20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315593752 1064689026 /nfs/dbraw/zinc/68/90/26/1064689026.db2.gz MIJLNYQHLLYECQ-ACRUOGEOSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315597250 1064699653 /nfs/dbraw/zinc/69/96/53/1064699653.db2.gz BYLYWEOIUUYGKP-HXUWFJFHSA-N 1 0 495.590 4.479 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001315598450 1064702127 /nfs/dbraw/zinc/70/21/27/1064702127.db2.gz LRFMLJNFDQEHSV-UHFFFAOYSA-N 1 0 477.657 4.020 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@](C)(O)CCC(C)C ZINC001315599220 1064703706 /nfs/dbraw/zinc/70/37/06/1064703706.db2.gz FLNNABWQGUWGOE-QFQXNSOFSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315599442 1064704773 /nfs/dbraw/zinc/70/47/73/1064704773.db2.gz YKCQVIQYJLTALN-AJTFRIOCSA-N 1 0 485.673 4.237 20 0 JIADRO 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COCc1nocc1Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001315881175 1065318504 /nfs/dbraw/zinc/31/85/04/1065318504.db2.gz VJAYBJCYEMNZCR-DENIHFKCSA-N 1 0 466.630 4.248 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001315881587 1065320516 /nfs/dbraw/zinc/32/05/16/1065320516.db2.gz NKXMXIDYRNCVOD-OAQYLSRUSA-N 1 0 485.673 4.096 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315883006 1065324282 /nfs/dbraw/zinc/32/42/82/1065324282.db2.gz UHOXUAUDRMAENM-WXFUMESZSA-N 1 0 469.674 4.273 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315884337 1065328570 /nfs/dbraw/zinc/32/85/70/1065328570.db2.gz KVJLCWCPGJWRJZ-FXAWDEMLSA-N 1 0 493.494 4.409 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001315884450 1065329204 /nfs/dbraw/zinc/32/92/04/1065329204.db2.gz YLKAQYHCMFNCTH-ZEQKJWHPSA-N 1 0 471.715 4.144 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315885895 1065332178 /nfs/dbraw/zinc/33/21/78/1065332178.db2.gz BPOFZBBOVWRVFI-WRALFONMSA-N 1 0 485.721 4.151 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315889961 1065345230 /nfs/dbraw/zinc/34/52/30/1065345230.db2.gz GTYXPTKIBUEEHS-RTBURBONSA-N 1 0 461.054 4.367 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001315891055 1065349968 /nfs/dbraw/zinc/34/99/68/1065349968.db2.gz NQUZDPASZLKWIV-ISCCLHIJSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001315898355 1065367294 /nfs/dbraw/zinc/36/72/94/1065367294.db2.gz YJIZQLAHBYEUHQ-KNQAVFIVSA-N 1 0 457.619 4.235 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315898677 1065367969 /nfs/dbraw/zinc/36/79/69/1065367969.db2.gz IAPRKJLKDFBPTG-GGAORHGYSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315900311 1065371756 /nfs/dbraw/zinc/37/17/56/1065371756.db2.gz VELIKKFOGSZTSD-XMMPIXPASA-N 1 0 453.675 4.438 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001315900695 1065372541 /nfs/dbraw/zinc/37/25/41/1065372541.db2.gz BNUGLRIULRGNKU-WBADGQHESA-N 1 0 461.695 4.182 20 0 JIADRO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315902944 1065381078 /nfs/dbraw/zinc/38/10/78/1065381078.db2.gz NGQFLYJZQOOBTK-QPPBQGQZSA-N 1 0 482.673 4.130 20 0 JIADRO COCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001315904717 1065386350 /nfs/dbraw/zinc/38/63/50/1065386350.db2.gz HSWLTLKRNIQYJJ-RTBURBONSA-N 1 0 476.065 4.349 20 0 JIADRO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315907042 1065392723 /nfs/dbraw/zinc/39/27/23/1065392723.db2.gz SZIXPOHYXYBTSF-QZTJIDSGSA-N 1 0 493.494 4.029 20 0 JIADRO COC[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001315907158 1065393427 /nfs/dbraw/zinc/39/34/27/1065393427.db2.gz QVYFUMWQMMTYBL-GOTSBHOMSA-N 1 0 499.700 4.397 20 0 JIADRO COC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001315908102 1065395789 /nfs/dbraw/zinc/39/57/89/1065395789.db2.gz ZTUZVDJLBKOOPS-OAHLLOKOSA-N 1 0 468.465 4.116 20 0 JIADRO COCC1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315912960 1065408425 /nfs/dbraw/zinc/40/84/25/1065408425.db2.gz JKXMANRHUBXGCI-BGYRXZFFSA-N 1 0 454.663 4.268 20 0 JIADRO COCC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001315914266 1065409891 /nfs/dbraw/zinc/40/98/91/1065409891.db2.gz PPPUGEVYNNBYPR-QHCPKHFHSA-N 1 0 455.647 4.185 20 0 JIADRO COCC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315916800 1065415720 /nfs/dbraw/zinc/41/57/20/1065415720.db2.gz CINJESBCPVURQG-DEOSSOPVSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315917350 1065417285 /nfs/dbraw/zinc/41/72/85/1065417285.db2.gz GXVIIBYBLKNDJJ-PQNGQFLHSA-N 1 0 469.674 4.315 20 0 JIADRO COCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001315917986 1065418757 /nfs/dbraw/zinc/41/87/57/1065418757.db2.gz NBWOJZAQEAUYMO-UHFFFAOYSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315922255 1065431275 /nfs/dbraw/zinc/43/12/75/1065431275.db2.gz UYLWBQCWQOTPFL-LJQANCHMSA-N 1 0 464.079 4.428 20 0 JIADRO COCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315922113 1065431294 /nfs/dbraw/zinc/43/12/94/1065431294.db2.gz LBHKAMMTKMZYLV-GGAORHGYSA-N 1 0 469.674 4.457 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCC[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001315927536 1065441439 /nfs/dbraw/zinc/44/14/39/1065441439.db2.gz GWEQDKDUGFEETD-KNQAVFIVSA-N 1 0 498.697 4.347 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCC[N@H+](C)C(C)C)C[C@H](C)O1 ZINC001315927538 1065441497 /nfs/dbraw/zinc/44/14/97/1065441497.db2.gz GWEQDKDUGFEETD-UGKGYDQZSA-N 1 0 498.697 4.347 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001315928949 1065444773 /nfs/dbraw/zinc/44/47/73/1065444773.db2.gz KUQCVENLZVNERO-VIZSFHNOSA-N 1 0 476.065 4.208 20 0 JIADRO COC[C@H]1CN(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C(C)C)C(C)C)C[C@H](C)O1 ZINC001315930459 1065449475 /nfs/dbraw/zinc/44/94/75/1065449475.db2.gz PXBOPRZNZCEZOC-RBBKRZOGSA-N 1 0 469.630 4.440 20 0 JIADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC001315944786 1065475950 /nfs/dbraw/zinc/47/59/50/1065475950.db2.gz ZHWCSTPNKQXMHQ-BEZYRKKYSA-N 1 0 483.701 4.174 20 0 JIADRO COC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001315952545 1065489739 /nfs/dbraw/zinc/48/97/39/1065489739.db2.gz JLMOPHOXCSKZLS-DHLKQENFSA-N 1 0 499.700 4.271 20 0 JIADRO COC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001315955588 1065499983 /nfs/dbraw/zinc/49/99/83/1065499983.db2.gz SXWMVLGHNQPHQA-QHCPKHFHSA-N 1 0 499.700 4.405 20 0 JIADRO COCCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001315957950 1065507456 /nfs/dbraw/zinc/50/74/56/1065507456.db2.gz YIMIFGQFHQMKBD-OAQYLSRUSA-N 1 0 471.646 4.090 20 0 JIADRO COCCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001315961019 1065513857 /nfs/dbraw/zinc/51/38/57/1065513857.db2.gz LVGNTSTZCUIYCB-HSZRJFAPSA-N 1 0 455.647 4.213 20 0 JIADRO COCCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001315979724 1065541383 /nfs/dbraw/zinc/54/13/83/1065541383.db2.gz RBMQWFXOURTCRG-IBGZPJMESA-N 1 0 459.610 4.294 20 0 JIADRO COCC[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001315982081 1065546779 /nfs/dbraw/zinc/54/67/79/1065546779.db2.gz RKZLOUUXWNYIST-FIPFOOKPSA-N 1 0 499.700 4.007 20 0 JIADRO COCCC1(Cn2c(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nnc2C(C)(C)C)CCC1 ZINC001315988717 1065558973 /nfs/dbraw/zinc/55/89/73/1065558973.db2.gz WYMWQMPUAXIUOB-OYRHEFFESA-N 1 0 461.695 4.108 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315994320 1065571935 /nfs/dbraw/zinc/57/19/35/1065571935.db2.gz WSTMXAMVDZWPNO-OALUTQOASA-N 1 0 476.463 4.302 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315995990 1065574670 /nfs/dbraw/zinc/57/46/70/1065574670.db2.gz MIOQRGXZWHXCTM-VJBWXMMDSA-N 1 0 455.647 4.149 20 0 JIADRO COCC[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315996144 1065575241 /nfs/dbraw/zinc/57/52/41/1065575241.db2.gz MUOOGJOPUOJIGQ-DHIUTWEWSA-N 1 0 455.647 4.149 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001315997057 1065577050 /nfs/dbraw/zinc/57/70/50/1065577050.db2.gz BTGOGAVXQNORHG-BJKOFHAPSA-N 1 0 453.675 4.294 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315997270 1065577669 /nfs/dbraw/zinc/57/76/69/1065577669.db2.gz IHPXVAJZSIWEPZ-RXVVDRJESA-N 1 0 461.054 4.367 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001315997763 1065578727 /nfs/dbraw/zinc/57/87/27/1065578727.db2.gz CSIKGIRPRMCLMU-PMACEKPBSA-N 1 0 461.601 4.132 20 0 JIADRO COCCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316004057 1065590056 /nfs/dbraw/zinc/59/00/56/1065590056.db2.gz ABJXKULYKHUVNW-UHFFFAOYSA-N 1 0 469.674 4.360 20 0 JIADRO COCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001316009508 1065599813 /nfs/dbraw/zinc/59/98/13/1065599813.db2.gz JBFAFLXCZAKKML-UXHICEINSA-N 1 0 459.610 4.294 20 0 JIADRO COCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001316015906 1065613923 /nfs/dbraw/zinc/61/39/23/1065613923.db2.gz UDMXHTAQHGNNGV-SFHVURJKSA-N 1 0 462.038 4.344 20 0 JIADRO COCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316018560 1065618901 /nfs/dbraw/zinc/61/89/01/1065618901.db2.gz PFGLNOKAPLEBMQ-UHFFFAOYSA-N 1 0 455.647 4.355 20 0 JIADRO COCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(C)ccc21 ZINC001316027671 1065638308 /nfs/dbraw/zinc/63/83/08/1065638308.db2.gz OIKMEMOQOAFNLB-UHFFFAOYSA-N 1 0 473.419 4.007 20 0 JIADRO COCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCCCCC1 ZINC001316027790 1065638482 /nfs/dbraw/zinc/63/84/82/1065638482.db2.gz PIZIJPTVQMVYED-UHFFFAOYSA-N 1 0 451.619 4.074 20 0 JIADRO COCCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)(C)C ZINC001316028177 1065639219 /nfs/dbraw/zinc/63/92/19/1065639219.db2.gz UZEKIAMJECNABA-UHFFFAOYSA-N 1 0 458.470 4.220 20 0 JIADRO COCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001316028315 1065640201 /nfs/dbraw/zinc/64/02/01/1065640201.db2.gz YBIVBJCCJLHKGH-UHFFFAOYSA-N 1 0 477.600 4.328 20 0 JIADRO COCCC[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001316029925 1065642808 /nfs/dbraw/zinc/64/28/08/1065642808.db2.gz GRNCMBYSRZNBTO-RUZDIDTESA-N 1 0 478.081 4.132 20 0 JIADRO COCCCOC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001316055524 1065690073 /nfs/dbraw/zinc/69/00/73/1065690073.db2.gz XFIYTWJGVHEQSM-FIXSFTCYSA-N 1 0 491.721 4.298 20 0 JIADRO COCCN(C)c1nnc(-c2ccccc2Br)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001316056719 1065691790 /nfs/dbraw/zinc/69/17/90/1065691790.db2.gz UXVUJPGWMZTTSE-GOSISDBHSA-N 1 0 464.452 4.302 20 0 JIADRO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316057467 1065694413 /nfs/dbraw/zinc/69/44/13/1065694413.db2.gz AQSKOQOQPQKRGZ-UHFFFAOYSA-N 1 0 499.457 4.451 20 0 JIADRO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001316058471 1065696783 /nfs/dbraw/zinc/69/67/83/1065696783.db2.gz RKJFCPNNWPOBGD-UHFFFAOYSA-N 1 0 490.471 4.218 20 0 JIADRO COCC[N@H+](C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001316065868 1065703776 /nfs/dbraw/zinc/70/37/76/1065703776.db2.gz QQFRLGIGZRHMDB-UHFFFAOYSA-N 1 0 477.600 4.328 20 0 JIADRO COCC[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001316066406 1065705268 /nfs/dbraw/zinc/70/52/68/1065705268.db2.gz XYCRHKKXMIHVMQ-CVEARBPZSA-N 1 0 468.415 4.050 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C(C)C ZINC001316067814 1065706136 /nfs/dbraw/zinc/70/61/36/1065706136.db2.gz BKZNPIFGZZOSKR-IBGZPJMESA-N 1 0 468.415 4.050 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001316068156 1065706964 /nfs/dbraw/zinc/70/69/64/1065706964.db2.gz GWNBNMDPQNNCFO-MHZLTWQESA-N 1 0 471.690 4.462 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001316068460 1065707135 /nfs/dbraw/zinc/70/71/35/1065707135.db2.gz KVTNTQLYVQKJJN-OAQYLSRUSA-N 1 0 455.006 4.222 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCC(F)(F)F ZINC001316069029 1065708019 /nfs/dbraw/zinc/70/80/19/1065708019.db2.gz AIZRLGAIAXRBAG-OAHLLOKOSA-N 1 0 459.582 4.098 20 0 JIADRO COCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](SC)C1 ZINC001316069844 1065709338 /nfs/dbraw/zinc/70/93/38/1065709338.db2.gz JRKJBZGIDLMCJZ-HNNXBMFYSA-N 1 0 488.521 4.069 20 0 JIADRO COCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001316070334 1065709906 /nfs/dbraw/zinc/70/99/06/1065709906.db2.gz AFFASULTXZMJCJ-FQEVSTJZSA-N 1 0 483.579 4.042 20 0 JIADRO COCC[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001316074782 1065712543 /nfs/dbraw/zinc/71/25/43/1065712543.db2.gz NHHJQLJOSCVESE-AREMUKBSSA-N 1 0 453.631 4.070 20 0 JIADRO COCCN(c1nnc(-c2ccccc2C)n1CC1(O)CC[NH+](C(C)C)CC1)[C@H]1CC[C@@H](C)C1 ZINC001316078248 1065721065 /nfs/dbraw/zinc/72/10/65/1065721065.db2.gz JUTVTHPXLQQDRS-GGAORHGYSA-N 1 0 469.674 4.130 20 0 JIADRO COCCN(c1nnc(-c2ccccc2OC)n1CC[NH+]1CCC(C)CC1)[C@@H]1CC[C@H](C)C1 ZINC001316078742 1065722090 /nfs/dbraw/zinc/72/20/90/1065722090.db2.gz JDXSECHYVKAZLO-FCHUYYIVSA-N 1 0 455.647 4.327 20 0 JIADRO COCCN(CC(C)C)c1nnc(-c2cccc(C)n2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316080224 1065725688 /nfs/dbraw/zinc/72/56/88/1065725688.db2.gz ULCRZTDKAARVCX-UHFFFAOYSA-N 1 0 463.630 4.109 20 0 JIADRO COCCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[C@@H](C)C1 ZINC001316083138 1065731557 /nfs/dbraw/zinc/73/15/57/1065731557.db2.gz VMKMTDVXCQAXNG-KRXUUXHPSA-N 1 0 461.676 4.178 20 0 JIADRO COCCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[C@@H](C)C1 ZINC001316083139 1065731816 /nfs/dbraw/zinc/73/18/16/1065731816.db2.gz VMKMTDVXCQAXNG-UGESXGAOSA-N 1 0 461.676 4.178 20 0 JIADRO COCCN(CC(C)C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001316087625 1065741358 /nfs/dbraw/zinc/74/13/58/1065741358.db2.gz ZJPPDVLELBQOQQ-KRWDZBQOSA-N 1 0 494.453 4.440 20 0 JIADRO COCCN(Cc1ccc(C)o1)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)[NH+](C)C ZINC001316090113 1065747113 /nfs/dbraw/zinc/74/71/13/1065747113.db2.gz VIFBMOKKOZUBIC-IBGZPJMESA-N 1 0 462.598 4.306 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2sccc2C)C[C@H]1C ZINC001316116549 1065784683 /nfs/dbraw/zinc/78/46/83/1065784683.db2.gz BNAIVNHOGKOMEG-WOJBJXKFSA-N 1 0 487.645 4.327 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@@H](C)C2)C[C@H]1C ZINC001316122601 1065789869 /nfs/dbraw/zinc/78/98/69/1065789869.db2.gz LZZLQLNMBCZREX-GUDVDZBRSA-N 1 0 463.573 4.140 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2)C[C@@H]1C ZINC001316125658 1065796535 /nfs/dbraw/zinc/79/65/35/1065796535.db2.gz MSTQWXSCGVMWCY-PXNSSMCTSA-N 1 0 494.503 4.150 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(C)(F)F)cc2)C[C@@H]1C ZINC001316125707 1065797508 /nfs/dbraw/zinc/79/75/08/1065797508.db2.gz NRTVTWPVBNBPOJ-KRWDZBQOSA-N 1 0 459.541 4.163 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCc2ccnc(C(C)(C)C)n2)C[C@@H]1C ZINC001316128203 1065800490 /nfs/dbraw/zinc/80/04/90/1065800490.db2.gz GSWVSRBROREHLF-QFIPXVFZSA-N 1 0 491.684 4.131 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](SC)C(C)(C)C)C[C@H]1C ZINC001316129223 1065801112 /nfs/dbraw/zinc/80/11/12/1065801112.db2.gz NJDBUBBULWKXTL-XXBNENTESA-N 1 0 484.714 4.371 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001316133523 1065802479 /nfs/dbraw/zinc/80/24/79/1065802479.db2.gz WMFPQUKKHHTMHH-SFHVURJKSA-N 1 0 465.564 4.354 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(F)(F)F)cc2C)C[C@@H]1C ZINC001316135975 1065803448 /nfs/dbraw/zinc/80/34/48/1065803448.db2.gz UICCPDOWZHUPDA-SFHVURJKSA-N 1 0 493.599 4.463 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CCc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001316138315 1065803976 /nfs/dbraw/zinc/80/39/76/1065803976.db2.gz OZMSSWHUNITYQQ-LJQANCHMSA-N 1 0 474.719 4.164 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316163529 1065831264 /nfs/dbraw/zinc/83/12/64/1065831264.db2.gz DBGDEONMYARRPT-ILBGXUMGSA-N 1 0 467.658 4.461 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001316171942 1065845037 /nfs/dbraw/zinc/84/50/37/1065845037.db2.gz QUEYPUFBIKVGPV-JXFKEZNVSA-N 1 0 487.542 4.223 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001316172598 1065846028 /nfs/dbraw/zinc/84/60/28/1065846028.db2.gz AOVSJUJXLAVWTK-FCHUYYIVSA-N 1 0 455.647 4.179 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1oc2ccc(F)cc2c1C ZINC001316177080 1065855165 /nfs/dbraw/zinc/85/51/65/1065855165.db2.gz ATNAQGKTPPTJHB-SFHVURJKSA-N 1 0 473.593 4.211 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CC(C)C ZINC001316185202 1065870733 /nfs/dbraw/zinc/87/07/33/1065870733.db2.gz DSWKGLWZNRDWGN-QFIPXVFZSA-N 1 0 455.647 4.151 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001316187204 1065874237 /nfs/dbraw/zinc/87/42/37/1065874237.db2.gz FBROAUGTJAMBAQ-ZWKOTPCHSA-N 1 0 461.573 4.045 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316189947 1065879597 /nfs/dbraw/zinc/87/95/97/1065879597.db2.gz OWUHSXIKSQCNAG-WMTXJRDZSA-N 1 0 469.674 4.321 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCc3sccc3C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316192421 1065883975 /nfs/dbraw/zinc/88/39/75/1065883975.db2.gz NZVDJKLSTHYOMM-VQTJNVASSA-N 1 0 461.676 4.138 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(C)cc1SC ZINC001316196054 1065890626 /nfs/dbraw/zinc/89/06/26/1065890626.db2.gz CIVPNOIKKOJNHJ-FQEVSTJZSA-N 1 0 461.676 4.001 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](OC)c1ccc(Cl)cc1 ZINC001316200246 1065897617 /nfs/dbraw/zinc/89/76/17/1065897617.db2.gz QSAQYKSRNTXHPH-UGKGYDQZSA-N 1 0 494.080 4.354 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC[C@@H](SC)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316204731 1065905319 /nfs/dbraw/zinc/90/53/19/1065905319.db2.gz ZUCCLMNYEYTGME-IFMALSPDSA-N 1 0 488.702 4.076 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCc1ccc(F)cc1 ZINC001316206069 1065907279 /nfs/dbraw/zinc/90/72/79/1065907279.db2.gz LDRBSGZUCAYLKK-DQBMGFJSSA-N 1 0 473.637 4.085 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001316206128 1065907468 /nfs/dbraw/zinc/90/74/68/1065907468.db2.gz LSXYEVGIPJZWML-HYVLGVRCSA-N 1 0 491.721 4.154 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCc1c(C)cccc1C ZINC001316206779 1065908057 /nfs/dbraw/zinc/90/80/57/1065908057.db2.gz RKFNKLGKYWILKS-REWPJTCUSA-N 1 0 469.674 4.172 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCc1c(C)cccc1C ZINC001316206777 1065908286 /nfs/dbraw/zinc/90/82/86/1065908286.db2.gz RKFNKLGKYWILKS-OFNKIYASSA-N 1 0 469.674 4.172 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCc1ccc(C)cc1C ZINC001316207045 1065908446 /nfs/dbraw/zinc/90/84/46/1065908446.db2.gz SPFZRHFOVISRMK-GMAHTHKFSA-N 1 0 469.674 4.172 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001316211781 1065916991 /nfs/dbraw/zinc/91/69/91/1065916991.db2.gz DOQCCHOGOJGOIN-QGZVFWFLSA-N 1 0 493.077 4.092 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC(C)(C)C(F)(F)F ZINC001316216662 1065927487 /nfs/dbraw/zinc/92/74/87/1065927487.db2.gz UFJLIUHXLGHPBX-LJQANCHMSA-N 1 0 483.579 4.221 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001316216816 1065928209 /nfs/dbraw/zinc/92/82/09/1065928209.db2.gz GJUGWKAHOKVDJK-PMACEKPBSA-N 1 0 477.675 4.154 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001316217533 1065929087 /nfs/dbraw/zinc/92/90/87/1065929087.db2.gz IBLSHKXUIAURKF-FYYLOGMGSA-N 1 0 487.714 4.479 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316218598 1065931519 /nfs/dbraw/zinc/93/15/19/1065931519.db2.gz RSBLHNFGYPDDQG-NPDDRXJXSA-N 1 0 495.590 4.301 20 0 JIADRO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001316250320 1065992752 /nfs/dbraw/zinc/99/27/52/1065992752.db2.gz CNZRVRGUJZRPEE-FQEVSTJZSA-N 1 0 476.065 4.352 20 0 JIADRO COCCOCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316257840 1066005547 /nfs/dbraw/zinc/00/55/47/1066005547.db2.gz RNPCBENNWBVJBR-UHFFFAOYSA-N 1 0 462.038 4.106 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316269484 1066012788 /nfs/dbraw/zinc/01/27/88/1066012788.db2.gz ISLXBAXSRFJJDP-MPJJRAAHSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(C)C ZINC001316270882 1066015545 /nfs/dbraw/zinc/01/55/45/1066015545.db2.gz OMFTYTRUKJSLPM-XGAJZPNHSA-N 1 0 455.647 4.147 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CCC[NH+]1CCCCC1 ZINC001316271501 1066017127 /nfs/dbraw/zinc/01/71/27/1066017127.db2.gz GEGVMNCPFTVJMS-MSYCTHLASA-N 1 0 477.600 4.354 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316272767 1066019492 /nfs/dbraw/zinc/01/94/92/1066019492.db2.gz AXTZTRFZEZUBLU-VJBMBRPKSA-N 1 0 477.600 4.037 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001316273803 1066022153 /nfs/dbraw/zinc/02/21/53/1066022153.db2.gz RDQDINSLOZMMMP-SSPYTLHUSA-N 1 0 455.647 4.464 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001316280381 1066034591 /nfs/dbraw/zinc/03/45/91/1066034591.db2.gz FUUYRGAYKQFWLP-XWGVYQGASA-N 1 0 473.637 4.317 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316282548 1066037364 /nfs/dbraw/zinc/03/73/64/1066037364.db2.gz RHMCALZLEBNYMN-FKEBYFGASA-N 1 0 459.679 4.305 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316284469 1066040715 /nfs/dbraw/zinc/04/07/15/1066040715.db2.gz XOFVCQARFDCOTH-HDAAZOAOSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccc(Cl)s1 ZINC001316288306 1066046681 /nfs/dbraw/zinc/04/66/81/1066046681.db2.gz YFMYOQHSLDUWCK-RXVVDRJESA-N 1 0 482.094 4.322 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001316289091 1066047980 /nfs/dbraw/zinc/04/79/80/1066047980.db2.gz HMZJZKRHXYAYHM-NHTMILBNSA-N 1 0 455.647 4.116 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316315010 1066071298 /nfs/dbraw/zinc/07/12/98/1066071298.db2.gz VWFVBFGKSNGLJY-MOPGFXCFSA-N 1 0 462.436 4.053 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316314931 1066071366 /nfs/dbraw/zinc/07/13/66/1066071366.db2.gz VLTFRZHKJAEFFP-XQBPLPMBSA-N 1 0 462.038 4.417 20 0 JIADRO CSC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001316368675 1066114796 /nfs/dbraw/zinc/11/47/96/1066114796.db2.gz DENFNUUDFYUMPW-UHFFFAOYSA-N 1 0 497.713 4.156 20 0 JIADRO CSC(C)(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001316374281 1066131440 /nfs/dbraw/zinc/13/14/40/1066131440.db2.gz VNEQAUKPPMBMTL-AREMUKBSSA-N 1 0 487.714 4.173 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384312 1066153275 /nfs/dbraw/zinc/15/32/75/1066153275.db2.gz SRRIXPNCACXWQG-SFTDATJTSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316395373 1066171626 /nfs/dbraw/zinc/17/16/26/1066171626.db2.gz GUFAONWPHRDZMM-QFIPXVFZSA-N 1 0 473.735 4.046 20 0 JIADRO CS[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396577 1066173524 /nfs/dbraw/zinc/17/35/24/1066173524.db2.gz UNMMXFPLMMPAOI-YADHBBJMSA-N 1 0 473.735 4.230 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC[NH+](C)CC1 ZINC001316398661 1066176299 /nfs/dbraw/zinc/17/62/99/1066176299.db2.gz MHHZADHOIMRNKL-JOCHJYFZSA-N 1 0 475.678 4.318 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC(C(=O)c3ccc(O)cc3)CC2)CC[NH+](C)CC1 ZINC001316399362 1066176978 /nfs/dbraw/zinc/17/69/78/1066176978.db2.gz RJKAQRVPTIFILC-UHFFFAOYSA-N 1 0 471.671 4.034 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316401420 1066179390 /nfs/dbraw/zinc/17/93/90/1066179390.db2.gz AQWGBSRFJDJQNI-OAHLLOKOSA-N 1 0 467.481 4.099 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC2CCOCC2)CC[NH+](C)CC1 ZINC001316403288 1066183886 /nfs/dbraw/zinc/18/38/86/1066183886.db2.gz QFOAKUSKXXAQCM-UHFFFAOYSA-N 1 0 479.094 4.074 20 0 JIADRO CSC1(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001316404149 1066185604 /nfs/dbraw/zinc/18/56/04/1066185604.db2.gz PENLWCDCJCHRJI-UHFFFAOYSA-N 1 0 456.582 4.269 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Br)nnc2N2CCOC(C)(C)C2)CC[NH+](C)CC1 ZINC001316404905 1066187221 /nfs/dbraw/zinc/18/72/21/1066187221.db2.gz SSNLLQKNKUVELP-UHFFFAOYSA-N 1 0 494.503 4.150 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC([NH2+]C(C)C)CC2)CCOCC1 ZINC001316405143 1066187781 /nfs/dbraw/zinc/18/77/81/1066187781.db2.gz YHOQURPTOLFJCZ-UHFFFAOYSA-N 1 0 464.079 4.478 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316406895 1066189946 /nfs/dbraw/zinc/18/99/46/1066189946.db2.gz IEILLMNYKYSKRM-HDICACEKSA-N 1 0 463.692 4.166 20 0 JIADRO CSC1(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccccc2F)CC[NH+](C)CC1 ZINC001316408839 1066193328 /nfs/dbraw/zinc/19/33/28/1066193328.db2.gz RAHPWUMZIWYJPX-IBGZPJMESA-N 1 0 468.646 4.428 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CC=CCC2)CC[NH+](C)CC1 ZINC001316410756 1066199956 /nfs/dbraw/zinc/19/99/56/1066199956.db2.gz DPCGZSJCAKTOEQ-LJQANCHMSA-N 1 0 460.717 4.254 20 0 JIADRO CSC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001316412357 1066202432 /nfs/dbraw/zinc/20/24/32/1066202432.db2.gz IUDMTVKIMWBDPF-IBGZPJMESA-N 1 0 478.707 4.166 20 0 JIADRO CSc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001316412504 1066202920 /nfs/dbraw/zinc/20/29/20/1066202920.db2.gz NMHFOAFEJCNPRJ-JOCHJYFZSA-N 1 0 456.704 4.085 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492498585 1066222569 /nfs/dbraw/zinc/22/25/69/1066222569.db2.gz LEICSZWVTUSPFU-GOSISDBHSA-N 1 0 453.641 4.414 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001316420948 1066226113 /nfs/dbraw/zinc/22/61/13/1066226113.db2.gz BCJXHOWLKRLMDX-VXKWHMMOSA-N 1 0 493.681 4.259 20 0 JIADRO COc1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c3ccccc3n2)cc(OC)c1OC ZINC001324858573 1066231119 /nfs/dbraw/zinc/23/11/19/1066231119.db2.gz UDQDLAWTQNZPBT-LJQANCHMSA-N 1 0 461.562 4.238 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492499233 1066241220 /nfs/dbraw/zinc/24/12/20/1066241220.db2.gz JAKJTFWKWIHIQP-TXRXYBTHSA-N 1 0 480.682 4.287 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316426319 1066245631 /nfs/dbraw/zinc/24/56/31/1066245631.db2.gz YGLFEFREYSSDEL-IBVKSMDESA-N 1 0 484.714 4.269 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316426535 1066246621 /nfs/dbraw/zinc/24/66/21/1066246621.db2.gz JCZNBZJFZJSOJX-RTBURBONSA-N 1 0 464.079 4.289 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427337 1066251033 /nfs/dbraw/zinc/25/10/33/1066251033.db2.gz INLJLGGBTUYNNS-DHIUTWEWSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316428792 1066258346 /nfs/dbraw/zinc/25/83/46/1066258346.db2.gz RTJOJQXTTRFEHV-QFZWGZQFSA-N 1 0 456.704 4.496 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316429157 1066259068 /nfs/dbraw/zinc/25/90/68/1066259068.db2.gz XERWPKJVHJAESN-NIRIFSCTSA-N 1 0 456.704 4.496 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC([C@@H]4c5ccccc5NC4=O)CC3)c(C)c2)CC1 ZINC001325703140 1066264451 /nfs/dbraw/zinc/26/44/51/1066264451.db2.gz FLAKZWMNDZMYFU-RUZDIDTESA-N 1 0 461.610 4.117 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001316430674 1066265593 /nfs/dbraw/zinc/26/55/93/1066265593.db2.gz PTLVUNCFBMGFNM-DHIUTWEWSA-N 1 0 485.677 4.304 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCCCC[NH+]2CCCC2)n1 ZINC001492499771 1066274484 /nfs/dbraw/zinc/27/44/84/1066274484.db2.gz HFPZQJDXMXTJLM-UHFFFAOYSA-N 1 0 490.578 4.303 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492500000 1066276979 /nfs/dbraw/zinc/27/69/79/1066276979.db2.gz LTNXWJSDWHNTCQ-AEFFLSMTSA-N 1 0 490.578 4.158 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492500041 1066279158 /nfs/dbraw/zinc/27/91/58/1066279158.db2.gz NDYNVRXTOKBTRS-SFHVURJKSA-N 1 0 490.578 4.158 20 0 JIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001326469746 1066298828 /nfs/dbraw/zinc/29/88/28/1066298828.db2.gz HKVXZTZQHJWEBN-SANMLTNESA-N 1 0 476.596 4.369 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492501949 1066299308 /nfs/dbraw/zinc/29/93/08/1066299308.db2.gz DKMXTDYDIYVSGA-QHCPKHFHSA-N 1 0 483.060 4.338 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316442402 1066304428 /nfs/dbraw/zinc/30/44/28/1066304428.db2.gz LCQDFRGNSZYKJT-CMKODMSKSA-N 1 0 478.732 4.139 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316443547 1066308155 /nfs/dbraw/zinc/30/81/55/1066308155.db2.gz DAJSFCGXBAAKNH-QZTJIDSGSA-N 1 0 476.691 4.094 20 0 JIADRO C[C@]1(c2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c2)NC(=O)NC1=O ZINC001327213549 1066313799 /nfs/dbraw/zinc/31/37/99/1066313799.db2.gz XCWPZJJLJKSVKA-HHHXNRCGSA-N 1 0 469.520 4.023 20 0 JIADRO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)cc1OCC(N)=O ZINC001327213067 1066313911 /nfs/dbraw/zinc/31/39/11/1066313911.db2.gz MQLMXUATQFCYMA-HSZRJFAPSA-N 1 0 455.352 4.201 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001316446755 1066318818 /nfs/dbraw/zinc/31/88/18/1066318818.db2.gz HSGJDKAKENIQBN-FGZHOGPDSA-N 1 0 479.735 4.380 20 0 JIADRO O[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)COc1ccc(Br)cc1 ZINC001327997411 1066321001 /nfs/dbraw/zinc/32/10/01/1066321001.db2.gz RSCOVNXMLKPHOX-SIKLNZKXSA-N 1 0 456.384 4.101 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492505589 1066323929 /nfs/dbraw/zinc/32/39/29/1066323929.db2.gz CWEAUQZJAORIBD-KGVIQGDOSA-N 1 0 454.619 4.421 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001316448652 1066323909 /nfs/dbraw/zinc/32/39/09/1066323909.db2.gz WWDBTYYGMDLUTH-MZNJEOGPSA-N 1 0 489.686 4.457 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)C2)ccn1 ZINC001328451976 1066324365 /nfs/dbraw/zinc/32/43/65/1066324365.db2.gz VOXBOTAUFZBZEB-QGZVFWFLSA-N 1 0 462.472 4.207 20 0 JIADRO CSCCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316451887 1066332969 /nfs/dbraw/zinc/33/29/69/1066332969.db2.gz NINXZLRCSRPNCR-SFHVURJKSA-N 1 0 481.508 4.254 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509056 1066336480 /nfs/dbraw/zinc/33/64/80/1066336480.db2.gz GNYAIFXMPDHTCK-GJRHBRKLSA-N 1 0 494.709 4.297 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(c4cnn(C)c4)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492509264 1066336972 /nfs/dbraw/zinc/33/69/72/1066336972.db2.gz KYJQRCFUHCUEHB-UHFFFAOYSA-N 1 0 464.662 4.275 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492510465 1066340794 /nfs/dbraw/zinc/34/07/94/1066340794.db2.gz RRTQDOZCNNSINK-HXUWFJFHSA-N 1 0 483.661 4.016 20 0 JIADRO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001316454747 1066341899 /nfs/dbraw/zinc/34/18/99/1066341899.db2.gz UZIFHBHRWQLRKW-DHLKQENFSA-N 1 0 498.741 4.247 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCNc2ncc(Cl)cc2Cl)n1 ZINC001492511056 1066343733 /nfs/dbraw/zinc/34/37/33/1066343733.db2.gz LLUUVBRSIATZBX-UHFFFAOYSA-N 1 0 489.455 4.429 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492511189 1066344264 /nfs/dbraw/zinc/34/42/64/1066344264.db2.gz QOGAXKUDRAIABN-FUDKSRODSA-N 1 0 454.663 4.268 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492511805 1066347870 /nfs/dbraw/zinc/34/78/70/1066347870.db2.gz KLVHGCLMTXPRAO-FQEVSTJZSA-N 1 0 497.688 4.122 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001492512203 1066350607 /nfs/dbraw/zinc/35/06/07/1066350607.db2.gz WLGROJBQGGDKBN-SANMLTNESA-N 1 0 454.663 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492513330 1066352713 /nfs/dbraw/zinc/35/27/13/1066352713.db2.gz AHMWANSBXYQJNT-WOJBJXKFSA-N 1 0 480.579 4.317 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492513947 1066354675 /nfs/dbraw/zinc/35/46/75/1066354675.db2.gz HWPUKCAMOIYHJD-HXUWFJFHSA-N 1 0 480.579 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514519 1066355876 /nfs/dbraw/zinc/35/58/76/1066355876.db2.gz SAWSVJCJFUQJRC-VXKWHMMOSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492514546 1066356072 /nfs/dbraw/zinc/35/60/72/1066356072.db2.gz OKOFJSWXPFNNPU-FCHUYYIVSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001492514816 1066356743 /nfs/dbraw/zinc/35/67/43/1066356743.db2.gz RQKMWYXKGDBYNR-JOCHJYFZSA-N 1 0 497.688 4.216 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001492514809 1066357150 /nfs/dbraw/zinc/35/71/50/1066357150.db2.gz VJYWUOWUNLGIGM-RTWAWAEBSA-N 1 0 497.688 4.215 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358642 /nfs/dbraw/zinc/35/86/42/1066358642.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 1 0 491.661 4.008 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492515631 1066360838 /nfs/dbraw/zinc/36/08/38/1066360838.db2.gz GWSKXMPFAMGIBC-OAQYLSRUSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492515898 1066362475 /nfs/dbraw/zinc/36/24/75/1066362475.db2.gz ICCRQXAEOINHBV-HSZRJFAPSA-N 1 0 483.611 4.150 20 0 JIADRO CSCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001316464482 1066363010 /nfs/dbraw/zinc/36/30/10/1066363010.db2.gz BJIFJOCYWVEFDG-MRXNPFEDSA-N 1 0 464.477 4.381 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccccc2Br)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001316469015 1066373538 /nfs/dbraw/zinc/37/35/38/1066373538.db2.gz LQCMZNZUCDLNNN-SFHVURJKSA-N 1 0 496.519 4.398 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001316470156 1066375639 /nfs/dbraw/zinc/37/56/39/1066375639.db2.gz XPTTUNMOGFTTDE-RBUKOAKNSA-N 1 0 492.690 4.435 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316470642 1066376517 /nfs/dbraw/zinc/37/65/17/1066376517.db2.gz MOFBIWSEJOWWCR-FQEVSTJZSA-N 1 0 467.749 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001492518702 1066380847 /nfs/dbraw/zinc/38/08/47/1066380847.db2.gz NYCIVXQDUDJTPG-UHFFFAOYSA-N 1 0 497.688 4.218 20 0 JIADRO CSCCCn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001316474418 1066382410 /nfs/dbraw/zinc/38/24/10/1066382410.db2.gz WFSRUBCLLWPFFR-PGRDOPGGSA-N 1 0 471.650 4.090 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCc2nccs2)n1 ZINC001492519593 1066383334 /nfs/dbraw/zinc/38/33/34/1066383334.db2.gz RFQIVWHREWIALU-UHFFFAOYSA-N 1 0 453.660 4.296 20 0 JIADRO Cc1cccc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492523192 1066394531 /nfs/dbraw/zinc/39/45/31/1066394531.db2.gz LSFHHIIQRNXQSX-BJKOFHAPSA-N 1 0 487.714 4.339 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489360 1066420134 /nfs/dbraw/zinc/42/01/34/1066420134.db2.gz MWHBWPXWLOOZDO-MCYKXBRJSA-N 1 0 469.527 4.249 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccsc1Br ZINC001316492249 1066429979 /nfs/dbraw/zinc/42/99/79/1066429979.db2.gz GRUDPFOAFPUIKJ-MRXNPFEDSA-N 1 0 496.519 4.429 20 0 JIADRO O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336581679 1066440852 /nfs/dbraw/zinc/44/08/52/1066440852.db2.gz FBYXHOLZPUZBLL-HXUWFJFHSA-N 1 0 474.552 4.406 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C ZINC001316496382 1066445111 /nfs/dbraw/zinc/44/51/11/1066445111.db2.gz KTABLJLODWXRHK-GGAORHGYSA-N 1 0 498.672 4.145 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(F)F ZINC001316497980 1066450880 /nfs/dbraw/zinc/45/08/80/1066450880.db2.gz VQOBXZMENTYGNG-KJXAQDMKSA-N 1 0 491.627 4.189 20 0 JIADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316498692 1066455428 /nfs/dbraw/zinc/45/54/28/1066455428.db2.gz WBWIOKGHNFRWTJ-IRLDBZIGSA-N 1 0 474.694 4.236 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C2CC2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316500054 1066459207 /nfs/dbraw/zinc/45/92/07/1066459207.db2.gz DQYSKUCPGQBVIG-QEEYODRMSA-N 1 0 453.528 4.215 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)C1(F)F ZINC001316502041 1066464038 /nfs/dbraw/zinc/46/40/38/1066464038.db2.gz ZCWJHVCMCBDIGT-BGYRXZFFSA-N 1 0 492.634 4.009 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001316502548 1066466311 /nfs/dbraw/zinc/46/63/11/1066466311.db2.gz LZHNHBRIFLPLMC-XQBPLPMBSA-N 1 0 459.610 4.120 20 0 JIADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001337339442 1066474758 /nfs/dbraw/zinc/47/47/58/1066474758.db2.gz UOBXJMIUNWKODB-UHFFFAOYSA-N 1 0 451.596 4.257 20 0 JIADRO FC(F)(F)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001316511675 1066497709 /nfs/dbraw/zinc/49/77/09/1066497709.db2.gz RNDDDQXZZWHMEN-UHFFFAOYSA-N 1 0 471.955 4.490 20 0 JIADRO FC(F)(F)CO[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001316515086 1066509054 /nfs/dbraw/zinc/50/90/54/1066509054.db2.gz PCOCJSVTLKGHLJ-JOCHJYFZSA-N 1 0 479.591 4.487 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC2CCCCC2)CC1 ZINC001316515524 1066510619 /nfs/dbraw/zinc/51/06/19/1066510619.db2.gz UUCJYJDZYBZFAW-UHFFFAOYSA-N 1 0 466.552 4.011 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccoc2)CC1 ZINC001316515852 1066511788 /nfs/dbraw/zinc/51/17/88/1066511788.db2.gz WCPGYNXBMGDISW-UHFFFAOYSA-N 1 0 483.922 4.331 20 0 JIADRO FC(F)(F)OCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316515969 1066511855 /nfs/dbraw/zinc/51/18/55/1066511855.db2.gz SGNCUTDOPPJWHV-UHFFFAOYSA-N 1 0 487.954 4.074 20 0 JIADRO FC(F)Oc1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001316520117 1066524143 /nfs/dbraw/zinc/52/41/43/1066524143.db2.gz HTQZKDWCZJSTJC-SFHVURJKSA-N 1 0 485.526 4.140 20 0 JIADRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001338004319 1066524042 /nfs/dbraw/zinc/52/40/42/1066524042.db2.gz OURUWIMMNSGPAH-WIOPSUGQSA-N 1 0 452.986 4.021 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[NH+]1CCSCC1 ZINC001316521687 1066527918 /nfs/dbraw/zinc/52/79/18/1066527918.db2.gz IAEHSVGVCIHHBA-AWEZNQCLSA-N 1 0 459.969 4.268 20 0 JIADRO Fc1ccc(OCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCCC(F)(F)F)cc1 ZINC001316525306 1066538663 /nfs/dbraw/zinc/53/86/63/1066538663.db2.gz VCUSUBLJPKBUPX-GOSISDBHSA-N 1 0 455.500 4.403 20 0 JIADRO Fc1ccccc1OCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCCOC(F)(F)F ZINC001316527092 1066543096 /nfs/dbraw/zinc/54/30/96/1066543096.db2.gz VBBDJUZMCKRIOE-UHFFFAOYSA-N 1 0 485.526 4.377 20 0 JIADRO Fc1ccccc1-c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[NH+]1CCCCCC1 ZINC001316527884 1066544972 /nfs/dbraw/zinc/54/49/72/1066544972.db2.gz GPWATOADJOUFOT-UHFFFAOYSA-N 1 0 468.543 4.035 20 0 JIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001338459872 1066557175 /nfs/dbraw/zinc/55/71/75/1066557175.db2.gz ISZNWOQMPOJJGX-FQEVSTJZSA-N 1 0 463.651 4.426 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1)C(C)C ZINC001338496071 1066559639 /nfs/dbraw/zinc/55/96/39/1066559639.db2.gz UWVHNQYNPSFTPM-UHFFFAOYSA-N 1 0 491.101 4.475 20 0 JIADRO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001338528446 1066562164 /nfs/dbraw/zinc/56/21/64/1066562164.db2.gz KMTXZBYXOMFCPP-VWLOTQADSA-N 1 0 461.610 4.139 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001341818211 1066589803 /nfs/dbraw/zinc/58/98/03/1066589803.db2.gz RWBOLFSRXLXMBY-NFBKMPQASA-N 1 0 458.986 4.101 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492536962 1066592600 /nfs/dbraw/zinc/59/26/00/1066592600.db2.gz MDFMYDCJCLLZHT-QQKQFIJSSA-N 1 0 496.700 4.123 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492538398 1066604540 /nfs/dbraw/zinc/60/45/40/1066604540.db2.gz CTQMLFUCOPWHJF-FQEVSTJZSA-N 1 0 452.584 4.154 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585904 1066608609 /nfs/dbraw/zinc/60/86/09/1066608609.db2.gz YIPBJYUFMQRKET-AEFFLSMTSA-N 1 0 485.982 4.456 20 0 JIADRO Cc1cc(CN(C)c2nnc(COc3cccc(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)no1 ZINC001492538805 1066620694 /nfs/dbraw/zinc/62/06/94/1066620694.db2.gz RXRKOKPTKSPEBW-HXUWFJFHSA-N 1 0 452.603 4.363 20 0 JIADRO OCCN(Cc1ccc(Br)s1)c1nnc(-c2ccccc2)n1CC[NH+]1CCCCC1 ZINC001316591883 1066623180 /nfs/dbraw/zinc/62/31/80/1066623180.db2.gz QMCRUCWRPYFDJS-UHFFFAOYSA-N 1 0 490.471 4.254 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541113 1066643629 /nfs/dbraw/zinc/64/36/29/1066643629.db2.gz DRSAZDUEJCQFBU-QFIPXVFZSA-N 1 0 495.590 4.301 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541112 1066643745 /nfs/dbraw/zinc/64/37/45/1066643745.db2.gz DRSAZDUEJCQFBU-JOCHJYFZSA-N 1 0 495.590 4.301 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492541236 1066644422 /nfs/dbraw/zinc/64/44/22/1066644422.db2.gz DVUPMQKWMHWOAR-TZIWHRDSSA-N 1 0 453.587 4.065 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCCC[NH+]2CCCCC2)c1 ZINC001492541483 1066649315 /nfs/dbraw/zinc/64/93/15/1066649315.db2.gz FZHGPOZCDQEWTQ-DHIUTWEWSA-N 1 0 455.647 4.435 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492541799 1066650754 /nfs/dbraw/zinc/65/07/54/1066650754.db2.gz PIHSLTOYMACUFR-HSZRJFAPSA-N 1 0 469.674 4.273 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([C@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492541780 1066650765 /nfs/dbraw/zinc/65/07/65/1066650765.db2.gz PFPOHCVFOLDZKJ-QFIPXVFZSA-N 1 0 455.647 4.006 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC001317741583 1066659874 /nfs/dbraw/zinc/65/98/74/1066659874.db2.gz NJJTYEBHQDEWMK-UHFFFAOYSA-N 1 0 462.594 4.408 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492542796 1066661818 /nfs/dbraw/zinc/66/18/18/1066661818.db2.gz TYDQEEGXUYQPDD-CUWPLCDZSA-N 1 0 493.530 4.217 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c1 ZINC001492543229 1066664877 /nfs/dbraw/zinc/66/48/77/1066664877.db2.gz DZAGKDJIECQEFT-FGZHOGPDSA-N 1 0 455.647 4.338 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001492543343 1066668052 /nfs/dbraw/zinc/66/80/52/1066668052.db2.gz ITTXXZFLIFEXHB-FGZHOGPDSA-N 1 0 498.672 4.001 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2)cc1 ZINC001317758640 1066671301 /nfs/dbraw/zinc/67/13/01/1066671301.db2.gz IJKFYDWXBAUDTI-UHFFFAOYSA-N 1 0 497.705 4.254 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(CN4C(=O)c5ccccc5C4=O)cc(C)c3O)CC2)cc1 ZINC001317758252 1066671358 /nfs/dbraw/zinc/67/13/58/1066671358.db2.gz BFQUCBDGQPPQQI-UHFFFAOYSA-N 1 0 497.595 4.153 20 0 JIADRO COc1cc(CNC(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc(Cl)c1OC ZINC001347312511 1066678262 /nfs/dbraw/zinc/67/82/62/1066678262.db2.gz GYCSRUPXXFCCDO-UHFFFAOYSA-N 1 0 491.032 4.184 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492544699 1066708771 /nfs/dbraw/zinc/70/87/71/1066708771.db2.gz WDQNSFACTSGVBF-RTBURBONSA-N 1 0 451.537 4.429 20 0 JIADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001347985973 1066711957 /nfs/dbraw/zinc/71/19/57/1066711957.db2.gz PHLYHGHKZXIYGC-JOCHJYFZSA-N 1 0 455.624 4.020 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1N1CCCC1=O ZINC001317830243 1066716232 /nfs/dbraw/zinc/71/62/32/1066716232.db2.gz UZNIVRKMRQIDDK-WOJBJXKFSA-N 1 0 450.583 4.053 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001348174478 1066725936 /nfs/dbraw/zinc/72/59/36/1066725936.db2.gz OJJGLIJSNBZMMJ-XMMPIXPASA-N 1 0 450.583 4.254 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001317845178 1066727883 /nfs/dbraw/zinc/72/78/83/1066727883.db2.gz BPRGRSKRPUKSHQ-UHFFFAOYSA-N 1 0 486.682 4.382 20 0 JIADRO Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1N1CC[NH+](C)CC1 ZINC001317846854 1066729264 /nfs/dbraw/zinc/72/92/64/1066729264.db2.gz CSOOJNVKMZVYNS-UHFFFAOYSA-N 1 0 452.562 4.247 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c2cccs2)CC1 ZINC001348256565 1066730791 /nfs/dbraw/zinc/73/07/91/1066730791.db2.gz AUPCNJBUHMCTII-INIZCTEOSA-N 1 0 451.518 4.252 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC001348429399 1066743842 /nfs/dbraw/zinc/74/38/42/1066743842.db2.gz GYYIJEHMWCJALR-UHFFFAOYSA-N 1 0 451.011 4.258 20 0 JIADRO COc1ccc(-n2c(=S)n(CN3CC[NH+](C(C)(C)C)CC3)nc2-c2cccc(OC)c2)cc1 ZINC001317901934 1066771829 /nfs/dbraw/zinc/77/18/29/1066771829.db2.gz FSQHSHUXWGSRMK-UHFFFAOYSA-N 1 0 467.639 4.461 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546413 1066773429 /nfs/dbraw/zinc/77/34/29/1066773429.db2.gz VSJRKFPZJGBZHI-RPWUZVMVSA-N 1 0 496.700 4.171 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001317917039 1066785262 /nfs/dbraw/zinc/78/52/62/1066785262.db2.gz MHBZSONNOLCMLH-QGZVFWFLSA-N 1 0 453.425 4.062 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1cc(N2CCOC2=O)ccc1F)[NH+]1CCCCC1 ZINC001317949243 1066805148 /nfs/dbraw/zinc/80/51/48/1066805148.db2.gz BNVPSGNLCADHGX-NRFANRHFSA-N 1 0 456.518 4.140 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001349107662 1066809460 /nfs/dbraw/zinc/80/94/60/1066809460.db2.gz AYAJKOFHDBFGEQ-IEUSDUHPSA-N 1 0 467.629 4.110 20 0 JIADRO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC001349249094 1066823915 /nfs/dbraw/zinc/82/39/15/1066823915.db2.gz HOAPZJGMQIUZKY-IFMALSPDSA-N 1 0 457.571 4.197 20 0 JIADRO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC001349249103 1066823955 /nfs/dbraw/zinc/82/39/55/1066823955.db2.gz HOAPZJGMQIUZKY-RBBKRZOGSA-N 1 0 457.571 4.197 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC001317976793 1066827687 /nfs/dbraw/zinc/82/76/87/1066827687.db2.gz SCFKKRZFJFMUHB-UHFFFAOYSA-N 1 0 461.610 4.319 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001317989129 1066835241 /nfs/dbraw/zinc/83/52/41/1066835241.db2.gz FMNFTWQCBTZQKA-GASCZTMLSA-N 1 0 451.384 4.260 20 0 JIADRO C[C@@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001318015751 1066853330 /nfs/dbraw/zinc/85/33/30/1066853330.db2.gz JYUDFUHPFSZALN-QGZVFWFLSA-N 1 0 479.404 4.475 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318044161 1066867874 /nfs/dbraw/zinc/86/78/74/1066867874.db2.gz BJLGJTGFAWGAKU-XMMPIXPASA-N 1 0 467.564 4.360 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)c3ccccc3I)c2)C1 ZINC001318046643 1066870121 /nfs/dbraw/zinc/87/01/21/1066870121.db2.gz OXCUTIDMPKCKIV-INIZCTEOSA-N 1 0 491.373 4.005 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 ZINC001318059337 1066876530 /nfs/dbraw/zinc/87/65/30/1066876530.db2.gz UVIVUKUAUBKBIO-SFHVURJKSA-N 1 0 458.400 4.092 20 0 JIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC001318060926 1066877839 /nfs/dbraw/zinc/87/78/39/1066877839.db2.gz UQMMBPPTNMVLLL-UHFFFAOYSA-N 1 0 454.578 4.146 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC001318065354 1066881461 /nfs/dbraw/zinc/88/14/61/1066881461.db2.gz DAXLJEQKVWCGHH-UHFFFAOYSA-N 1 0 461.566 4.083 20 0 JIADRO Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)cc1C ZINC001318073843 1066885878 /nfs/dbraw/zinc/88/58/78/1066885878.db2.gz FEMTVXSCNLYBSP-IBGZPJMESA-N 1 0 462.015 4.068 20 0 JIADRO Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c2)cc1C ZINC001318073848 1066885997 /nfs/dbraw/zinc/88/59/97/1066885997.db2.gz FEMTVXSCNLYBSP-LJQANCHMSA-N 1 0 462.015 4.068 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318084209 1066892004 /nfs/dbraw/zinc/89/20/04/1066892004.db2.gz JOCTZFLGRUZDMM-ZJSFPPFMSA-N 1 0 479.621 4.036 20 0 JIADRO CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001318124682 1066912261 /nfs/dbraw/zinc/91/22/61/1066912261.db2.gz UPLMMNMQAHIVFH-UHFFFAOYSA-N 1 0 460.578 4.457 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001492547125 1066914712 /nfs/dbraw/zinc/91/47/12/1066914712.db2.gz OSWQQAXSZVMWBZ-SANMLTNESA-N 1 0 455.647 4.027 20 0 JIADRO O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001318143044 1066922611 /nfs/dbraw/zinc/92/26/11/1066922611.db2.gz JRSAJDUAJFGVSV-MRXNPFEDSA-N 1 0 454.423 4.373 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2nccnc2C)c1 ZINC001492547553 1066931127 /nfs/dbraw/zinc/93/11/27/1066931127.db2.gz BSJXNZSTODXQLL-UHFFFAOYSA-N 1 0 477.657 4.065 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O)c1ccccc1 ZINC001350226179 1066933932 /nfs/dbraw/zinc/93/39/32/1066933932.db2.gz NZCKOIGSNOKHGW-FQEQIMQSSA-N 1 0 451.592 4.231 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCOC(C)C)c1 ZINC001492547718 1066934651 /nfs/dbraw/zinc/93/46/51/1066934651.db2.gz HXUGWENXINWXOL-UHFFFAOYSA-N 1 0 455.647 4.293 20 0 JIADRO COC[C@H](C)n1c(SCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)nnc1-c1ccccc1 ZINC001318170538 1066937194 /nfs/dbraw/zinc/93/71/94/1066937194.db2.gz WWGAPZDQZMACTN-IBGZPJMESA-N 1 0 465.623 4.479 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001350341878 1066945726 /nfs/dbraw/zinc/94/57/26/1066945726.db2.gz XFZJAWAFIYOLAB-INIZCTEOSA-N 1 0 454.514 4.285 20 0 JIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318204106 1066957150 /nfs/dbraw/zinc/95/71/50/1066957150.db2.gz YJVPJQQSZGEYRQ-REWPJTCUSA-N 1 0 455.002 4.081 20 0 JIADRO Cc1c(-c2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)no2)ccc2c[nH+]cn21 ZINC001350682040 1066988308 /nfs/dbraw/zinc/98/83/08/1066988308.db2.gz PFDJKAFURGSPLS-UHFFFAOYSA-N 1 0 455.497 4.220 20 0 JIADRO CC(C)(C)[NH2+]CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 ZINC001318261288 1066988558 /nfs/dbraw/zinc/98/85/58/1066988558.db2.gz ZOXSVMSPCZMYNV-UHFFFAOYSA-N 1 0 469.298 4.009 20 0 JIADRO Cc1ccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1NC(=O)c1ccccc1F ZINC001318262372 1066989410 /nfs/dbraw/zinc/98/94/10/1066989410.db2.gz OIYMKLWIDMBTCV-UHFFFAOYSA-N 1 0 460.553 4.068 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](C[C@@H]3CCCO3)C(F)(F)F)c(C(F)(F)F)c2)CC1 ZINC001350690601 1066989528 /nfs/dbraw/zinc/98/95/28/1066989528.db2.gz GXHRQIMULMKMAV-HOCLYGCPSA-N 1 0 453.427 4.143 20 0 JIADRO C[NH+]1CCN(c2ccccc2C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC001318268056 1066992780 /nfs/dbraw/zinc/99/27/80/1066992780.db2.gz CFWDSBMAPSDZSO-UHFFFAOYSA-N 1 0 465.601 4.280 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)c2)CC1 ZINC001318281423 1067000570 /nfs/dbraw/zinc/00/05/70/1067000570.db2.gz ROTASMQFDGXOKR-XMMPIXPASA-N 1 0 452.599 4.223 20 0 JIADRO CCOc1ccc(CN(C)C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1OC ZINC001318311307 1067012094 /nfs/dbraw/zinc/01/20/94/1067012094.db2.gz RCGKDVSGFAPKAS-LJQANCHMSA-N 1 0 472.605 4.278 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccn2-c2cccc(I)c2)CC1 ZINC001318331141 1067020324 /nfs/dbraw/zinc/02/03/24/1067020324.db2.gz WCTJZVALOQVMPE-UHFFFAOYSA-N 1 0 451.352 4.028 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@](C)(O)CCC(C)C ZINC001300683726 1067021022 /nfs/dbraw/zinc/02/10/22/1067021022.db2.gz NFIVBLTVZPTBSS-LVXARBLLSA-N 1 0 487.714 4.441 20 0 JIADRO CCOc1cc(C[NH2+]Cc2cc3cccc(OC)c3o2)cc(Br)c1OCC(=O)N(C)C ZINC001318339965 1067023533 /nfs/dbraw/zinc/02/35/33/1067023533.db2.gz DOKOASHBJXGCBM-UHFFFAOYSA-N 1 0 491.382 4.359 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300684315 1067023492 /nfs/dbraw/zinc/02/34/92/1067023492.db2.gz SHVOXSLGSULCSR-RBUKOAKNSA-N 1 0 485.654 4.479 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC001318340294 1067024132 /nfs/dbraw/zinc/02/41/32/1067024132.db2.gz NSQBMIYYJOTYAR-UHFFFAOYSA-N 1 0 483.556 4.453 20 0 JIADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1 ZINC001318346582 1067026677 /nfs/dbraw/zinc/02/66/77/1067026677.db2.gz YWTFNZHPXYEFJU-UHFFFAOYSA-N 1 0 469.589 4.211 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300685737 1067026974 /nfs/dbraw/zinc/02/69/74/1067026974.db2.gz BCTFBWGXADUISY-FGTMMUONSA-N 1 0 461.701 4.392 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCC(Nc2ccccc2)CC1 ZINC001318348038 1067027595 /nfs/dbraw/zinc/02/75/95/1067027595.db2.gz RAKJFSRKZCCSSE-UHFFFAOYSA-N 1 0 456.034 4.138 20 0 JIADRO COc1cc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)ccc1OCC[NH+](C)C ZINC001318355537 1067029870 /nfs/dbraw/zinc/02/98/70/1067029870.db2.gz APVPJXDIHFBZFF-UHFFFAOYSA-N 1 0 485.588 4.177 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001351008973 1067031737 /nfs/dbraw/zinc/03/17/37/1067031737.db2.gz VYZCSRAFHARLSB-NQIIRXRSSA-N 1 0 457.665 4.412 20 0 JIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3OC(F)F)cc2)C[C@@H](C)O1 ZINC001318367262 1067032904 /nfs/dbraw/zinc/03/29/04/1067032904.db2.gz KLBZTAHBVXGGRG-HUUCEWRRSA-N 1 0 470.463 4.429 20 0 JIADRO COc1ccc([C@H](CNC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[NH+]2CCCCC2)cc1 ZINC001351032384 1067034659 /nfs/dbraw/zinc/03/46/59/1067034659.db2.gz ADGNANJNSVVQMG-FCHUYYIVSA-N 1 0 459.949 4.324 20 0 JIADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1coc2c1C(=O)NCC(C)(C)C2)Cc1ccccc1 ZINC001354673563 1067036462 /nfs/dbraw/zinc/03/64/62/1067036462.db2.gz FNVNFWMRBZYYOF-UHFFFAOYSA-N 1 0 459.590 4.366 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc3c(Br)cnn3c2)[NH+]2CCCCC2)cc1 ZINC001354675457 1067036825 /nfs/dbraw/zinc/03/68/25/1067036825.db2.gz AIHMKBKTZILVGW-OAQYLSRUSA-N 1 0 457.372 4.062 20 0 JIADRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001318404001 1067038479 /nfs/dbraw/zinc/03/84/79/1067038479.db2.gz QHBFHDQAOSTEPM-UXHICEINSA-N 1 0 450.004 4.052 20 0 JIADRO Cc1csc(SCc2ccccc2C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC001318434198 1067042436 /nfs/dbraw/zinc/04/24/36/1067042436.db2.gz RDWLOXXCPNOKIF-UHFFFAOYSA-N 1 0 466.676 4.421 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001318459390 1067045431 /nfs/dbraw/zinc/04/54/31/1067045431.db2.gz XSOKAIMLKKDBLU-UHFFFAOYSA-N 1 0 479.625 4.053 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001318478735 1067047522 /nfs/dbraw/zinc/04/75/22/1067047522.db2.gz NJCHVESYGLWCMZ-UHFFFAOYSA-N 1 0 493.585 4.107 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300696514 1067054039 /nfs/dbraw/zinc/05/40/39/1067054039.db2.gz DEJKRVHPYIATHX-QFIPXVFZSA-N 1 0 462.642 4.277 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001351198799 1067058430 /nfs/dbraw/zinc/05/84/30/1067058430.db2.gz YZAUDBHBDJHZRO-UHFFFAOYSA-N 1 0 456.590 4.063 20 0 JIADRO COc1ccncc1Cn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001300701576 1067061964 /nfs/dbraw/zinc/06/19/64/1067061964.db2.gz CXZNFWZQTSGORR-HXUWFJFHSA-N 1 0 486.414 4.368 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001545692152 1067075019 /nfs/dbraw/zinc/07/50/19/1067075019.db2.gz PDIZLDHCBIZMAN-VABKMULXSA-N 1 0 466.674 4.341 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001354752538 1067076663 /nfs/dbraw/zinc/07/66/63/1067076663.db2.gz VITCBSLVFXBRLT-OAQYLSRUSA-N 1 0 456.384 4.175 20 0 JIADRO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC001351438921 1067095481 /nfs/dbraw/zinc/09/54/81/1067095481.db2.gz JXYSUTJNXKFLGV-PGMHBOJBSA-N 1 0 455.624 4.011 20 0 JIADRO O=C(NCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001321214410 1067101096 /nfs/dbraw/zinc/10/10/96/1067101096.db2.gz AHJNOGKLTYUJQB-NRFANRHFSA-N 1 0 487.444 4.006 20 0 JIADRO COC1CCC(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300720292 1067104788 /nfs/dbraw/zinc/10/47/88/1067104788.db2.gz BCCZPLIXYIPGNI-VRKFHHGPSA-N 1 0 459.610 4.293 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001321530100 1067157316 /nfs/dbraw/zinc/15/73/16/1067157316.db2.gz CTMIMBHEYAHBLI-IBGZPJMESA-N 1 0 450.608 4.151 20 0 JIADRO CCN(CC[NH+]1CCCC1)C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200799363 1067183232 /nfs/dbraw/zinc/18/32/32/1067183232.db2.gz KRSORMAXHBFPDK-UHFFFAOYSA-N 1 0 453.219 4.465 20 0 JIADRO COC1CCC(Cn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)CC1 ZINC001300735058 1067191216 /nfs/dbraw/zinc/19/12/16/1067191216.db2.gz HBLZRIDRMNDMAM-VNMGMYBJSA-N 1 0 471.694 4.034 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2cccc(OCC(C)C)c2)CC1 ZINC001351782557 1067205125 /nfs/dbraw/zinc/20/51/25/1067205125.db2.gz WRSXNVXYXWFSNL-HXUWFJFHSA-N 1 0 457.590 4.259 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cn2c(Br)cnc2s1 ZINC001351788510 1067207369 /nfs/dbraw/zinc/20/73/69/1067207369.db2.gz FXUYNMCMEFJGHH-UHFFFAOYSA-N 1 0 451.415 4.002 20 0 JIADRO COCCCC[NH+]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200802219 1067207702 /nfs/dbraw/zinc/20/77/02/1067207702.db2.gz VEQDQVLMJMGUSO-UHFFFAOYSA-N 1 0 483.245 4.092 20 0 JIADRO C[NH+]1CCC2(CCN(C(=S)Nc3c(F)cc(Br)cc3Br)C2)CC1 ZINC001200802475 1067209200 /nfs/dbraw/zinc/20/92/00/1067209200.db2.gz XBDCEMQECBOPIJ-UHFFFAOYSA-N 1 0 465.230 4.465 20 0 JIADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=S)Nc1c(F)cc(Br)cc1Br)C2 ZINC001200804763 1067220403 /nfs/dbraw/zinc/22/04/03/1067220403.db2.gz XIVZZTHFUFRAOZ-JGPRNRPPSA-N 1 0 451.203 4.262 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4cc(Br)ccc4c3)cc21 ZINC001351866114 1067228007 /nfs/dbraw/zinc/22/80/07/1067228007.db2.gz RQXYMYKXVKJKCZ-UHFFFAOYSA-N 1 0 454.324 4.324 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001351891243 1067232594 /nfs/dbraw/zinc/23/25/94/1067232594.db2.gz AJUHELSTQVKOEQ-NRFANRHFSA-N 1 0 456.631 4.113 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)CC2)cc1 ZINC001322020970 1067240191 /nfs/dbraw/zinc/24/01/91/1067240191.db2.gz LJTNFAVXQSHIKG-UHFFFAOYSA-N 1 0 453.384 4.496 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC001322120150 1067254140 /nfs/dbraw/zinc/25/41/40/1067254140.db2.gz JJROWPLBELXXPI-WXLHYIFQSA-N 1 0 469.695 4.325 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001200814807 1067272997 /nfs/dbraw/zinc/27/29/97/1067272997.db2.gz SHQDUMLZAQNLKN-HNNXBMFYSA-N 1 0 467.470 4.019 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300756851 1067285114 /nfs/dbraw/zinc/28/51/14/1067285114.db2.gz ZMJLBYBGFHKBKB-REWPJTCUSA-N 1 0 459.610 4.294 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001492492742 1067288440 /nfs/dbraw/zinc/28/84/40/1067288440.db2.gz QZDLCUOXCSEMLG-QFIPXVFZSA-N 1 0 452.647 4.044 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300758900 1067293752 /nfs/dbraw/zinc/29/37/52/1067293752.db2.gz YHRFNPVUQNIQRD-WMZOPIPTSA-N 1 0 479.448 4.015 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001352132171 1067295887 /nfs/dbraw/zinc/29/58/87/1067295887.db2.gz JIOHEXRUNHAVHE-UHFFFAOYSA-N 1 0 455.925 4.004 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc(CNC(C)=O)s1)C(=S)NCc1ccc(OC)cc1 ZINC001322463517 1067297006 /nfs/dbraw/zinc/29/70/06/1067297006.db2.gz QYYXFXUVQRVRQD-UHFFFAOYSA-O 1 0 482.651 4.244 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC[N@H+](C)C(C)C)C1 ZINC001300761020 1067299446 /nfs/dbraw/zinc/29/94/46/1067299446.db2.gz PIFOIADFSSPDDB-OAQYLSRUSA-N 1 0 453.587 4.073 20 0 JIADRO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001354966019 1067308758 /nfs/dbraw/zinc/30/87/58/1067308758.db2.gz QXPAOBYSZABLMP-HSZRJFAPSA-N 1 0 453.652 4.143 20 0 JIADRO COCCCOc1cccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1C ZINC001352212068 1067311101 /nfs/dbraw/zinc/31/11/01/1067311101.db2.gz BRSYMWJDYDWUGT-UHFFFAOYSA-N 1 0 453.583 4.477 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)[NH+]1CCCC1 ZINC001322972130 1067312253 /nfs/dbraw/zinc/31/22/53/1067312253.db2.gz VPWMTBUJHBEGBQ-HXUWFJFHSA-N 1 0 487.373 4.349 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001354984569 1067317384 /nfs/dbraw/zinc/31/73/84/1067317384.db2.gz MDXHNYKDVWXVLN-WMZOPIPTSA-N 1 0 451.011 4.066 20 0 JIADRO COc1cccc([C@H](CNC(=O)N2CC[NH+](C(C)(C)C)CC2)c2c[nH]c3ccccc32)c1OC ZINC001323632132 1067324320 /nfs/dbraw/zinc/32/43/20/1067324320.db2.gz ZWPGHWORTKENBH-QFIPXVFZSA-N 1 0 464.610 4.443 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492580403 1067324465 /nfs/dbraw/zinc/32/44/65/1067324465.db2.gz CTRLWLQAPRUVKI-QDSKXPNFSA-N 1 0 496.700 4.257 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352288043 1067325214 /nfs/dbraw/zinc/32/52/14/1067325214.db2.gz KGRDMYSUXAHFQI-FGZHOGPDSA-N 1 0 455.624 4.296 20 0 JIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 ZINC001323880202 1067327944 /nfs/dbraw/zinc/32/79/44/1067327944.db2.gz GZNMQPIZRWBBEF-UHFFFAOYSA-N 1 0 489.389 4.425 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC001352319059 1067331552 /nfs/dbraw/zinc/33/15/52/1067331552.db2.gz WQONNCISTDOPNC-LJQANCHMSA-N 1 0 450.505 4.204 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001300783532 1067341362 /nfs/dbraw/zinc/34/13/62/1067341362.db2.gz ZOYRMMKEQPEHQE-UHFFFAOYSA-N 1 0 492.668 4.362 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C ZINC001200003416 1067341781 /nfs/dbraw/zinc/34/17/81/1067341781.db2.gz MISBRKJHCNOWCT-QFIPXVFZSA-N 1 0 458.628 4.179 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001300783936 1067343149 /nfs/dbraw/zinc/34/31/49/1067343149.db2.gz GIJOSCAUJJNYLS-GHTZIAJQSA-N 1 0 461.676 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001300784349 1067343661 /nfs/dbraw/zinc/34/36/61/1067343661.db2.gz JJAHHPCAZSBTAE-FPYOTAMTSA-N 1 0 475.703 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001300784573 1067343978 /nfs/dbraw/zinc/34/39/78/1067343978.db2.gz KKQLMEGSGGMCGX-RBBKRZOGSA-N 1 0 485.673 4.149 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001300784594 1067344069 /nfs/dbraw/zinc/34/40/69/1067344069.db2.gz KUPSIVNVJINMTC-SFTDATJTSA-N 1 0 478.682 4.084 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC001300784534 1067344221 /nfs/dbraw/zinc/34/42/21/1067344221.db2.gz JVSFEWXXJJKDSL-QFIPXVFZSA-N 1 0 459.635 4.070 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001300785122 1067345780 /nfs/dbraw/zinc/34/57/80/1067345780.db2.gz AVJSAEZIXUBIQM-WOJBJXKFSA-N 1 0 473.637 4.368 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001300785116 1067345907 /nfs/dbraw/zinc/34/59/07/1067345907.db2.gz ATCJHPLQCMWWOZ-QFIPXVFZSA-N 1 0 499.700 4.367 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CC[N@H+]2CC=CCC2)c(OC)c1 ZINC001300003088 1067346114 /nfs/dbraw/zinc/34/61/14/1067346114.db2.gz ZTNOWBUGIVJUHQ-UHFFFAOYSA-N 1 0 453.612 4.231 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001300785233 1067346175 /nfs/dbraw/zinc/34/61/75/1067346175.db2.gz JJCBEMFHZRYPAL-WAUFSOIDSA-N 1 0 487.714 4.055 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC[NH+]2CCCC2)cc1Br ZINC001300003657 1067347978 /nfs/dbraw/zinc/34/79/78/1067347978.db2.gz QHLKYKGDQOVEHM-UHFFFAOYSA-N 1 0 491.459 4.213 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300004006 1067349610 /nfs/dbraw/zinc/34/96/10/1067349610.db2.gz ZWXANJPAOKZHHF-IBGZPJMESA-N 1 0 493.578 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001300786855 1067350325 /nfs/dbraw/zinc/35/03/25/1067350325.db2.gz SMGHHNFMVNDZOL-HXUWFJFHSA-N 1 0 451.725 4.478 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300009768 1067361111 /nfs/dbraw/zinc/36/11/11/1067361111.db2.gz WEEQTMQVAMJSKE-OAQYLSRUSA-N 1 0 455.647 4.471 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001300792764 1067363440 /nfs/dbraw/zinc/36/34/40/1067363440.db2.gz ZPJYXAVHIWUDKY-KIFXHHALSA-N 1 0 482.673 4.273 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793697 1067365910 /nfs/dbraw/zinc/36/59/10/1067365910.db2.gz ALNYVCXRXIDEFU-GCJKJVERSA-N 1 0 494.503 4.006 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001492580554 1067366380 /nfs/dbraw/zinc/36/63/80/1067366380.db2.gz HRDKBSINZLFOQH-QFIPXVFZSA-N 1 0 480.701 4.039 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)F)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)cc1OC ZINC001300012473 1067366905 /nfs/dbraw/zinc/36/69/05/1067366905.db2.gz YYLDAOXLNATRFP-UHFFFAOYSA-N 1 0 486.567 4.406 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492555212 1067375073 /nfs/dbraw/zinc/37/50/73/1067375073.db2.gz GMAJAFXKGMORQM-FCHUYYIVSA-N 1 0 452.647 4.027 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492581007 1067378759 /nfs/dbraw/zinc/37/87/59/1067378759.db2.gz TYZFPNLELOJZTM-ZDXQCDESSA-N 1 0 496.700 4.401 20 0 JIADRO COc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2CC[N@@H+]2CCC[C@H]2C)c(OC)c1 ZINC001300017645 1067379975 /nfs/dbraw/zinc/37/99/75/1067379975.db2.gz ZXCPFJMKQHEZDZ-LJQANCHMSA-N 1 0 453.587 4.455 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300019661 1067382758 /nfs/dbraw/zinc/38/27/58/1067382758.db2.gz UOHPJMRKEBEHCH-QFIPXVFZSA-N 1 0 485.673 4.477 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCCC(C)(C)C)cc1 ZINC001300021172 1067385223 /nfs/dbraw/zinc/38/52/23/1067385223.db2.gz BYOLZJHKNUSQKG-PXDATVDWSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300023000 1067390751 /nfs/dbraw/zinc/39/07/51/1067390751.db2.gz AYQKGTJEZTUJOM-HKBOAZHASA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300022999 1067390838 /nfs/dbraw/zinc/39/08/38/1067390838.db2.gz AYQKGTJEZTUJOM-ACRUOGEOSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001300023297 1067392151 /nfs/dbraw/zinc/39/21/51/1067392151.db2.gz FAJIKVQIFZOJFS-IAGOWNOFSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001300023792 1067393070 /nfs/dbraw/zinc/39/30/70/1067393070.db2.gz IWSKFDWQCDHIBJ-QHCPKHFHSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300024874 1067394808 /nfs/dbraw/zinc/39/48/08/1067394808.db2.gz PGMVTPMIKAWUMZ-UGKGYDQZSA-N 1 0 455.647 4.325 20 0 JIADRO CCCNC(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1 ZINC001352473542 1067425060 /nfs/dbraw/zinc/42/50/60/1067425060.db2.gz GEQOSEBFHTUIKS-UHFFFAOYSA-N 1 0 450.583 4.283 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001352473525 1067425184 /nfs/dbraw/zinc/42/51/84/1067425184.db2.gz FFBVIJQBYPTSMZ-SFHVURJKSA-N 1 0 454.537 4.104 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300032197 1067425748 /nfs/dbraw/zinc/42/57/48/1067425748.db2.gz DOAFIPUFIVAHJK-DCLXLUIPSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001300032925 1067429727 /nfs/dbraw/zinc/42/97/27/1067429727.db2.gz JEZGLLOWGABLGV-QGZVFWFLSA-N 1 0 490.446 4.326 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(C(C)(C)C)c2I)c1 ZINC001355362651 1067433835 /nfs/dbraw/zinc/43/38/35/1067433835.db2.gz QCXDDSSMESVANC-UHFFFAOYSA-N 1 0 454.356 4.337 20 0 JIADRO COc1ccc(Br)cc1-c1ncc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)s1 ZINC001352524269 1067478809 /nfs/dbraw/zinc/47/88/09/1067478809.db2.gz GEJSGESMHSRGPU-UHFFFAOYSA-N 1 0 456.325 4.414 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCOC(C)(C)C)c(OC)c1 ZINC001300044064 1067485650 /nfs/dbraw/zinc/48/56/50/1067485650.db2.gz MBSVNCVZJNXAIR-UHFFFAOYSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300051122 1067513314 /nfs/dbraw/zinc/51/33/14/1067513314.db2.gz BZYIVAFROHCZGS-YZIHRLCOSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300052601 1067523150 /nfs/dbraw/zinc/52/31/50/1067523150.db2.gz CEGWYBWHSQYLMQ-PKTZIBPZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300052603 1067523701 /nfs/dbraw/zinc/52/37/01/1067523701.db2.gz CEGWYBWHSQYLMQ-XZOQPEGZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc1OC ZINC001200071747 1067524161 /nfs/dbraw/zinc/52/41/61/1067524161.db2.gz DDKUQDYAPPJXFU-QHCPKHFHSA-N 1 0 457.640 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](n4cc(C)cn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054924 1067534534 /nfs/dbraw/zinc/53/45/34/1067534534.db2.gz AAOWCQVNJBVCAN-DHIUTWEWSA-N 1 0 495.672 4.285 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492582876 1067535112 /nfs/dbraw/zinc/53/51/12/1067535112.db2.gz WJWVXMIFHZSGID-XZOQPEGZSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492583048 1067538491 /nfs/dbraw/zinc/53/84/91/1067538491.db2.gz BOHCYEBGOSJYKK-IFMALSPDSA-N 1 0 479.591 4.457 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300056171 1067539751 /nfs/dbraw/zinc/53/97/51/1067539751.db2.gz MGKLARMSQRIBNB-QFIPXVFZSA-N 1 0 498.672 4.323 20 0 JIADRO CC(C)c1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cnn1-c1ccc(F)cc1 ZINC001355689595 1067552022 /nfs/dbraw/zinc/55/20/22/1067552022.db2.gz ANOGVRSSMBTBBW-UHFFFAOYSA-N 1 0 450.562 4.313 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCNC(=O)C(C)C ZINC001492584075 1067555916 /nfs/dbraw/zinc/55/59/16/1067555916.db2.gz CVHNHGXWQCNJDI-XMMPIXPASA-N 1 0 480.701 4.042 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492584272 1067559166 /nfs/dbraw/zinc/55/91/66/1067559166.db2.gz HEVFIECIGXZBEF-URXFXBBRSA-N 1 0 496.700 4.259 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCn2nc(C)cc2C)cc1OC ZINC001300061195 1067562522 /nfs/dbraw/zinc/56/25/22/1067562522.db2.gz BQPADPFYOBVUIQ-UHFFFAOYSA-N 1 0 495.672 4.177 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2sc(C)nc2C)cc1OC ZINC001300061425 1067564355 /nfs/dbraw/zinc/56/43/55/1067564355.db2.gz HFNUYNOEHLPQRK-UHFFFAOYSA-N 1 0 470.643 4.004 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300061661 1067565477 /nfs/dbraw/zinc/56/54/77/1067565477.db2.gz MIAMHWSAKXTQMN-FYYLOGMGSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOC(C)C)cc1Br ZINC001300062549 1067570249 /nfs/dbraw/zinc/57/02/49/1067570249.db2.gz DNGVWBHGIPSTMK-UHFFFAOYSA-N 1 0 480.451 4.062 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1 ZINC001352616531 1067582232 /nfs/dbraw/zinc/58/22/32/1067582232.db2.gz KEAVXDWBWQVJGW-DEOSSOPVSA-N 1 0 457.574 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[C@@H]2CCCCO2)cc1OC ZINC001300067239 1067583232 /nfs/dbraw/zinc/58/32/32/1067583232.db2.gz MGWKPBCDNQPZGA-NRFANRHFSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001300070530 1067590941 /nfs/dbraw/zinc/59/09/41/1067590941.db2.gz HLWSGKUGZBXTME-HXUWFJFHSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)cc1 ZINC001300070924 1067591897 /nfs/dbraw/zinc/59/18/97/1067591897.db2.gz ODRJVAOUOYWVGE-AREMUKBSSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c(OC)c1 ZINC001300074417 1067598253 /nfs/dbraw/zinc/59/82/53/1067598253.db2.gz FUPZPFOKQHRCCP-SQJMNOBHSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300075455 1067600702 /nfs/dbraw/zinc/60/07/02/1067600702.db2.gz MDUAYHBKCXGHLK-LJQANCHMSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2C[C@H](OC)C(C)(C)C)cc1 ZINC001300077244 1067606492 /nfs/dbraw/zinc/60/64/92/1067606492.db2.gz ZPJZSTJKCYSALZ-QHCPKHFHSA-N 1 0 483.682 4.441 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300077764 1067608861 /nfs/dbraw/zinc/60/88/61/1067608861.db2.gz ZXPDOIZNWQVPID-NZQKXSOJSA-N 1 0 455.647 4.470 20 0 JIADRO O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CCN(C(=S)Nc2cccc3ccccc32)CC1 ZINC001200098711 1067612420 /nfs/dbraw/zinc/61/24/20/1067612420.db2.gz UGBMJWULORSKJH-NDEPHWFRSA-N 1 0 485.657 4.036 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001300083129 1067621873 /nfs/dbraw/zinc/62/18/73/1067621873.db2.gz JYRUJEMYOCFLIY-MSOLQXFVSA-N 1 0 492.462 4.062 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(Cl)c3ccccc31)CC2 ZINC001200107004 1067632839 /nfs/dbraw/zinc/63/28/39/1067632839.db2.gz CGPGOMUJJOEMKR-HXUWFJFHSA-N 1 0 486.037 4.332 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001300088858 1067638972 /nfs/dbraw/zinc/63/89/72/1067638972.db2.gz LJZZPEBHLDXEPH-SJLPKXTDSA-N 1 0 481.563 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300089404 1067641077 /nfs/dbraw/zinc/64/10/77/1067641077.db2.gz QIHWJVQMIDABTK-QKNQBKEWSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300090546 1067646606 /nfs/dbraw/zinc/64/66/06/1067646606.db2.gz WHMGMZOQOWWSBK-UWJYYQICSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)c(OC)c1 ZINC001300098944 1067668519 /nfs/dbraw/zinc/66/85/19/1067668519.db2.gz SYIDESLQLHNPDA-QFIPXVFZSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300099230 1067670246 /nfs/dbraw/zinc/67/02/46/1067670246.db2.gz DIMFKNZEBBSHTF-IAGOWNOFSA-N 1 0 489.462 4.309 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC001356138253 1067670182 /nfs/dbraw/zinc/67/01/82/1067670182.db2.gz DZMCIVMRCLNNEM-UHFFFAOYSA-N 1 0 455.624 4.107 20 0 JIADRO C[C@@H](c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1)N1CCOCC1 ZINC001200122751 1067685990 /nfs/dbraw/zinc/68/59/90/1067685990.db2.gz VWDPFZUKDCBTBO-SFHVURJKSA-N 1 0 458.553 4.144 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300104911 1067688322 /nfs/dbraw/zinc/68/83/22/1067688322.db2.gz KJDPCFJIUCPIKG-QHCPKHFHSA-N 1 0 482.717 4.284 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300113769 1067719388 /nfs/dbraw/zinc/71/93/88/1067719388.db2.gz IIGPNHBRSWQSQG-YADHBBJMSA-N 1 0 499.700 4.028 20 0 JIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC001356303315 1067719840 /nfs/dbraw/zinc/71/98/40/1067719840.db2.gz VNPXQLISMZTLHK-DEOSSOPVSA-N 1 0 457.574 4.480 20 0 JIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC001356303316 1067719941 /nfs/dbraw/zinc/71/99/41/1067719941.db2.gz VNPXQLISMZTLHK-XMMPIXPASA-N 1 0 457.574 4.480 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300114286 1067721523 /nfs/dbraw/zinc/72/15/23/1067721523.db2.gz NINNCDPGMPFLCZ-OAQYLSRUSA-N 1 0 477.657 4.009 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300115076 1067723618 /nfs/dbraw/zinc/72/36/18/1067723618.db2.gz YRPDXWUEAGEJOT-COPRSSIGSA-N 1 0 469.674 4.052 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001356367629 1067737041 /nfs/dbraw/zinc/73/70/41/1067737041.db2.gz BPBMHAWBQZTBBY-PKTZIBPZSA-N 1 0 456.631 4.334 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001300124950 1067749079 /nfs/dbraw/zinc/74/90/79/1067749079.db2.gz APGNRTQTGXQUNL-DCFHFQCYSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300125481 1067750525 /nfs/dbraw/zinc/75/05/25/1067750525.db2.gz GGGICLVCIYORKG-OAQYLSRUSA-N 1 0 495.590 4.104 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](c2cccnc2)C(C)C)cc1 ZINC001300127028 1067756671 /nfs/dbraw/zinc/75/66/71/1067756671.db2.gz SRIITKBNKCVESV-SANMLTNESA-N 1 0 476.669 4.437 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(SC)CCC2)cc1 ZINC001300127322 1067758362 /nfs/dbraw/zinc/75/83/62/1067758362.db2.gz MLZXKLRNLMSSKY-UHFFFAOYSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300127918 1067760069 /nfs/dbraw/zinc/76/00/69/1067760069.db2.gz DAPKLWAZPMZJGK-MESAYYPLSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001300128736 1067762140 /nfs/dbraw/zinc/76/21/40/1067762140.db2.gz UIVXDQMEIMLIIW-QHCPKHFHSA-N 1 0 457.688 4.136 20 0 JIADRO Cc1cc([C@H](CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001356508490 1067767422 /nfs/dbraw/zinc/76/74/22/1067767422.db2.gz ZMWOPFUQQQFSSE-AOIWGVFYSA-N 1 0 453.027 4.378 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132747 1067771219 /nfs/dbraw/zinc/77/12/19/1067771219.db2.gz DRMDYSKUCPDGKE-VWNXMTODSA-N 1 0 469.674 4.370 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001352861991 1067772336 /nfs/dbraw/zinc/77/23/36/1067772336.db2.gz MAXVGDZNAJPHHD-UHFFFAOYSA-N 1 0 452.427 4.373 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(-n3ccc(C)n3)c2)ccc1Cl ZINC001356555221 1067777540 /nfs/dbraw/zinc/77/75/40/1067777540.db2.gz PGAZMIUTKYZPTG-UHFFFAOYSA-N 1 0 453.974 4.158 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2sccc2Br)ccc1Cl ZINC001356555454 1067778094 /nfs/dbraw/zinc/77/80/94/1067778094.db2.gz SRSXURKXENYYGP-UHFFFAOYSA-N 1 0 458.809 4.488 20 0 JIADRO Cc1ccc(NC(=S)NCCC[N@H+](C)CCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC001200156822 1067779318 /nfs/dbraw/zinc/77/93/18/1067779318.db2.gz SBUAPLBRGSWOEG-UHFFFAOYSA-N 1 0 473.481 4.281 20 0 JIADRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC000849059626 1067789405 /nfs/dbraw/zinc/78/94/05/1067789405.db2.gz YGVXUPJWAOIKBQ-UHFFFAOYSA-N 1 0 481.984 4.391 20 0 JIADRO COC(=O)c1cccc(C[NH+]2CCC(NC(=S)Nc3ccc(C)cc3Br)CC2)c1 ZINC001200160993 1067789399 /nfs/dbraw/zinc/78/93/99/1067789399.db2.gz OJTFXOYHVYYVOY-UHFFFAOYSA-N 1 0 476.440 4.495 20 0 JIADRO C[C@H]1CN([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2c(F)cccc2Cl)CCO1 ZINC000849058167 1067789504 /nfs/dbraw/zinc/78/95/04/1067789504.db2.gz RGVWIVQOIYVKQW-HNAYVOBHSA-N 1 0 462.953 4.039 20 0 JIADRO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000849066486 1067795059 /nfs/dbraw/zinc/79/50/59/1067795059.db2.gz CYURYEZVWAJKPF-UHFFFAOYSA-N 1 0 464.507 4.239 20 0 JIADRO COc1ccc(CCNC(=[NH2+])NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1OC ZINC000849068219 1067796394 /nfs/dbraw/zinc/79/63/94/1067796394.db2.gz OOSADWKHYPIJSV-UHFFFAOYSA-N 1 0 475.515 4.382 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492584455 1067798032 /nfs/dbraw/zinc/79/80/32/1067798032.db2.gz LDKSDIZTYLLNBN-GOTSBHOMSA-N 1 0 496.700 4.403 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001352939503 1067811460 /nfs/dbraw/zinc/81/14/60/1067811460.db2.gz BVNPEVIYDFMCOU-NRFANRHFSA-N 1 0 451.489 4.194 20 0 JIADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001357184772 1067815429 /nfs/dbraw/zinc/81/54/29/1067815429.db2.gz DFEFUGRAPMWLKO-UHFFFAOYSA-N 1 0 455.864 4.007 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001300163450 1067820177 /nfs/dbraw/zinc/82/01/77/1067820177.db2.gz AFPJRLFAQKZSOJ-GOSISDBHSA-N 1 0 453.587 4.232 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300164460 1067821819 /nfs/dbraw/zinc/82/18/19/1067821819.db2.gz PEVVEHPZISYUPL-FQEVSTJZSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(C)CC2)cc1O ZINC001300165251 1067823176 /nfs/dbraw/zinc/82/31/76/1067823176.db2.gz AWJIGOUNESJCBR-UHFFFAOYSA-N 1 0 464.614 4.121 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1coc(C2CCOCC2)n1)c1cccc(Br)c1 ZINC001357247943 1067824368 /nfs/dbraw/zinc/82/43/68/1067824368.db2.gz IGASFQHLWRICQG-UHFFFAOYSA-N 1 0 450.377 4.320 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOC[C@H]1CCCO1 ZINC001492585518 1067828596 /nfs/dbraw/zinc/82/85/96/1067828596.db2.gz HUSFJBQLUXCCMW-XMMPIXPASA-N 1 0 469.674 4.074 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC(=O)NC1CCCCC1 ZINC001492585538 1067828688 /nfs/dbraw/zinc/82/86/88/1067828688.db2.gz IOUIBDNFPDQDLK-UHFFFAOYSA-N 1 0 480.701 4.327 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001492585609 1067829330 /nfs/dbraw/zinc/82/93/30/1067829330.db2.gz KHFALSBOXAUVGH-OAQYLSRUSA-N 1 0 492.634 4.372 20 0 JIADRO COCCOc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)nc2ccccc21 ZINC001357284026 1067830339 /nfs/dbraw/zinc/83/03/39/1067830339.db2.gz GJAHBSAJDVSTBN-UHFFFAOYSA-N 1 0 451.592 4.370 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCC2)c(OC)c1 ZINC001300176632 1067837299 /nfs/dbraw/zinc/83/72/99/1067837299.db2.gz ALXHDKVIZHVEPP-UHFFFAOYSA-N 1 0 455.628 4.070 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC001300178121 1067839044 /nfs/dbraw/zinc/83/90/44/1067839044.db2.gz ZPNBRMDEOZTGRD-HFJWLAOPSA-N 1 0 498.697 4.495 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1F ZINC001300178835 1067839988 /nfs/dbraw/zinc/83/99/88/1067839988.db2.gz GUZFXXWBHGRKOE-PZJWPPBQSA-N 1 0 459.591 4.278 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001300180393 1067843434 /nfs/dbraw/zinc/84/34/34/1067843434.db2.gz NRDQUMWTAKEZNM-SFTDATJTSA-N 1 0 493.700 4.461 20 0 JIADRO Cc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc(Cl)c1Br ZINC001357425532 1067848580 /nfs/dbraw/zinc/84/85/80/1067848580.db2.gz FCDZWPNHADNPJL-UHFFFAOYSA-N 1 0 452.736 4.133 20 0 JIADRO C[N@H+](CCN(Cc1ccccc1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)Cc1ccccc1 ZINC001473277235 1067852008 /nfs/dbraw/zinc/85/20/08/1067852008.db2.gz HVZGZZXXQXXTOI-RUZDIDTESA-N 1 0 453.627 4.257 20 0 JIADRO COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001300192182 1067857193 /nfs/dbraw/zinc/85/71/93/1067857193.db2.gz TVSCHAQNUCBPSH-UHFFFAOYSA-N 1 0 487.446 4.024 20 0 JIADRO CO[C@@H]1CCN(C(=S)Nc2c(C)cc(Br)cc2C)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001200222049 1067864488 /nfs/dbraw/zinc/86/44/88/1067864488.db2.gz OOHBZIJVWLZSCX-PWRODBHTSA-N 1 0 489.483 4.379 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001200222651 1067866056 /nfs/dbraw/zinc/86/60/56/1067866056.db2.gz VQMHSOGSNDCYIT-WOJBJXKFSA-N 1 0 493.515 4.170 20 0 JIADRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=S)Nc3c(C)cc(Br)cc3C)CC2)C1 ZINC001200227182 1067871275 /nfs/dbraw/zinc/87/12/75/1067871275.db2.gz FLKZRYOZCWKYBO-MRXNPFEDSA-N 1 0 468.461 4.112 20 0 JIADRO C[C@H](NC(=O)c1cc(F)cc(Br)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578826 1067873595 /nfs/dbraw/zinc/87/35/95/1067873595.db2.gz MYQCQKAQSAFATJ-LBPRGKRZSA-N 1 0 456.306 4.109 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001357632182 1067879800 /nfs/dbraw/zinc/87/98/00/1067879800.db2.gz UQFKTKFZNSQPCI-LARUCZGFSA-N 1 0 457.618 4.475 20 0 JIADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001357634380 1067880103 /nfs/dbraw/zinc/88/01/03/1067880103.db2.gz TXCYBRQJPKORQC-NRFANRHFSA-N 1 0 459.587 4.054 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(F)(F)n3cc(-c4ccccc4)nn3)ccc21 ZINC001357638750 1067881157 /nfs/dbraw/zinc/88/11/57/1067881157.db2.gz UCWPCPIGFWTYQT-UHFFFAOYSA-N 1 0 452.509 4.430 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3oc4ccccc4c3Br)cc2)C1 ZINC001357644870 1067881750 /nfs/dbraw/zinc/88/17/50/1067881750.db2.gz LQYCZYBGBYWDHU-OAHLLOKOSA-N 1 0 456.340 4.145 20 0 JIADRO COc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001300216472 1067886936 /nfs/dbraw/zinc/88/69/36/1067886936.db2.gz KAMQVPMYWUBHRG-UHFFFAOYSA-N 1 0 462.642 4.187 20 0 JIADRO COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001300218040 1067889166 /nfs/dbraw/zinc/88/91/66/1067889166.db2.gz NCUUGKVQKPTQJI-UHFFFAOYSA-N 1 0 466.605 4.017 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C[C@@H]21 ZINC001473302606 1067889220 /nfs/dbraw/zinc/88/92/20/1067889220.db2.gz SXWZDUXRHKIDAH-WTLGNFPFSA-N 1 0 457.384 4.247 20 0 JIADRO COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CC(C)C)CC2)c(C(F)(F)F)c1 ZINC001300218189 1067889448 /nfs/dbraw/zinc/88/94/48/1067889448.db2.gz PNVNPKVARSSTOV-UHFFFAOYSA-N 1 0 488.558 4.118 20 0 JIADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC001200267536 1067905330 /nfs/dbraw/zinc/90/53/30/1067905330.db2.gz HMEDPPGGKYNRTP-UHFFFAOYSA-N 1 0 457.821 4.293 20 0 JIADRO COc1ccc(COCCCn2c(C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001300232345 1067919027 /nfs/dbraw/zinc/91/90/27/1067919027.db2.gz SVZWLTAISNPFGS-UHFFFAOYSA-N 1 0 455.647 4.294 20 0 JIADRO C[N@H+](CCc1cccc(NC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)c1)C1CC1 ZINC001357871974 1067926277 /nfs/dbraw/zinc/92/62/77/1067926277.db2.gz QWOPAXFRHFTADB-UHFFFAOYSA-N 1 0 457.361 4.428 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300237136 1067932016 /nfs/dbraw/zinc/93/20/16/1067932016.db2.gz GEMHHILHIQRMFE-OALUTQOASA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300237954 1067936872 /nfs/dbraw/zinc/93/68/72/1067936872.db2.gz VDAVPGLBOZFQAL-WIYYLYMNSA-N 1 0 464.054 4.447 20 0 JIADRO CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(CN3CCOCC3)c2)CC[C@@H]2CCCC[C@@H]21 ZINC001357927918 1067945271 /nfs/dbraw/zinc/94/52/71/1067945271.db2.gz JXNDKBYSFGDASU-PMVMPFDFSA-N 1 0 457.615 4.416 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cn(C)nc2-c2cc(F)ccc2F)ccc1OC ZINC001357930721 1067946942 /nfs/dbraw/zinc/94/69/42/1067946942.db2.gz OOJZSTKEWWZCIC-UHFFFAOYSA-N 1 0 458.509 4.347 20 0 JIADRO Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC001358033962 1067996304 /nfs/dbraw/zinc/99/63/04/1067996304.db2.gz DEPQDPDBSQXWAM-MHECFPHRSA-N 1 0 457.981 4.189 20 0 JIADRO Cc1sc(Br)nc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001358050097 1068003701 /nfs/dbraw/zinc/00/37/01/1068003701.db2.gz IGAHEMQZXCNMSI-UHFFFAOYSA-N 1 0 451.390 4.281 20 0 JIADRO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358063499 1068006312 /nfs/dbraw/zinc/00/63/12/1068006312.db2.gz WYRLEBAAAGGTOH-KBWCOIMZSA-N 1 0 452.565 4.201 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)CC1 ZINC001358076854 1068012091 /nfs/dbraw/zinc/01/20/91/1068012091.db2.gz FVFHSGJDMTVQJS-VQTJNVASSA-N 1 0 453.606 4.090 20 0 JIADRO CN(c1ccc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1)C1CC[NH+](C)CC1 ZINC001358115308 1068022209 /nfs/dbraw/zinc/02/22/09/1068022209.db2.gz CJIIXPWKHOWSFL-UHFFFAOYSA-N 1 0 452.599 4.494 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001300260768 1068023848 /nfs/dbraw/zinc/02/38/48/1068023848.db2.gz JSMRAUCFPDNKAQ-IBGZPJMESA-N 1 0 485.654 4.235 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC001300261147 1068024946 /nfs/dbraw/zinc/02/49/46/1068024946.db2.gz ODKRRJOBHBNKLF-FQEVSTJZSA-N 1 0 455.647 4.407 20 0 JIADRO Cc1cc([C@@H](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001353320899 1068025340 /nfs/dbraw/zinc/02/53/40/1068025340.db2.gz PQEYWCMKAMBPHG-QZTJIDSGSA-N 1 0 455.043 4.482 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2c(F)ccc(Br)c2C)cc1 ZINC001353325231 1068028055 /nfs/dbraw/zinc/02/80/55/1068028055.db2.gz IVANERYTSOTDNN-UHFFFAOYSA-N 1 0 451.336 4.187 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC001358144027 1068030043 /nfs/dbraw/zinc/03/00/43/1068030043.db2.gz GDFWUSWDJBRFAC-PMACEKPBSA-N 1 0 457.640 4.447 20 0 JIADRO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCN1CC(F)(F)F ZINC001358205761 1068043153 /nfs/dbraw/zinc/04/31/53/1068043153.db2.gz FECYCWXBKOCDKT-DFQSSKMNSA-N 1 0 451.558 4.059 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300269487 1068045640 /nfs/dbraw/zinc/04/56/40/1068045640.db2.gz NMRCDSMZCPLZLC-QFIPXVFZSA-N 1 0 498.716 4.012 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1 ZINC001300279502 1068068022 /nfs/dbraw/zinc/06/80/22/1068068022.db2.gz BNLGODRPSPGCON-RLWLMLJZSA-N 1 0 485.673 4.284 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300280722 1068072162 /nfs/dbraw/zinc/07/21/62/1068072162.db2.gz IDGMMHQHGCTMHO-MBSDFSHPSA-N 1 0 463.573 4.222 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001492565158 1068075413 /nfs/dbraw/zinc/07/54/13/1068075413.db2.gz AIIIGKMETHXCMU-UNMCSNQZSA-N 1 0 495.590 4.158 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300284698 1068081762 /nfs/dbraw/zinc/08/17/62/1068081762.db2.gz LFJKTPDUTIWQSF-AWRGLXIESA-N 1 0 485.673 4.378 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@H]2CCCCO2)cc1 ZINC001300290657 1068094630 /nfs/dbraw/zinc/09/46/30/1068094630.db2.gz KOFPPYJGWDDRSV-JOCHJYFZSA-N 1 0 471.646 4.136 20 0 JIADRO Cc1ccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1NC(=O)CC[NH+](C)C ZINC001358450305 1068094702 /nfs/dbraw/zinc/09/47/02/1068094702.db2.gz LCUPVGSFCCBGCY-HFZDXXHNSA-N 1 0 472.630 4.394 20 0 JIADRO Cc1ccc(NC(=S)N2CCC[C@H]([NH+]3CC(CNC(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001200336243 1068117690 /nfs/dbraw/zinc/11/76/90/1068117690.db2.gz POSKGXKYKLFNHN-KRWDZBQOSA-N 1 0 453.052 4.266 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000510606635 1068174836 /nfs/dbraw/zinc/17/48/36/1068174836.db2.gz RNUMSGNESRDJAC-UHFFFAOYSA-N 1 0 464.401 4.424 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300311398 1068190406 /nfs/dbraw/zinc/19/04/06/1068190406.db2.gz DMIUWADVHKSGOC-UHFFFAOYSA-N 1 0 464.614 4.128 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC001300323458 1068245348 /nfs/dbraw/zinc/24/53/48/1068245348.db2.gz SKSICBIAGFBXMB-WOJBJXKFSA-N 1 0 469.674 4.326 20 0 JIADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514069518 1068251433 /nfs/dbraw/zinc/25/14/33/1068251433.db2.gz DNMOBRHPHOCJBW-MRXNPFEDSA-N 1 0 455.550 4.175 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1(C)C ZINC001473597967 1068265280 /nfs/dbraw/zinc/26/52/80/1068265280.db2.gz OZCHBZMCFLSCRP-KZNAEPCWSA-N 1 0 453.530 4.065 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001300329702 1068267317 /nfs/dbraw/zinc/26/73/17/1068267317.db2.gz GMCZQSDKDLUUGE-UHFFFAOYSA-N 1 0 496.700 4.057 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)OC(C)(C)C2)[NH+](C)C)c1 ZINC001300334090 1068297716 /nfs/dbraw/zinc/29/77/16/1068297716.db2.gz FBLLWTGGPVAYIA-LAUBAEHRSA-N 1 0 485.032 4.309 20 0 JIADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300334628 1068302285 /nfs/dbraw/zinc/30/22/85/1068302285.db2.gz HTWZVOCCBUZTIL-JZWVFAODSA-N 1 0 486.661 4.028 20 0 JIADRO C[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)Cc1ccccc1 ZINC001353538734 1068304074 /nfs/dbraw/zinc/30/40/74/1068304074.db2.gz QKADABCOSKLRAB-LFRSYBKYSA-N 1 0 454.014 4.373 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)CC2)c1 ZINC001300334937 1068304157 /nfs/dbraw/zinc/30/41/57/1068304157.db2.gz LAANQRPUTGNOSL-OAQYLSRUSA-N 1 0 468.690 4.243 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccsc2)[NH+](C)C)c1 ZINC001300335145 1068305893 /nfs/dbraw/zinc/30/58/93/1068305893.db2.gz MSPCGORCCHQMIB-QFIPXVFZSA-N 1 0 450.612 4.293 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccco2)[NH+](C)C)c1 ZINC001300335639 1068308423 /nfs/dbraw/zinc/30/84/23/1068308423.db2.gz UXHIWCCBHUOMQB-RXVVDRJESA-N 1 0 489.580 4.027 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)cc1 ZINC000518681864 1068309975 /nfs/dbraw/zinc/30/99/75/1068309975.db2.gz KGRRYBPPHOGXEQ-UHFFFAOYSA-N 1 0 469.586 4.310 20 0 JIADRO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001353545681 1068312372 /nfs/dbraw/zinc/31/23/72/1068312372.db2.gz ALAAYQZEGUVDEE-VQTJNVASSA-N 1 0 457.640 4.068 20 0 JIADRO C[N@H+](CCOc1cccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)c1)C1CCOCC1 ZINC000519450848 1068316856 /nfs/dbraw/zinc/31/68/56/1068316856.db2.gz KXVRHPHSDHSEQD-UHFFFAOYSA-N 1 0 499.612 4.079 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300338983 1068318622 /nfs/dbraw/zinc/31/86/22/1068318622.db2.gz FVUKSJLAKPJZQA-NZQKXSOJSA-N 1 0 498.716 4.266 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N(C)CC2CC(F)(F)C2)[NH+](C)C)c1 ZINC001300339354 1068318888 /nfs/dbraw/zinc/31/88/88/1068318888.db2.gz GPVQBTSETUDTSG-QFIPXVFZSA-N 1 0 470.568 4.057 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3cccnc3)nnc2N2CCCC[C@@H](SC)C2)[NH+](C)C)c1 ZINC001300339420 1068319425 /nfs/dbraw/zinc/31/94/25/1068319425.db2.gz HOCWKEDCPVUQHK-DNQXCXABSA-N 1 0 480.682 4.297 20 0 JIADRO COc1cccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300339761 1068319943 /nfs/dbraw/zinc/31/99/43/1068319943.db2.gz IVWSRDSVYNSJMZ-DXIQSLLYSA-N 1 0 496.681 4.063 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300340069 1068320994 /nfs/dbraw/zinc/32/09/94/1068320994.db2.gz KMKKHYAAWFDPLY-ILBGXUMGSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H]2CCSC2)[NH+](C)C)c1 ZINC001300340737 1068324743 /nfs/dbraw/zinc/32/47/43/1068324743.db2.gz OHBXHQJCNDDDLA-JMJGKCIBSA-N 1 0 487.714 4.450 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 ZINC000520855404 1068328326 /nfs/dbraw/zinc/32/83/26/1068328326.db2.gz LUGSQJKRSXDOIR-UHFFFAOYSA-N 1 0 451.596 4.186 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC([C@H]4CCOC4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300341497 1068328510 /nfs/dbraw/zinc/32/85/10/1068328510.db2.gz RSTABMABUNPHTP-JTHBVZDNSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccsc2)[NH+](C)C)c1 ZINC001300341830 1068329304 /nfs/dbraw/zinc/32/93/04/1068329304.db2.gz SVNDWCAPDZUOEP-HSZRJFAPSA-N 1 0 479.654 4.149 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCCN(C(=O)C(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001300342966 1068333476 /nfs/dbraw/zinc/33/34/76/1068333476.db2.gz YLMVFNPQLMVAGC-XMMPIXPASA-N 1 0 496.700 4.116 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)n1 ZINC000522270128 1068338656 /nfs/dbraw/zinc/33/86/56/1068338656.db2.gz DJMZBQPNKVCROW-UHFFFAOYSA-N 1 0 489.601 4.165 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccccc2-n2cc(Br)cn2)cc1 ZINC001353576440 1068339431 /nfs/dbraw/zinc/33/94/31/1068339431.db2.gz ZTCAFDVHGLECEM-UHFFFAOYSA-N 1 0 457.372 4.147 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 ZINC000622340124 1068360806 /nfs/dbraw/zinc/36/08/06/1068360806.db2.gz OJQKJFWXYXTADG-IBGZPJMESA-N 1 0 476.600 4.169 20 0 JIADRO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001474154551 1068364368 /nfs/dbraw/zinc/36/43/68/1068364368.db2.gz HSMJAQAFINQLRV-NUTRWHQKSA-N 1 0 456.652 4.455 20 0 JIADRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001353608412 1068368509 /nfs/dbraw/zinc/36/85/09/1068368509.db2.gz CVPFQWFDCQEIFE-XZOQPEGZSA-N 1 0 474.630 4.116 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300359526 1068382560 /nfs/dbraw/zinc/38/25/60/1068382560.db2.gz BOLLEHPDULJYKG-FPOVZHCZSA-N 1 0 455.628 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001300359830 1068383865 /nfs/dbraw/zinc/38/38/65/1068383865.db2.gz HKKKELDXDGAVFO-REWPJTCUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001300369454 1068416572 /nfs/dbraw/zinc/41/65/72/1068416572.db2.gz DUHBEUMJIKTHND-QZTJIDSGSA-N 1 0 463.573 4.077 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300370123 1068419331 /nfs/dbraw/zinc/41/93/31/1068419331.db2.gz UMUQXJXVOYRXTI-OFNKIYASSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)c1 ZINC001300375568 1068444500 /nfs/dbraw/zinc/44/45/00/1068444500.db2.gz DXIOUCTVCQBYSJ-OAQYLSRUSA-N 1 0 498.672 4.133 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001300377806 1068457609 /nfs/dbraw/zinc/45/76/09/1068457609.db2.gz LXUCIKZDTRQMTD-RTWAWAEBSA-N 1 0 498.672 4.179 20 0 JIADRO CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)Oc2ccccc21 ZINC001200421574 1068475262 /nfs/dbraw/zinc/47/52/62/1068475262.db2.gz LQUWMXDUCIPPLL-JOCHJYFZSA-N 1 0 486.726 4.006 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2nc(C)c(C)s2)c1 ZINC001300385957 1068486203 /nfs/dbraw/zinc/48/62/03/1068486203.db2.gz WJWGQWVRFQWDHF-UHFFFAOYSA-N 1 0 454.644 4.386 20 0 JIADRO CC(C)(C)OC(=O)N1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)c2ccccc21 ZINC001200423772 1068488300 /nfs/dbraw/zinc/48/83/00/1068488300.db2.gz SDZDIIAYTQYLCV-UHFFFAOYSA-N 1 0 458.672 4.136 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(Cc4cccs4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300389429 1068500456 /nfs/dbraw/zinc/50/04/56/1068500456.db2.gz NUCLPIMXHCVWRA-UHFFFAOYSA-N 1 0 482.698 4.456 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@@H]2CC[C@@H](C)C2)c1 ZINC001300389515 1068501126 /nfs/dbraw/zinc/50/11/26/1068501126.db2.gz PLLHVOUNYQXILZ-WOJBJXKFSA-N 1 0 495.590 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300390550 1068506403 /nfs/dbraw/zinc/50/64/03/1068506403.db2.gz ZKDPNFXLPJRHEQ-KNQAVFIVSA-N 1 0 494.606 4.147 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](CN(C(=S)NCC[NH+]2CCCCC2)C2CCCC2)C1 ZINC001200428927 1068508723 /nfs/dbraw/zinc/50/87/23/1068508723.db2.gz UIGCLEUTARCQJA-HXUWFJFHSA-N 1 0 452.709 4.239 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(NC(=S)NCC[NH+]3CCCCC3)c2)C1 ZINC001200432898 1068525747 /nfs/dbraw/zinc/52/57/47/1068525747.db2.gz GDIIPBBBWWXENS-NRFANRHFSA-N 1 0 462.660 4.237 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2cccc(F)c2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200432792 1068526287 /nfs/dbraw/zinc/52/62/87/1068526287.db2.gz FIIWSLMTBOHNRU-UHFFFAOYSA-N 1 0 479.666 4.092 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300397708 1068539608 /nfs/dbraw/zinc/53/96/08/1068539608.db2.gz KIMMXSCUQPSIPS-UNMCSNQZSA-N 1 0 498.672 4.178 20 0 JIADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1SCC(F)F ZINC001200435745 1068540171 /nfs/dbraw/zinc/54/01/71/1068540171.db2.gz FSXVXPSZDGLGEA-MRXNPFEDSA-N 1 0 455.958 4.238 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](NC(=S)NCC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC001200443142 1068564470 /nfs/dbraw/zinc/56/44/70/1068564470.db2.gz SPBYSHODENEXRX-JOCHJYFZSA-N 1 0 472.699 4.350 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406172 1068569860 /nfs/dbraw/zinc/56/98/60/1068569860.db2.gz AVPWKDKIEZLVMK-FYYLOGMGSA-N 1 0 457.663 4.430 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CCO2)c1 ZINC001300406693 1068573158 /nfs/dbraw/zinc/57/31/58/1068573158.db2.gz IICRPVZBYJRYHO-OFNKIYASSA-N 1 0 455.647 4.284 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2sc(C)cc2Br)cc1 ZINC001353789968 1068587468 /nfs/dbraw/zinc/58/74/68/1068587468.db2.gz QANDCDSDFUQVSM-UHFFFAOYSA-N 1 0 452.418 4.072 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CCO2)c1 ZINC001300410886 1068590362 /nfs/dbraw/zinc/59/03/62/1068590362.db2.gz VPZYYHZZVXNTFV-UNMCSNQZSA-N 1 0 453.587 4.058 20 0 JIADRO CN(C)C(=O)c1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001353818265 1068619628 /nfs/dbraw/zinc/61/96/28/1068619628.db2.gz QILWTCYZSWOUBC-GGXMVOPNSA-N 1 0 455.602 4.095 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC001300433233 1068684628 /nfs/dbraw/zinc/68/46/28/1068684628.db2.gz FSVISHFCCHANGP-GOSISDBHSA-N 1 0 456.011 4.060 20 0 JIADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]([N@H+](C)CCc4ccccc4)C3)c2c1C ZINC001300433652 1068687693 /nfs/dbraw/zinc/68/76/93/1068687693.db2.gz OITPTQYCGJMIEU-HXUWFJFHSA-N 1 0 454.665 4.484 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001300434074 1068689605 /nfs/dbraw/zinc/68/96/05/1068689605.db2.gz INNMFMONIPOVOG-IBGZPJMESA-N 1 0 458.628 4.198 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C2)c1 ZINC001300436966 1068699763 /nfs/dbraw/zinc/69/97/63/1068699763.db2.gz ZIFFMTZFCHEAAH-QFIPXVFZSA-N 1 0 455.647 4.155 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437360 1068701085 /nfs/dbraw/zinc/70/10/85/1068701085.db2.gz OGTTUCKSCBXQGS-AWRGLXIESA-N 1 0 499.700 4.268 20 0 JIADRO COc1cccc(Cl)c1Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300439110 1068707816 /nfs/dbraw/zinc/70/78/16/1068707816.db2.gz JUGNJMRDTGSKKS-UHFFFAOYSA-N 1 0 469.033 4.285 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c1 ZINC001353886192 1068721599 /nfs/dbraw/zinc/72/15/99/1068721599.db2.gz VOKGINQDUSBCIW-MRXNPFEDSA-N 1 0 451.489 4.183 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001300452342 1068761379 /nfs/dbraw/zinc/76/13/79/1068761379.db2.gz VJWZOJMVDLNMII-LJQANCHMSA-N 1 0 469.655 4.327 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC001300454564 1068769045 /nfs/dbraw/zinc/76/90/45/1068769045.db2.gz IHPVMMHGGBFIJL-FYYLOGMGSA-N 1 0 480.657 4.055 20 0 JIADRO COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC001300454565 1068769156 /nfs/dbraw/zinc/76/91/56/1068769156.db2.gz IHPVMMHGGBFIJL-GGAORHGYSA-N 1 0 480.657 4.055 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C)[NH+]1CCCC1 ZINC001300455761 1068773236 /nfs/dbraw/zinc/77/32/36/1068773236.db2.gz POGMCXRQVGCJRN-OAQYLSRUSA-N 1 0 491.640 4.253 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001492565734 1068797632 /nfs/dbraw/zinc/79/76/32/1068797632.db2.gz IAWNWJVQHRHMLX-JOCHJYFZSA-N 1 0 466.674 4.261 20 0 JIADRO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)c1OC ZINC001200511782 1068800209 /nfs/dbraw/zinc/80/02/09/1068800209.db2.gz JFVPSKMHAXJWSE-JBACZVJFSA-N 1 0 459.681 4.372 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300470832 1068811596 /nfs/dbraw/zinc/81/15/96/1068811596.db2.gz OSZLXBLVSWIHGY-GMAHTHKFSA-N 1 0 453.631 4.103 20 0 JIADRO C[C@H]1CCCN(C(=O)CCNC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001353977141 1068812463 /nfs/dbraw/zinc/81/24/63/1068812463.db2.gz VQIDGJCVWZKOOT-QFIPXVFZSA-N 1 0 462.638 4.397 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300471344 1068812930 /nfs/dbraw/zinc/81/29/30/1068812930.db2.gz XNSUCZFGNMXWSD-OAQYLSRUSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(CNC(=S)NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1OC ZINC001200527064 1068824843 /nfs/dbraw/zinc/82/48/43/1068824843.db2.gz ZXJWWRUCXIFQAB-UHFFFAOYSA-N 1 0 461.631 4.389 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492567131 1068831347 /nfs/dbraw/zinc/83/13/47/1068831347.db2.gz ZRZOWUMABSHVGX-NHCUHLMSSA-N 1 0 468.646 4.231 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001300483698 1068839831 /nfs/dbraw/zinc/83/98/31/1068839831.db2.gz RUNRRQZSSQCDJC-HSZRJFAPSA-N 1 0 495.590 4.358 20 0 JIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 ZINC001474575876 1068860268 /nfs/dbraw/zinc/86/02/68/1068860268.db2.gz FIZHBUFEJMKORA-LKUPVBHCSA-N 1 0 465.516 4.041 20 0 JIADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001200543810 1068862306 /nfs/dbraw/zinc/86/23/06/1068862306.db2.gz WEBKCISBIAZXRB-HSZRJFAPSA-N 1 0 454.640 4.184 20 0 JIADRO COc1ccccc1C[NH+]1CCC(NC(=S)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC001200545215 1068864949 /nfs/dbraw/zinc/86/49/49/1068864949.db2.gz DTGGPFCFOFCIAL-UHFFFAOYSA-N 1 0 450.004 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300498468 1068866880 /nfs/dbraw/zinc/86/68/80/1068866880.db2.gz NWUJDUFBEMFWPE-XZOQPEGZSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001300507217 1068881513 /nfs/dbraw/zinc/88/15/13/1068881513.db2.gz JQZLKSGGOAQMJV-IRLDBZIGSA-N 1 0 498.672 4.130 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001300510145 1068886249 /nfs/dbraw/zinc/88/62/49/1068886249.db2.gz IAAQBBWAYCOWMS-UHFFFAOYSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001300517774 1068903474 /nfs/dbraw/zinc/90/34/74/1068903474.db2.gz NHCHXEXAIHJBJW-HSZRJFAPSA-N 1 0 455.647 4.471 20 0 JIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC001354116809 1068907162 /nfs/dbraw/zinc/90/71/62/1068907162.db2.gz IZJVEKNQIGBVQH-HRAATJIYSA-N 1 0 458.400 4.185 20 0 JIADRO COc1cc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)ccc1F ZINC001200568487 1068909891 /nfs/dbraw/zinc/90/98/91/1068909891.db2.gz AZMPOIXCINVWQE-JOCHJYFZSA-N 1 0 478.973 4.454 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300523123 1068919521 /nfs/dbraw/zinc/91/95/21/1068919521.db2.gz DYESESSLLUJRJA-GMAHTHKFSA-N 1 0 469.674 4.454 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001354146624 1068930669 /nfs/dbraw/zinc/93/06/69/1068930669.db2.gz CWOIKLNXUKVUCC-SFHVURJKSA-N 1 0 455.400 4.320 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300531813 1068945977 /nfs/dbraw/zinc/94/59/77/1068945977.db2.gz MEASXKAVIVSBIR-ANYOXOOPSA-N 1 0 496.700 4.026 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC2CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300532881 1068948231 /nfs/dbraw/zinc/94/82/31/1068948231.db2.gz SEZAFJNLINXECU-LJQANCHMSA-N 1 0 457.688 4.134 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300536488 1068957025 /nfs/dbraw/zinc/95/70/25/1068957025.db2.gz PHRWSDOEZPVCHT-OALUTQOASA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300536797 1068958276 /nfs/dbraw/zinc/95/82/76/1068958276.db2.gz UZLGQVSMNPCFGV-NRFANRHFSA-N 1 0 462.623 4.273 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCC(F)F)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300542468 1068976530 /nfs/dbraw/zinc/97/65/30/1068976530.db2.gz WXUZSJLNLUQMKY-UHFFFAOYSA-N 1 0 470.568 4.281 20 0 JIADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C2)c1 ZINC001354209788 1068980053 /nfs/dbraw/zinc/98/00/53/1068980053.db2.gz KTOVXJKKQSKCIJ-HFMPRLQTSA-N 1 0 453.652 4.416 20 0 JIADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(Br)c1OC ZINC001354209739 1068980215 /nfs/dbraw/zinc/98/02/15/1068980215.db2.gz KLAYEPVSAVQCKA-ACJLOTCBSA-N 1 0 453.402 4.341 20 0 JIADRO Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001354210787 1068981138 /nfs/dbraw/zinc/98/11/38/1068981138.db2.gz UPVLRMIFENUZCX-KBXCAEBGSA-N 1 0 454.377 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300549040 1068993985 /nfs/dbraw/zinc/99/39/85/1068993985.db2.gz QOYZGZHMXJKGPO-HKBOAZHASA-N 1 0 457.688 4.328 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[NH+]1CCCCCC1 ZINC001492586308 1069001864 /nfs/dbraw/zinc/00/18/64/1069001864.db2.gz CPMOEXCNXNGLNE-NRFANRHFSA-N 1 0 478.607 4.126 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492586438 1069003099 /nfs/dbraw/zinc/00/30/99/1069003099.db2.gz HPFDXAYFVODOHT-JOCHJYFZSA-N 1 0 496.700 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001300556398 1069012332 /nfs/dbraw/zinc/01/23/32/1069012332.db2.gz OKJQWHUEDSHISQ-IBGZPJMESA-N 1 0 481.563 4.116 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001492587012 1069018394 /nfs/dbraw/zinc/01/83/94/1069018394.db2.gz BAZRJWWXCFAEMY-HHHXNRCGSA-N 1 0 465.642 4.236 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001492586996 1069018468 /nfs/dbraw/zinc/01/84/68/1069018468.db2.gz ATSQDNKGVKKPGL-IFMALSPDSA-N 1 0 497.581 4.407 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCCC[NH+]1CCCC1 ZINC001300558223 1069020390 /nfs/dbraw/zinc/02/03/90/1069020390.db2.gz XGZSDVGYTMJOHK-UHFFFAOYSA-N 1 0 495.590 4.037 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300558199 1069020443 /nfs/dbraw/zinc/02/04/43/1069020443.db2.gz WKJDIKBREAVMBE-SZPZYZBQSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@H](C)OC ZINC001300560778 1069029120 /nfs/dbraw/zinc/02/91/20/1069029120.db2.gz BRSNADIFOIEZRS-YPAWHYETSA-N 1 0 455.647 4.003 20 0 JIADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482766 1069051895 /nfs/dbraw/zinc/05/18/95/1069051895.db2.gz SISZWNMICBCCGY-VQTJNVASSA-N 1 0 494.467 4.418 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849487148 1069052779 /nfs/dbraw/zinc/05/27/79/1069052779.db2.gz COKIXHFECLVPKT-HOTGVXAUSA-N 1 0 462.417 4.245 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849485677 1069052964 /nfs/dbraw/zinc/05/29/64/1069052964.db2.gz YBLXYGTYDYWXAD-ROUUACIJSA-N 1 0 499.965 4.003 20 0 JIADRO COc1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486651 1069053759 /nfs/dbraw/zinc/05/37/59/1069053759.db2.gz LLNACJMSEUYEJV-DQEYMECFSA-N 1 0 476.621 4.138 20 0 JIADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849487690 1069054663 /nfs/dbraw/zinc/05/46/63/1069054663.db2.gz MFKGWURRQMVLSE-ZWKOTPCHSA-N 1 0 480.440 4.028 20 0 JIADRO CC(=O)c1sc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489874 1069057445 /nfs/dbraw/zinc/05/74/45/1069057445.db2.gz SYPNQPATTWENDN-UXHICEINSA-N 1 0 451.596 4.199 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001300567288 1069060395 /nfs/dbraw/zinc/06/03/95/1069060395.db2.gz KWAALORWSVUSQW-IBGZPJMESA-N 1 0 466.630 4.207 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)[C@@H](c2cnn(C)c2)C1 ZINC000849492599 1069062651 /nfs/dbraw/zinc/06/26/51/1069062651.db2.gz SFFFXANDUANYRT-JCTONOIOSA-N 1 0 492.664 4.420 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495475 1069066975 /nfs/dbraw/zinc/06/69/75/1069066975.db2.gz CRNDODJRWBHGMM-VJBMBRPKSA-N 1 0 456.631 4.155 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497810 1069069391 /nfs/dbraw/zinc/06/93/91/1069069391.db2.gz QPHIRRXFLFYLEB-RTWAWAEBSA-N 1 0 477.422 4.327 20 0 JIADRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502285 1069074087 /nfs/dbraw/zinc/07/40/87/1069074087.db2.gz ZPQABPQRQFELMZ-DHIUTWEWSA-N 1 0 475.641 4.166 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502430 1069074752 /nfs/dbraw/zinc/07/47/52/1069074752.db2.gz CAYFEEXJBPAEQY-OALUTQOASA-N 1 0 488.455 4.212 20 0 JIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849502137 1069075652 /nfs/dbraw/zinc/07/56/52/1069075652.db2.gz PCHMYRKQIAZVQY-DNQXCXABSA-N 1 0 459.594 4.433 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)[NH+]1CCCC1 ZINC000504151510 1069075667 /nfs/dbraw/zinc/07/56/67/1069075667.db2.gz HXICGGQTCCNAMC-IBGZPJMESA-N 1 0 455.559 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849502242 1069075726 /nfs/dbraw/zinc/07/57/26/1069075726.db2.gz ZKMWKBSYRKGVFA-HOTGVXAUSA-N 1 0 458.456 4.076 20 0 JIADRO COc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502771 1069076563 /nfs/dbraw/zinc/07/65/63/1069076563.db2.gz SHDGIVIOUCSEIE-VQTJNVASSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849503361 1069077624 /nfs/dbraw/zinc/07/76/24/1069077624.db2.gz IEVJSEDJEWLGRM-IZZNHLLZSA-N 1 0 476.669 4.496 20 0 JIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849502669 1069078649 /nfs/dbraw/zinc/07/86/49/1069078649.db2.gz DMVJAVOSKPEYOK-PZJWPPBQSA-N 1 0 474.049 4.445 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849502693 1069079470 /nfs/dbraw/zinc/07/94/70/1069079470.db2.gz DRGGTHIZFGZWNR-PKTZIBPZSA-N 1 0 477.609 4.136 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503804 1069082398 /nfs/dbraw/zinc/08/23/98/1069082398.db2.gz LGUNPPYKTWRHNG-ICSRJNTNSA-N 1 0 499.974 4.148 20 0 JIADRO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849504890 1069083656 /nfs/dbraw/zinc/08/36/56/1069083656.db2.gz GEZKOODYCWDACR-DHIUTWEWSA-N 1 0 459.594 4.433 20 0 JIADRO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505031 1069085285 /nfs/dbraw/zinc/08/52/85/1069085285.db2.gz RDDAHGCVQMFKEA-BJKOFHAPSA-N 1 0 465.642 4.244 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849505313 1069085304 /nfs/dbraw/zinc/08/53/04/1069085304.db2.gz HCPBZELIPIFNCZ-RTBURBONSA-N 1 0 484.442 4.063 20 0 JIADRO CCCOc1c(Br)cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC ZINC001200623121 1069085294 /nfs/dbraw/zinc/08/52/94/1069085294.db2.gz VVMIIXOOAIIHGR-KRWDZBQOSA-N 1 0 455.437 4.227 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849505311 1069085418 /nfs/dbraw/zinc/08/54/18/1069085418.db2.gz HCPBZELIPIFNCZ-OALUTQOASA-N 1 0 484.442 4.063 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)[C@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505898 1069086321 /nfs/dbraw/zinc/08/63/21/1069086321.db2.gz KEWJXFUNBDVHIE-DHLKQENFSA-N 1 0 463.626 4.130 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849507159 1069087173 /nfs/dbraw/zinc/08/71/73/1069087173.db2.gz PECHBAZTSLYTCE-IRXDYDNUSA-N 1 0 453.812 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507911 1069089996 /nfs/dbraw/zinc/08/99/96/1069089996.db2.gz RSAMHBCGZQCDED-DNQXCXABSA-N 1 0 452.549 4.418 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001492575111 1069092087 /nfs/dbraw/zinc/09/20/87/1069092087.db2.gz HZPAXMACYYJLIL-JOCHJYFZSA-N 1 0 496.700 4.497 20 0 JIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509628 1069092795 /nfs/dbraw/zinc/09/27/95/1069092795.db2.gz YIDOAKQNGIFOMO-YADHBBJMSA-N 1 0 461.448 4.434 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492575112 1069092612 /nfs/dbraw/zinc/09/26/12/1069092612.db2.gz HZPAXMACYYJLIL-QFIPXVFZSA-N 1 0 496.700 4.497 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510563 1069095382 /nfs/dbraw/zinc/09/53/82/1069095382.db2.gz RWTQRHJGLPUERD-RTWAWAEBSA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849510835 1069095622 /nfs/dbraw/zinc/09/56/22/1069095622.db2.gz VEXNSRQRQUMUQB-VJBWXMMDSA-N 1 0 473.459 4.230 20 0 JIADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849512472 1069096046 /nfs/dbraw/zinc/09/60/46/1069096046.db2.gz FVYDPECMFFQANQ-QZTJIDSGSA-N 1 0 470.599 4.051 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001354309615 1069096157 /nfs/dbraw/zinc/09/61/57/1069096157.db2.gz VQDQXAVZTHULTG-UHFFFAOYSA-N 1 0 450.583 4.332 20 0 JIADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849513379 1069097259 /nfs/dbraw/zinc/09/72/59/1069097259.db2.gz SAYPGGNZUZGSQQ-RPWUZVMVSA-N 1 0 467.589 4.121 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)c1 ZINC001354313413 1069099461 /nfs/dbraw/zinc/09/94/61/1069099461.db2.gz VPEYYXGNSNXGGU-UHFFFAOYSA-N 1 0 453.974 4.064 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514897 1069100113 /nfs/dbraw/zinc/10/01/13/1069100113.db2.gz JPFFKGMSTGSDLK-RTWAWAEBSA-N 1 0 461.448 4.091 20 0 JIADRO Cc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515681 1069102388 /nfs/dbraw/zinc/10/23/88/1069102388.db2.gz HGSNCGSOKFZNGU-RPBOFIJWSA-N 1 0 468.605 4.314 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300578412 1069105663 /nfs/dbraw/zinc/10/56/63/1069105663.db2.gz GTZDGZOAMCHVJS-XLIONFOSSA-N 1 0 457.669 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517968 1069105918 /nfs/dbraw/zinc/10/59/18/1069105918.db2.gz GEDVZKIDNVENAC-ZEQRLZLVSA-N 1 0 464.541 4.231 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518068 1069106046 /nfs/dbraw/zinc/10/60/46/1069106046.db2.gz NFTOOACCYVOWHQ-WOJBJXKFSA-N 1 0 462.063 4.079 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517759 1069107136 /nfs/dbraw/zinc/10/71/36/1069107136.db2.gz VANWFBBMHDHOHJ-VXKWHMMOSA-N 1 0 473.459 4.280 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520448 1069111223 /nfs/dbraw/zinc/11/12/23/1069111223.db2.gz ZLPOUAKZCIMPIE-RTBURBONSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519817 1069112008 /nfs/dbraw/zinc/11/20/08/1069112008.db2.gz UAZFQMWDERPAEC-RRPNLBNLSA-N 1 0 499.659 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519820 1069112885 /nfs/dbraw/zinc/11/28/85/1069112885.db2.gz UAZFQMWDERPAEC-SVBPBHIXSA-N 1 0 499.659 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520579 1069113487 /nfs/dbraw/zinc/11/34/87/1069113487.db2.gz ODZTWYNGGDXNQP-PKTZIBPZSA-N 1 0 456.594 4.094 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cn1 ZINC000849522328 1069114445 /nfs/dbraw/zinc/11/44/45/1069114445.db2.gz YDMZXWPKMKILTI-PKTZIBPZSA-N 1 0 456.594 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849521751 1069114773 /nfs/dbraw/zinc/11/47/73/1069114773.db2.gz GRIJUNUKMCMAOM-JWQCQUIFSA-N 1 0 460.578 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849521963 1069115252 /nfs/dbraw/zinc/11/52/52/1069115252.db2.gz IFPMAWSCANBABH-JWQCQUIFSA-N 1 0 472.593 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849524100 1069117494 /nfs/dbraw/zinc/11/74/94/1069117494.db2.gz YSCYGKVPIQAUBL-ZJBJCVSYSA-N 1 0 483.415 4.280 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849525096 1069118357 /nfs/dbraw/zinc/11/83/57/1069118357.db2.gz LQHPQSWSMNRWPM-OLMNPRSZSA-N 1 0 451.384 4.013 20 0 JIADRO COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849525034 1069119447 /nfs/dbraw/zinc/11/94/47/1069119447.db2.gz MFFJPLNEWVOPKP-BJKOFHAPSA-N 1 0 462.594 4.351 20 0 JIADRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC001300582241 1069120654 /nfs/dbraw/zinc/12/06/54/1069120654.db2.gz YWUUWVYPMDIEGN-ONTIZHBOSA-N 1 0 477.621 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526293 1069120846 /nfs/dbraw/zinc/12/08/46/1069120846.db2.gz RLEBDDKKLDCVQC-ZEQRLZLVSA-N 1 0 478.568 4.335 20 0 JIADRO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001354338040 1069121893 /nfs/dbraw/zinc/12/18/93/1069121893.db2.gz BHHMLSQHPADDEK-DENIHFKCSA-N 1 0 457.571 4.197 20 0 JIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849526930 1069124421 /nfs/dbraw/zinc/12/44/21/1069124421.db2.gz IOTZLFVVFULWJX-FCHUYYIVSA-N 1 0 477.012 4.454 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC23CCOCC3)cn1 ZINC000849533614 1069145519 /nfs/dbraw/zinc/14/55/19/1069145519.db2.gz FIVBDYCKCZFCFG-DEOSSOPVSA-N 1 0 450.583 4.341 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300598127 1069178295 /nfs/dbraw/zinc/17/82/95/1069178295.db2.gz GLVMCLUARWHZIU-JOCHJYFZSA-N 1 0 462.642 4.277 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300599281 1069182604 /nfs/dbraw/zinc/18/26/04/1069182604.db2.gz GUYPEZIAGVPDSF-FQRUVTKNSA-N 1 0 457.663 4.094 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548286 1069186311 /nfs/dbraw/zinc/18/63/11/1069186311.db2.gz MQJFQUMDFRQTSY-VXKWHMMOSA-N 1 0 474.590 4.405 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548512 1069187933 /nfs/dbraw/zinc/18/79/33/1069187933.db2.gz NZFZXEZUGDVFFT-RBUKOAKNSA-N 1 0 459.472 4.300 20 0 JIADRO CC1CC[NH+](CCCNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC1 ZINC001200658103 1069194673 /nfs/dbraw/zinc/19/46/73/1069194673.db2.gz SXYHBRYCIIRINT-UHFFFAOYSA-N 1 0 453.303 4.029 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553365 1069194736 /nfs/dbraw/zinc/19/47/36/1069194736.db2.gz JDNAUUMYGYIQCO-LGVFNWMJSA-N 1 0 470.589 4.361 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849553652 1069198320 /nfs/dbraw/zinc/19/83/20/1069198320.db2.gz KAKLPNOLMXOBFC-VXKWHMMOSA-N 1 0 456.587 4.211 20 0 JIADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556206 1069200814 /nfs/dbraw/zinc/20/08/14/1069200814.db2.gz AZKJAIMCOOTSHZ-RBZQAINGSA-N 1 0 454.977 4.496 20 0 JIADRO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849555729 1069202684 /nfs/dbraw/zinc/20/26/84/1069202684.db2.gz SMHYFTCMETXHPC-XZOQPEGZSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849559686 1069208396 /nfs/dbraw/zinc/20/83/96/1069208396.db2.gz VYEOZLLVFJGTEU-CVEARBPZSA-N 1 0 481.822 4.076 20 0 JIADRO CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849565292 1069215379 /nfs/dbraw/zinc/21/53/79/1069215379.db2.gz SRHLYRBXLBIAHO-JTHBVZDNSA-N 1 0 453.631 4.133 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849565836 1069216111 /nfs/dbraw/zinc/21/61/11/1069216111.db2.gz WVLWGQBBCUWIOK-ZDXQCDESSA-N 1 0 452.002 4.188 20 0 JIADRO CCOc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567556 1069219390 /nfs/dbraw/zinc/21/93/90/1069219390.db2.gz HYDNGBSPMVSLRC-SDHOMARFSA-N 1 0 467.013 4.413 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCC2 ZINC000849570147 1069220930 /nfs/dbraw/zinc/22/09/30/1069220930.db2.gz ZSNNXEXVDFHDHP-PMACEKPBSA-N 1 0 459.432 4.284 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572388 1069222672 /nfs/dbraw/zinc/22/26/72/1069222672.db2.gz OGARFEFORJMIAK-ZWKOTPCHSA-N 1 0 487.364 4.332 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849574289 1069225320 /nfs/dbraw/zinc/22/53/20/1069225320.db2.gz XGNLITXCBOALIU-RTWAWAEBSA-N 1 0 459.432 4.366 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576205 1069228380 /nfs/dbraw/zinc/22/83/80/1069228380.db2.gz HRRXOIWRNQRIPL-FGTMMUONSA-N 1 0 473.337 4.028 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581379 1069231513 /nfs/dbraw/zinc/23/15/13/1069231513.db2.gz GSHXITFAILTLAR-HKNBKANMSA-N 1 0 453.656 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586151 1069236088 /nfs/dbraw/zinc/23/60/88/1069236088.db2.gz GIYCEDOVTRBFGR-XZOQPEGZSA-N 1 0 473.459 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849586586 1069237889 /nfs/dbraw/zinc/23/78/89/1069237889.db2.gz QFDRGPHXBDPAHF-AFYVEPGGSA-N 1 0 477.422 4.198 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849587283 1069238131 /nfs/dbraw/zinc/23/81/31/1069238131.db2.gz SIJVECUAGHOXLI-IPJJNNNSSA-N 1 0 477.422 4.499 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586745 1069239050 /nfs/dbraw/zinc/23/90/50/1069239050.db2.gz FTBOXUGEVMFMHR-IAGOWNOFSA-N 1 0 461.994 4.242 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849587565 1069240355 /nfs/dbraw/zinc/24/03/55/1069240355.db2.gz UJUXIEGBCWTCLI-HOTGVXAUSA-N 1 0 460.447 4.493 20 0 JIADRO CCN(C(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Cl)C(C)C ZINC000849587940 1069240455 /nfs/dbraw/zinc/24/04/55/1069240455.db2.gz JSEZZJDQGZEARD-UNMCSNQZSA-N 1 0 474.049 4.397 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849589409 1069240988 /nfs/dbraw/zinc/24/09/88/1069240988.db2.gz RCTXWZBCIGUABP-VJBWXMMDSA-N 1 0 488.474 4.100 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849591002 1069242950 /nfs/dbraw/zinc/24/29/50/1069242950.db2.gz BGOATUOARPKYQE-LSDHHAIUSA-N 1 0 462.417 4.245 20 0 JIADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4cc(F)cc(F)c4)cc(c32)C1=O ZINC001200673903 1069242961 /nfs/dbraw/zinc/24/29/61/1069242961.db2.gz XPBMCKBGUXFIRE-UHFFFAOYSA-N 1 0 454.502 4.085 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591651 1069244439 /nfs/dbraw/zinc/24/44/39/1069244439.db2.gz KDCFIQSCCOEXHN-MMKMLUHNSA-N 1 0 457.416 4.291 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849594158 1069246493 /nfs/dbraw/zinc/24/64/93/1069246493.db2.gz CWTIEFQXNAYINT-WOJBJXKFSA-N 1 0 485.430 4.036 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000849597488 1069251212 /nfs/dbraw/zinc/25/12/12/1069251212.db2.gz SVTXPLLCDCOVAA-UKDVSSAZSA-N 1 0 468.642 4.079 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cn1 ZINC000849597473 1069252013 /nfs/dbraw/zinc/25/20/13/1069252013.db2.gz SSOIGLKCBXFSTL-NNWRFLSQSA-N 1 0 497.640 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599428 1069255129 /nfs/dbraw/zinc/25/51/29/1069255129.db2.gz NMEJWSJPHPOHPJ-ROUUACIJSA-N 1 0 469.577 4.116 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599326 1069255275 /nfs/dbraw/zinc/25/52/75/1069255275.db2.gz AQMIZPQUGZXAIF-FUDKSRODSA-N 1 0 459.619 4.165 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849601423 1069257123 /nfs/dbraw/zinc/25/71/23/1069257123.db2.gz VKGXWJQTGAEEPQ-RPWUZVMVSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849601300 1069257747 /nfs/dbraw/zinc/25/77/47/1069257747.db2.gz JGJJYDIUVWPXAK-KAYWLYCHSA-N 1 0 456.634 4.257 20 0 JIADRO CCCCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849607867 1069265718 /nfs/dbraw/zinc/26/57/18/1069265718.db2.gz ZKIYQBQUNMSSHU-NHCUHLMSSA-N 1 0 453.612 4.397 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849608946 1069266578 /nfs/dbraw/zinc/26/65/78/1069266578.db2.gz RCMQREMSYJKIPK-OALUTQOASA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849608944 1069266884 /nfs/dbraw/zinc/26/68/84/1069266884.db2.gz RCMQREMSYJKIPK-MOPGFXCFSA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849610250 1069267680 /nfs/dbraw/zinc/26/76/80/1069267680.db2.gz YTGBYMMFSXVRLF-XZOQPEGZSA-N 1 0 450.558 4.482 20 0 JIADRO Cc1ccccc1-n1ncc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(F)F ZINC000849610173 1069268006 /nfs/dbraw/zinc/26/80/06/1069268006.db2.gz XWWAGXLTWQZKDI-RBUKOAKNSA-N 1 0 456.541 4.304 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612257 1069271709 /nfs/dbraw/zinc/27/17/09/1069271709.db2.gz JIMQJJMOFXVMSD-SJLPKXTDSA-N 1 0 472.387 4.290 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CCN1CCOC(C)(C)C1 ZINC001492577768 1069283463 /nfs/dbraw/zinc/28/34/63/1069283463.db2.gz WEVBOWTVIRJVBC-UHFFFAOYSA-N 1 0 453.656 4.029 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=S)Nc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC001200685788 1069285481 /nfs/dbraw/zinc/28/54/81/1069285481.db2.gz GGVZJIOUNIDVDW-SFHVURJKSA-N 1 0 486.632 4.251 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300637668 1069294341 /nfs/dbraw/zinc/29/43/41/1069294341.db2.gz RWACHWJPCKJFSP-GOSISDBHSA-N 1 0 481.563 4.376 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300638899 1069300410 /nfs/dbraw/zinc/30/04/10/1069300410.db2.gz GKPOYBFMRHFFSZ-NHCUHLMSSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300638900 1069300429 /nfs/dbraw/zinc/30/04/29/1069300429.db2.gz GKPOYBFMRHFFSZ-RTWAWAEBSA-N 1 0 485.673 4.237 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4CCCO[C@@H]4C3)c21 ZINC001164421485 718901090 /nfs/dbraw/zinc/90/10/90/718901090.db2.gz RJMXTIDAIYHYFT-TZIWHRDSSA-N 1 0 467.997 4.402 20 0 JIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4CCCO[C@H]4C3)c21 ZINC001164421482 718901166 /nfs/dbraw/zinc/90/11/66/718901166.db2.gz RJMXTIDAIYHYFT-CTNGQTDRSA-N 1 0 467.997 4.402 20 0 JIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425272 718918964 /nfs/dbraw/zinc/91/89/64/718918964.db2.gz RCRIOCKNATZISC-HSZRJFAPSA-N 1 0 474.939 4.080 20 0 JIADRO FC1(F)CO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164422965 718927561 /nfs/dbraw/zinc/92/75/61/718927561.db2.gz CKRFQMRHCJUKEP-UXHICEINSA-N 1 0 461.940 4.227 20 0 JIADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164424038 718945563 /nfs/dbraw/zinc/94/55/63/718945563.db2.gz NGDKJJMLRZFSAJ-NHCUHLMSSA-N 1 0 491.661 4.238 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164619898 719011022 /nfs/dbraw/zinc/01/10/22/719011022.db2.gz XKFRBXOESIKFBS-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613970 719017388 /nfs/dbraw/zinc/01/73/88/719017388.db2.gz AUOPVEVOCXJYHI-ILWGZMRPSA-N 1 0 491.661 4.074 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617836 719017422 /nfs/dbraw/zinc/01/74/22/719017422.db2.gz QDGQEDDUIKQNPY-YTQUADARSA-N 1 0 497.690 4.136 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617832 719017452 /nfs/dbraw/zinc/01/74/52/719017452.db2.gz QDGQEDDUIKQNPY-NEWSRXKRSA-N 1 0 497.690 4.136 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001164615982 719020305 /nfs/dbraw/zinc/02/03/05/719020305.db2.gz KGKSLQIRJUTLAH-DOPJRALCSA-N 1 0 456.320 4.330 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(OCc5ccccc5)ccc43)CC2)CC1 ZINC001164617943 719034691 /nfs/dbraw/zinc/03/46/91/719034691.db2.gz PXJBFDUFJFPSIX-UHFFFAOYSA-N 1 0 474.605 4.453 20 0 JIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629658 719073169 /nfs/dbraw/zinc/07/31/69/719073169.db2.gz YPQFMJKVAZPZST-ICSRJNTNSA-N 1 0 476.955 4.343 20 0 JIADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21 ZINC001164634325 719140340 /nfs/dbraw/zinc/14/03/40/719140340.db2.gz UOJVROLUAHDSPQ-RUZDIDTESA-N 1 0 462.638 4.155 20 0 JIADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643587 719235364 /nfs/dbraw/zinc/23/53/64/719235364.db2.gz ZKSWTFVBNIJRHM-FCHUYYIVSA-N 1 0 464.635 4.002 20 0 JIADRO CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164664483 719360208 /nfs/dbraw/zinc/36/02/08/719360208.db2.gz NOCCFHBNVFVYHJ-UHFFFAOYSA-N 1 0 496.027 4.200 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)cc(Cl)n3)CC2)c2ccccc21 ZINC001164682683 719656402 /nfs/dbraw/zinc/65/64/02/719656402.db2.gz SUBNGFNMZGQNGU-QGZVFWFLSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc(C4CC4)n3)CC2)c2ccccc21 ZINC001164684001 719659262 /nfs/dbraw/zinc/65/92/62/719659262.db2.gz VYSYOCAOGFPIKX-IBGZPJMESA-N 1 0 468.045 4.101 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cc4[nH]ccc43)CC2)c2ccccc21 ZINC001164680659 719661337 /nfs/dbraw/zinc/66/13/37/719661337.db2.gz HBFYCTZBARLJEG-SFHVURJKSA-N 1 0 466.029 4.310 20 0 JIADRO CSc1nc2c(c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)CCCC2 ZINC001164680702 719667074 /nfs/dbraw/zinc/66/70/74/719667074.db2.gz GZHQEUGLVQHVJP-HXUWFJFHSA-N 1 0 493.721 4.171 20 0 JIADRO CCOc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681060 719667107 /nfs/dbraw/zinc/66/71/07/719667107.db2.gz JCLTZCWLMNQXHN-LJQANCHMSA-N 1 0 471.045 4.227 20 0 JIADRO CCc1cc2c(ncnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164680046 719668265 /nfs/dbraw/zinc/66/82/65/719668265.db2.gz BARCVVXDLUAOCU-IBGZPJMESA-N 1 0 477.678 4.347 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4[nH]ccc4cc3Cl)CC2)c2ccccc21 ZINC001164685590 719672300 /nfs/dbraw/zinc/67/23/00/719672300.db2.gz VMYOWFYGOXTWPT-IBGZPJMESA-N 1 0 466.029 4.261 20 0 JIADRO Cc1csc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164680512 719676640 /nfs/dbraw/zinc/67/66/40/719676640.db2.gz GUZXUNSQGQIMPN-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)cc1 ZINC001164681945 719677304 /nfs/dbraw/zinc/67/73/04/719677304.db2.gz OMBGLGJOIHPPIP-HSZRJFAPSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4sc5c(c43)CCC5)CC2)c2ccccc21 ZINC001164681899 719677422 /nfs/dbraw/zinc/67/74/22/719677422.db2.gz OCTAZZMYQFKRIZ-LJQANCHMSA-N 1 0 489.689 4.273 20 0 JIADRO COc1ccccc1-c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164682175 719677848 /nfs/dbraw/zinc/67/78/48/719677848.db2.gz PKAMPGHSIHJFAB-QFIPXVFZSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ccc(F)cc4n3)CC2)c2ccccc21 ZINC001164683075 719678548 /nfs/dbraw/zinc/67/85/48/719678548.db2.gz QROQXOVOKWYYFX-OAQYLSRUSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4cccs4)ncn3)CC2)c2ccccc21 ZINC001164682976 719678587 /nfs/dbraw/zinc/67/85/87/719678587.db2.gz QGYKHYNNCLYFBH-HXUWFJFHSA-N 1 0 475.662 4.299 20 0 JIADRO Cc1nc(-c2ccccn2)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680847 719680723 /nfs/dbraw/zinc/68/07/23/719680723.db2.gz HZKAWDDMFRKHOT-QHCPKHFHSA-N 1 0 498.675 4.249 20 0 JIADRO COc1cc(C)c2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164687744 719683822 /nfs/dbraw/zinc/68/38/22/719683822.db2.gz UYQOJMXWPJRESK-NRFANRHFSA-N 1 0 487.648 4.040 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164690249 719747525 /nfs/dbraw/zinc/74/75/25/719747525.db2.gz WSTBAMNKZMHDFX-UHFFFAOYSA-N 1 0 461.635 4.417 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692136 719759781 /nfs/dbraw/zinc/75/97/81/719759781.db2.gz RZVVYGABILZVRJ-BCHFMIIMSA-N 1 0 496.656 4.487 20 0 JIADRO COc1cc2nc(C)nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692609 719808885 /nfs/dbraw/zinc/80/88/85/719808885.db2.gz LEVHKEXJNTWAMQ-UHFFFAOYSA-N 1 0 453.612 4.355 20 0 JIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC(C)CC4)cn2)CC3)cs1 ZINC001164691284 719813456 /nfs/dbraw/zinc/81/34/56/719813456.db2.gz DJLLKCGGWNFWEE-UHFFFAOYSA-N 1 0 453.656 4.354 20 0 JIADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H]2CCCO[C@H]12 ZINC001164710718 720062976 /nfs/dbraw/zinc/06/29/76/720062976.db2.gz GELUBIUJSBHRTN-LGVFNWMJSA-N 1 0 498.023 4.169 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164711165 720096661 /nfs/dbraw/zinc/09/66/61/720096661.db2.gz OUFKYFOMOBWLPN-MRXNPFEDSA-N 1 0 472.367 4.231 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164710720 720106300 /nfs/dbraw/zinc/10/63/00/720106300.db2.gz LJKHKGHNSUBFHQ-MRXNPFEDSA-N 1 0 472.367 4.231 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164719499 720119567 /nfs/dbraw/zinc/11/95/67/720119567.db2.gz XNSBZVIKFACIEC-OAQYLSRUSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)c(Cl)n1)CC2 ZINC001164716949 720123382 /nfs/dbraw/zinc/12/33/82/720123382.db2.gz MDGJBMVKOKBUIN-SFHVURJKSA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164714074 720133948 /nfs/dbraw/zinc/13/39/48/720133948.db2.gz VWZHPYMYACSHLE-QFIPXVFZSA-N 1 0 463.557 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164713024 720138578 /nfs/dbraw/zinc/13/85/78/720138578.db2.gz OYDQFCZIFQCZRA-QHCPKHFHSA-N 1 0 472.637 4.133 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164712712 720144534 /nfs/dbraw/zinc/14/45/34/720144534.db2.gz OOZYVKSMIZTRBM-HSZRJFAPSA-N 1 0 498.071 4.310 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817528 720168734 /nfs/dbraw/zinc/16/87/34/720168734.db2.gz PSTYKUPICKJPLQ-HFZDXXHNSA-N 1 0 469.699 4.089 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819512 720170932 /nfs/dbraw/zinc/17/09/32/720170932.db2.gz XPAPONGHJQPAFB-NBGIEHNGSA-N 1 0 455.002 4.172 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814333 720185334 /nfs/dbraw/zinc/18/53/34/720185334.db2.gz FUEORNBIHMUDQF-DVECYGJZSA-N 1 0 451.596 4.045 20 0 JIADRO Cc1nc2scc(-c3cccs3)c2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164717702 720197386 /nfs/dbraw/zinc/19/73/86/720197386.db2.gz WJEFLFOGACHIIW-IBGZPJMESA-N 1 0 495.678 4.073 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)F)nc3ccc(Cl)cc31)CCC2 ZINC001164817345 720243471 /nfs/dbraw/zinc/24/34/71/720243471.db2.gz QISSUZDRNLNSOC-UHFFFAOYSA-N 1 0 462.932 4.028 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001164816606 720246064 /nfs/dbraw/zinc/24/60/64/720246064.db2.gz KQRIWLBQYUXBMY-UHFFFAOYSA-N 1 0 483.016 4.292 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001164819980 720314712 /nfs/dbraw/zinc/31/47/12/720314712.db2.gz FUCVWLZRKQSXKB-DQEYMECFSA-N 1 0 482.632 4.117 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001164825802 720315762 /nfs/dbraw/zinc/31/57/62/720315762.db2.gz TYDLEIRZJPTVBV-LOSJGSFVSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164832517 720322169 /nfs/dbraw/zinc/32/21/69/720322169.db2.gz UGOUPGOFJAPJKE-ZWKOTPCHSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001164832515 720322629 /nfs/dbraw/zinc/32/26/29/720322629.db2.gz UGOUPGOFJAPJKE-ROUUACIJSA-N 1 0 498.405 4.393 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825969 720339036 /nfs/dbraw/zinc/33/90/36/720339036.db2.gz KASCDWYCCCGUII-JWQCQUIFSA-N 1 0 486.664 4.008 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(SCc3ccccc3)ccn2)CC1 ZINC001164829182 720344195 /nfs/dbraw/zinc/34/41/95/720344195.db2.gz QWCPMNCHXQUOGF-DNQXCXABSA-N 1 0 450.652 4.285 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164828630 720345352 /nfs/dbraw/zinc/34/53/52/720345352.db2.gz OVPVYSSPFXQCDV-FGZHOGPDSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001164822256 720347167 /nfs/dbraw/zinc/34/71/67/720347167.db2.gz CXVWITAODUELJN-PMACEKPBSA-N 1 0 486.085 4.259 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829632 720352295 /nfs/dbraw/zinc/35/22/95/720352295.db2.gz SZUMKCGVEOGTFJ-PMACEKPBSA-N 1 0 470.017 4.142 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164824307 720352351 /nfs/dbraw/zinc/35/23/51/720352351.db2.gz HVSACFKJTICCPY-RTBURBONSA-N 1 0 490.435 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164823570 720356311 /nfs/dbraw/zinc/35/63/11/720356311.db2.gz HBRNWBVBMGPHQS-VXKWHMMOSA-N 1 0 481.031 4.460 20 0 JIADRO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728323 720406868 /nfs/dbraw/zinc/40/68/68/720406868.db2.gz SYHYWXJMECPMPI-VQTJNVASSA-N 1 0 471.989 4.114 20 0 JIADRO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728325 720407589 /nfs/dbraw/zinc/40/75/89/720407589.db2.gz SYHYWXJMECPMPI-WOJBJXKFSA-N 1 0 471.989 4.114 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3F)nc3ccc(Cl)cc32)C1 ZINC001164727543 720510341 /nfs/dbraw/zinc/51/03/41/720510341.db2.gz CFFUTBPMTXCAHZ-INIZCTEOSA-N 1 0 450.949 4.484 20 0 JIADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164733333 720524445 /nfs/dbraw/zinc/52/44/45/720524445.db2.gz JCGMRCFGDRIAGN-PMACEKPBSA-N 1 0 493.725 4.197 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834653 720536207 /nfs/dbraw/zinc/53/62/07/720536207.db2.gz FOICHAZWSFZKBO-DJPFJPOOSA-N 1 0 460.960 4.402 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@@H]5COc5ccccn5)C4)ccc3C2)cc1 ZINC001164736228 720538379 /nfs/dbraw/zinc/53/83/79/720538379.db2.gz WDOYMMJKIWZTCL-IRPSRAIASA-N 1 0 470.617 4.489 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736657 720590375 /nfs/dbraw/zinc/59/03/75/720590375.db2.gz QGRUCBBVFFZZST-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839703 720598175 /nfs/dbraw/zinc/59/81/75/720598175.db2.gz OCABFABCNUJAQO-SFHLNBCPSA-N 1 0 450.656 4.453 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841318 720598388 /nfs/dbraw/zinc/59/83/88/720598388.db2.gz RVEFYQVHVLBKIL-SLFFLAALSA-N 1 0 487.986 4.311 20 0 JIADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164839487 720599936 /nfs/dbraw/zinc/59/99/36/720599936.db2.gz NKZDIFDFYWOWDB-NLWGTHIKSA-N 1 0 450.656 4.317 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]21 ZINC001164841274 720602657 /nfs/dbraw/zinc/60/26/57/720602657.db2.gz RUGCVEGTPWFZGV-WATLYSKOSA-N 1 0 453.594 4.266 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838771 720632398 /nfs/dbraw/zinc/63/23/98/720632398.db2.gz LSDVJKLHMQDYHG-CNNODRBYSA-N 1 0 459.623 4.328 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1Cl ZINC001164842719 720678876 /nfs/dbraw/zinc/67/88/76/720678876.db2.gz MYROKIJGCIJXRL-IBGZPJMESA-N 1 0 479.955 4.326 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844566 720683566 /nfs/dbraw/zinc/68/35/66/720683566.db2.gz UKPLPELVWWXFMA-GOSISDBHSA-N 1 0 479.955 4.326 20 0 JIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842482 720741593 /nfs/dbraw/zinc/74/15/93/720741593.db2.gz FKPIQKSCEYGRGY-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844975 720742265 /nfs/dbraw/zinc/74/22/65/720742265.db2.gz WOTQXFAJRLAPRU-UHFFFAOYSA-N 1 0 469.927 4.119 20 0 JIADRO C[N@H+](Cc1ccc(N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)nc1)C1CC1 ZINC001164843970 720745018 /nfs/dbraw/zinc/74/50/18/720745018.db2.gz NFKUVSMOSCNOPB-UHFFFAOYSA-N 1 0 456.590 4.463 20 0 JIADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744210 720758067 /nfs/dbraw/zinc/75/80/67/720758067.db2.gz RMOKTJAHDPAZRS-WOJBJXKFSA-N 1 0 458.953 4.082 20 0 JIADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745376 720758656 /nfs/dbraw/zinc/75/86/56/720758656.db2.gz VIJJCIARLVMBSO-QZTJIDSGSA-N 1 0 464.982 4.144 20 0 JIADRO COc1ccc2c(c1)nc(N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164743939 720762098 /nfs/dbraw/zinc/76/20/98/720762098.db2.gz QPYMNEAFWMDATQ-IRLDBZIGSA-N 1 0 453.546 4.042 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164854226 720845051 /nfs/dbraw/zinc/84/50/51/720845051.db2.gz QFAGXYBBIUSWIW-GAJHUEQPSA-N 1 0 470.976 4.263 20 0 JIADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164744631 720845785 /nfs/dbraw/zinc/84/57/85/720845785.db2.gz LAALRLOQAOCMOY-QHAWAJNXSA-N 1 0 451.663 4.043 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748040 720847050 /nfs/dbraw/zinc/84/70/50/720847050.db2.gz SHMJLKAFHIBDQI-TWJOJJKGSA-N 1 0 496.663 4.067 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCCCC3 ZINC001164747535 720848014 /nfs/dbraw/zinc/84/80/14/720848014.db2.gz RECMZUYPAJVMEP-TUNNFDKTSA-N 1 0 477.682 4.240 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164740003 720848254 /nfs/dbraw/zinc/84/82/54/720848254.db2.gz BLMMQJDKSHSUEZ-HFSMHLIXSA-N 1 0 483.979 4.032 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164740005 720848530 /nfs/dbraw/zinc/84/85/30/720848530.db2.gz BLMMQJDKSHSUEZ-YFVAEKQCSA-N 1 0 483.979 4.032 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164751231 720852986 /nfs/dbraw/zinc/85/29/86/720852986.db2.gz QYURKYSDQOCJJL-AZSVPQILSA-N 1 0 495.631 4.276 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164751238 720853089 /nfs/dbraw/zinc/85/30/89/720853089.db2.gz QYURKYSDQOCJJL-VMODYCNZSA-N 1 0 495.631 4.276 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853030 720862433 /nfs/dbraw/zinc/86/24/33/720862433.db2.gz GFBACQKKIBHNON-AUSIDOKSSA-N 1 0 452.986 4.124 20 0 JIADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752491 720867282 /nfs/dbraw/zinc/86/72/82/720867282.db2.gz NCJYNJTXIQTQAA-GMAHTHKFSA-N 1 0 462.972 4.430 20 0 JIADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755780 720870303 /nfs/dbraw/zinc/87/03/03/720870303.db2.gz YXHYLCFHQNUGED-OFNKIYASSA-N 1 0 462.972 4.430 20 0 JIADRO Clc1nc2ccoc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747998 720875507 /nfs/dbraw/zinc/87/55/07/720875507.db2.gz DFLQDJUQVWEWPT-DVECYGJZSA-N 1 0 453.974 4.026 20 0 JIADRO c1ccc(COc2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751556 720878356 /nfs/dbraw/zinc/87/83/56/720878356.db2.gz KYUMZDOHYZDALA-WNJJXGMVSA-N 1 0 485.632 4.206 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748397 720878505 /nfs/dbraw/zinc/87/85/05/720878505.db2.gz DPQWLQVPGVBBNT-RLWLMLJZSA-N 1 0 468.045 4.159 20 0 JIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753853 720879342 /nfs/dbraw/zinc/87/93/42/720879342.db2.gz QEHNDYWLSXYMMN-GCJKJVERSA-N 1 0 498.405 4.478 20 0 JIADRO FC(F)(Oc1cccnc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755443 720879860 /nfs/dbraw/zinc/87/98/60/720879860.db2.gz WYQNSCTVAKFFKY-NZQKXSOJSA-N 1 0 478.971 4.310 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756516 720882680 /nfs/dbraw/zinc/88/26/80/720882680.db2.gz PWUIPNOPWUAHIW-AMGIVPHBSA-N 1 0 499.055 4.370 20 0 JIADRO Clc1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cn1 ZINC001164756850 720882934 /nfs/dbraw/zinc/88/29/34/720882934.db2.gz RNNGNCIYCJXJIM-NVQXNPDNSA-N 1 0 464.013 4.433 20 0 JIADRO COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756601 720885037 /nfs/dbraw/zinc/88/50/37/720885037.db2.gz QTROEOTXYAIXCO-SVEHJYQDSA-N 1 0 486.616 4.172 20 0 JIADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164757879 720889202 /nfs/dbraw/zinc/88/92/02/720889202.db2.gz WAOISSOUYGBXHM-CUBQBAPOSA-N 1 0 478.637 4.187 20 0 JIADRO c1ccc(COc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751807 720889243 /nfs/dbraw/zinc/88/92/43/720889243.db2.gz DTKMUWXCYXQVBZ-LITSAYRRSA-N 1 0 485.632 4.206 20 0 JIADRO COc1ccc2nc(Cl)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2n1 ZINC001164754415 720893284 /nfs/dbraw/zinc/89/32/84/720893284.db2.gz IUUZPLUWENDVEO-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO CC(C)(C)Oc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757130 720894519 /nfs/dbraw/zinc/89/45/19/720894519.db2.gz STNGREVHRDVACM-YIXXDRMTSA-N 1 0 450.627 4.409 20 0 JIADRO COc1ccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755404 720895977 /nfs/dbraw/zinc/89/59/77/720895977.db2.gz LWDKWXRLLYJKTN-RBJSKKJNSA-N 1 0 458.606 4.394 20 0 JIADRO Clc1cc2cc[nH]c2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758209 720896115 /nfs/dbraw/zinc/89/61/15/720896115.db2.gz XTBDJBQYJAFLNV-PXDATVDWSA-N 1 0 452.002 4.318 20 0 JIADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756947 720897312 /nfs/dbraw/zinc/89/73/12/720897312.db2.gz SLMGZMRBNWISGH-OUTSHDOLSA-N 1 0 486.616 4.172 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164751386 720904638 /nfs/dbraw/zinc/90/46/38/720904638.db2.gz LTGOTVBPYRXNHF-RXFWQSSRSA-N 1 0 481.044 4.324 20 0 JIADRO COc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164747193 720912819 /nfs/dbraw/zinc/91/28/19/720912819.db2.gz CBGQRFUOMYBEQA-FUFSCUOVSA-N 1 0 485.632 4.302 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748456 720935161 /nfs/dbraw/zinc/93/51/61/720935161.db2.gz GEQOWLFOAFUQLA-LBNVMWSVSA-N 1 0 477.653 4.196 20 0 JIADRO NC(=S)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164748538 720938426 /nfs/dbraw/zinc/93/84/26/720938426.db2.gz GTUVPIMKPIUFPT-RXFWQSSRSA-N 1 0 493.702 4.081 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@H]2C ZINC001164860425 721000465 /nfs/dbraw/zinc/00/04/65/721000465.db2.gz OAXGQXVVXACVMG-HNNXBMFYSA-N 1 0 461.948 4.355 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@H]2C ZINC001164860304 721009144 /nfs/dbraw/zinc/00/91/44/721009144.db2.gz KTPYYFRHTLDBTI-HNNXBMFYSA-N 1 0 461.948 4.355 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@]5(C[C@@H](OCc6ccccn6)CO5)C4)ccc3C2)cc1 ZINC001164763731 721027166 /nfs/dbraw/zinc/02/71/66/721027166.db2.gz KTTWXALMSCJXGI-UHSQPCAPSA-N 1 0 470.617 4.380 20 0 JIADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164758892 721043832 /nfs/dbraw/zinc/04/38/32/721043832.db2.gz CULHTDBFMKYFCK-UHFFFAOYSA-N 1 0 457.018 4.427 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868930 721067022 /nfs/dbraw/zinc/06/70/22/721067022.db2.gz RGOZJAUNARFNJE-UPVQGACJSA-N 1 0 485.563 4.319 20 0 JIADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865709 721096963 /nfs/dbraw/zinc/09/69/63/721096963.db2.gz OUEGAAXJURTGIE-SJORKVTESA-N 1 0 480.346 4.356 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C[C@H]3C2)cn1 ZINC001164774057 721101281 /nfs/dbraw/zinc/10/12/81/721101281.db2.gz YTILLWJTXIMPAM-UONOGXRCSA-N 1 0 451.789 4.282 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865991 721111294 /nfs/dbraw/zinc/11/12/94/721111294.db2.gz QVWBFXVRFAYDDE-IAGOWNOFSA-N 1 0 459.377 4.425 20 0 JIADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870283 721184835 /nfs/dbraw/zinc/18/48/35/721184835.db2.gz CGPBIIZELHKWOD-UYAOXDASSA-N 1 0 472.376 4.450 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866800 721195804 /nfs/dbraw/zinc/19/58/04/721195804.db2.gz DFCWLVBQXFEENI-OALUTQOASA-N 1 0 460.912 4.415 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765877 721198935 /nfs/dbraw/zinc/19/89/35/721198935.db2.gz IOPUWELSJBZEIK-NHCUHLMSSA-N 1 0 459.623 4.062 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164771903 721205931 /nfs/dbraw/zinc/20/59/31/721205931.db2.gz RWUVSYINHVCOFH-HOTGVXAUSA-N 1 0 464.973 4.095 20 0 JIADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164768916 721244643 /nfs/dbraw/zinc/24/46/43/721244643.db2.gz YMZBXXYMARHSSR-PMACEKPBSA-N 1 0 472.971 4.342 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775181 721308480 /nfs/dbraw/zinc/30/84/80/721308480.db2.gz ATJQNLUXFWAEPN-DEOSSOPVSA-N 1 0 463.626 4.016 20 0 JIADRO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164880385 721317077 /nfs/dbraw/zinc/31/70/77/721317077.db2.gz XHUHXLRKAHSZKG-VWLOTQADSA-N 1 0 452.602 4.140 20 0 JIADRO O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164874705 721329459 /nfs/dbraw/zinc/32/94/59/721329459.db2.gz ICISNTUECFSGBL-UHFFFAOYSA-N 1 0 494.011 4.246 20 0 JIADRO COc1ccc2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164776612 721331485 /nfs/dbraw/zinc/33/14/85/721331485.db2.gz GXUOHTJLERQTGG-DEOSSOPVSA-N 1 0 471.989 4.016 20 0 JIADRO CCOC(=O)c1cc2c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH]c(C)c(C)c-2n1 ZINC001164782941 721356142 /nfs/dbraw/zinc/35/61/42/721356142.db2.gz NXMPXVSZCGFDSZ-HHHXNRCGSA-N 1 0 495.624 4.080 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)nccc43)C2)C1 ZINC001164786073 721363933 /nfs/dbraw/zinc/36/39/33/721363933.db2.gz VYABDDCAWHEKNJ-JOCHJYFZSA-N 1 0 477.396 4.055 20 0 JIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780182 721376552 /nfs/dbraw/zinc/37/65/52/721376552.db2.gz FHTKZRPBTSBVET-GKVSMKOHSA-N 1 0 452.603 4.195 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894588 721396651 /nfs/dbraw/zinc/39/66/51/721396651.db2.gz ZEPQCJJEGMNQRT-MHECFPHRSA-N 1 0 469.680 4.185 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)cc1 ZINC001164892877 721421824 /nfs/dbraw/zinc/42/18/24/721421824.db2.gz YZEMMWCFVCHIFF-PWUYWRBVSA-N 1 0 471.649 4.371 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCCCC3 ZINC001164891597 721435466 /nfs/dbraw/zinc/43/54/66/721435466.db2.gz HHHHFICLXLOFGH-IBVKSMDESA-N 1 0 469.699 4.034 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)s1 ZINC001164894427 721439433 /nfs/dbraw/zinc/43/94/33/721439433.db2.gz MNLUUEBDMIFVMA-ZBLYBZFDSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895850 721441163 /nfs/dbraw/zinc/44/11/63/721441163.db2.gz QHOOXDMNZIZZFC-XUZZJYLKSA-N 1 0 492.014 4.107 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164896475 721442085 /nfs/dbraw/zinc/44/20/85/721442085.db2.gz RKXBDFBZCQUZSC-HFZDXXHNSA-N 1 0 470.061 4.179 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892282 721443414 /nfs/dbraw/zinc/44/34/14/721443414.db2.gz HYNAURHJSACEHK-QPPBQGQZSA-N 1 0 492.014 4.107 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164785225 721450931 /nfs/dbraw/zinc/45/09/31/721450931.db2.gz HKVGROWPSVVVIK-MRXNPFEDSA-N 1 0 479.399 4.062 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164788562 721451867 /nfs/dbraw/zinc/45/18/67/721451867.db2.gz RJSFSPPLGSCPCH-KRWDZBQOSA-N 1 0 491.048 4.131 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892752 721453140 /nfs/dbraw/zinc/45/31/40/721453140.db2.gz XVVUMQNJWDOMSL-XXBNENTESA-N 1 0 480.987 4.305 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164784303 721458334 /nfs/dbraw/zinc/45/83/34/721458334.db2.gz HHAOYDJJHDPSPW-GOSISDBHSA-N 1 0 462.685 4.147 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164783535 721459090 /nfs/dbraw/zinc/45/90/90/721459090.db2.gz DJMJUMAKBJHLPE-GOSISDBHSA-N 1 0 473.992 4.022 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164790146 721461206 /nfs/dbraw/zinc/46/12/06/721461206.db2.gz ZROWHJLVAYQMPK-FQEVSTJZSA-N 1 0 456.656 4.086 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890344 721461935 /nfs/dbraw/zinc/46/19/35/721461935.db2.gz RAFFTKIRJNEUOC-RDGATRHJSA-N 1 0 453.656 4.413 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890342 721462083 /nfs/dbraw/zinc/46/20/83/721462083.db2.gz RAFFTKIRJNEUOC-RCZVLFRGSA-N 1 0 453.656 4.413 20 0 JIADRO CCOC(=O)c1cc2c(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164788531 721462453 /nfs/dbraw/zinc/46/24/53/721462453.db2.gz TXNPTPNMALRVJP-JOCHJYFZSA-N 1 0 498.668 4.090 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164785785 721462617 /nfs/dbraw/zinc/46/26/17/721462617.db2.gz NLERTRDYRQEEAN-IBGZPJMESA-N 1 0 457.993 4.322 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(Cl)n1 ZINC001164790624 721468598 /nfs/dbraw/zinc/46/85/98/721468598.db2.gz SNEUHSZJHPAWBU-QGZVFWFLSA-N 1 0 457.446 4.080 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164787299 721470695 /nfs/dbraw/zinc/47/06/95/721470695.db2.gz DVQDCIKAPUISNA-RUZDIDTESA-N 1 0 480.653 4.098 20 0 JIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@@H+]3C2)c1 ZINC001164905327 721557661 /nfs/dbraw/zinc/55/76/61/721557661.db2.gz GTDHGWIHZGVOAG-WMZOPIPTSA-N 1 0 475.902 4.218 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804005 721577079 /nfs/dbraw/zinc/57/70/79/721577079.db2.gz KQRYSUSXLRFWCP-IFKAHUTRSA-N 1 0 472.637 4.272 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907468 721586362 /nfs/dbraw/zinc/58/63/62/721586362.db2.gz TZHKBLFETYMARF-QHCPKHFHSA-N 1 0 487.938 4.203 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165008028 721691816 /nfs/dbraw/zinc/69/18/16/721691816.db2.gz IBYCKMAGOCLFCX-UODYQJQCSA-N 1 0 463.626 4.426 20 0 JIADRO COc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164904813 721702233 /nfs/dbraw/zinc/70/22/33/721702233.db2.gz GQNOVVQFYFJTQV-LJQANCHMSA-N 1 0 458.887 4.421 20 0 JIADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908300 721709125 /nfs/dbraw/zinc/70/91/25/721709125.db2.gz WXJBZWWLTLIELG-QHCPKHFHSA-N 1 0 477.987 4.396 20 0 JIADRO 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462.683 4.187 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCC[NH+]1CCCCC1 ZINC001359539203 1069836057 /nfs/dbraw/zinc/83/60/57/1069836057.db2.gz XDGNSXMRKRSOIB-UHFFFAOYSA-N 1 0 460.617 4.348 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001359540106 1069837187 /nfs/dbraw/zinc/83/71/87/1069837187.db2.gz IRSHCHNNHLJGHH-UHFFFAOYSA-N 1 0 474.644 4.091 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359542245 1069840335 /nfs/dbraw/zinc/84/03/35/1069840335.db2.gz TXZDZFGIHVACHC-FQEVSTJZSA-N 1 0 465.564 4.083 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001359543539 1069842504 /nfs/dbraw/zinc/84/25/04/1069842504.db2.gz CXRCGCSEASLDEN-UHFFFAOYSA-N 1 0 471.715 4.204 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC1(C)C ZINC001300794502 1069845815 /nfs/dbraw/zinc/84/58/15/1069845815.db2.gz DZPZAOUXMNGEFT-GOSISDBHSA-N 1 0 478.062 4.253 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001492595464 1069846193 /nfs/dbraw/zinc/84/61/93/1069846193.db2.gz ZWZIOBCBECCUGI-UHFFFAOYSA-N 1 0 470.662 4.335 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[C@@H]1C ZINC001300794572 1069846254 /nfs/dbraw/zinc/84/62/54/1069846254.db2.gz KYIKQGHWXZTHRD-ABSDTBQOSA-N 1 0 479.467 4.017 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001359547348 1069852622 /nfs/dbraw/zinc/85/26/22/1069852622.db2.gz LUSUOJXRYBIUGW-DEOSSOPVSA-N 1 0 479.591 4.239 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359546681 1069850751 /nfs/dbraw/zinc/85/07/51/1069850751.db2.gz MTSZWEBMUFOBRQ-FQEVSTJZSA-N 1 0 478.607 4.388 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCn2cc(Cl)cn2)CC1 ZINC001359546726 1069851150 /nfs/dbraw/zinc/85/11/50/1069851150.db2.gz OBBQOHZBIZVSPK-UHFFFAOYSA-N 1 0 460.001 4.193 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001359547519 1069853042 /nfs/dbraw/zinc/85/30/42/1069853042.db2.gz SMECNVGBWJZKPU-UHFFFAOYSA-N 1 0 488.721 4.436 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCc2cccnc2)CC1 ZINC001359547700 1069853922 /nfs/dbraw/zinc/85/39/22/1069853922.db2.gz ZFZKCUKJYUIDCB-UHFFFAOYSA-N 1 0 450.606 4.204 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(C)(C)O)CC1 ZINC001359547715 1069854050 /nfs/dbraw/zinc/85/40/50/1069854050.db2.gz ZXNJTSMHJRMQQK-UHFFFAOYSA-N 1 0 452.647 4.069 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001359548079 1069854235 /nfs/dbraw/zinc/85/42/35/1069854235.db2.gz NCVUIYZUOUNLRY-UHFFFAOYSA-N 1 0 456.541 4.008 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCCOCC(F)F)CC1 ZINC001359549145 1069857017 /nfs/dbraw/zinc/85/70/17/1069857017.db2.gz DJXLQVLDQVZHHB-UHFFFAOYSA-N 1 0 458.557 4.086 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359548971 1069857050 /nfs/dbraw/zinc/85/70/50/1069857050.db2.gz YJUJBUIKRRHCTJ-HXUWFJFHSA-N 1 0 496.597 4.203 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001359549589 1069857577 /nfs/dbraw/zinc/85/75/77/1069857577.db2.gz UROMJLINXHNWTF-AEFFLSMTSA-N 1 0 494.453 4.318 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CC2(C)C)CC1 ZINC001359555608 1069869345 /nfs/dbraw/zinc/86/93/45/1069869345.db2.gz YHDNQESCUPNGGV-HXUWFJFHSA-N 1 0 474.694 4.359 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359556684 1069872878 /nfs/dbraw/zinc/87/28/78/1069872878.db2.gz UVOGHGYFCJRFME-PMACEKPBSA-N 1 0 494.631 4.136 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359561987 1069886218 /nfs/dbraw/zinc/88/62/18/1069886218.db2.gz JRXUNABTBYPYCH-IBGZPJMESA-N 1 0 462.683 4.334 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359566872 1069903980 /nfs/dbraw/zinc/90/39/80/1069903980.db2.gz CAQZSRSFMCBVRI-IBGZPJMESA-N 1 0 489.064 4.435 20 0 JIADRO CC(C)(C)OC(=O)NCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359571582 1069944301 /nfs/dbraw/zinc/94/43/01/1069944301.db2.gz MLVHMEUEZKREKX-JOCHJYFZSA-N 1 0 474.694 4.380 20 0 JIADRO CC(C)(C)OC(=O)NCCCn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359572424 1069950522 /nfs/dbraw/zinc/95/05/22/1069950522.db2.gz NOUVSDJUAISDIL-UHFFFAOYSA-N 1 0 468.646 4.173 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359575308 1069965503 /nfs/dbraw/zinc/96/55/03/1069965503.db2.gz DTZUKWLGFOXKSQ-HXUWFJFHSA-N 1 0 462.683 4.335 20 0 JIADRO CC(C)(C)Oc1ccc(Cn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)cn1 ZINC001359578441 1069990096 /nfs/dbraw/zinc/99/00/96/1069990096.db2.gz GCHNAUKQHOCKTF-QHCPKHFHSA-N 1 0 492.668 4.052 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001359579909 1069999909 /nfs/dbraw/zinc/99/99/09/1069999909.db2.gz XCVSSYBLPPTILD-LEWJYISDSA-N 1 0 491.080 4.014 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001359591775 1070032223 /nfs/dbraw/zinc/03/22/23/1070032223.db2.gz IJHZJFNKJZFNJH-XUVXKRRUSA-N 1 0 487.611 4.435 20 0 JIADRO CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC001359593785 1070038197 /nfs/dbraw/zinc/03/81/97/1070038197.db2.gz AEQFBXIKDBSVGE-SFHVURJKSA-N 1 0 471.955 4.488 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001492595873 1070044070 /nfs/dbraw/zinc/04/40/70/1070044070.db2.gz LGWHIQRRBWWKFQ-NDEPHWFRSA-N 1 0 476.669 4.082 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(F)(F)F ZINC001359596513 1070047988 /nfs/dbraw/zinc/04/79/88/1070047988.db2.gz MJVKTWRZRMNIKF-OAHLLOKOSA-N 1 0 457.491 4.410 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC2)CC1)C(F)(F)F ZINC001359596651 1070048620 /nfs/dbraw/zinc/04/86/20/1070048620.db2.gz PIMQQIWRRNVLQP-UHFFFAOYSA-N 1 0 457.491 4.410 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC001359596677 1070048674 /nfs/dbraw/zinc/04/86/74/1070048674.db2.gz QHDGATXVYMLZHR-UHFFFAOYSA-N 1 0 457.491 4.268 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359597896 1070053021 /nfs/dbraw/zinc/05/30/21/1070053021.db2.gz HQECAXWJOVAJEN-OAQYLSRUSA-N 1 0 482.673 4.418 20 0 JIADRO CC(C)(O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359599589 1070057929 /nfs/dbraw/zinc/05/79/29/1070057929.db2.gz QSFZASKOSUJHRC-UHFFFAOYSA-N 1 0 467.614 4.199 20 0 JIADRO CC(C)=CCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359607573 1070069862 /nfs/dbraw/zinc/06/98/62/1070069862.db2.gz URNSLLHSYLGGEJ-KRWDZBQOSA-N 1 0 480.476 4.426 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001359614152 1070081005 /nfs/dbraw/zinc/08/10/05/1070081005.db2.gz UOMJJNNVETXHDE-DEOSSOPVSA-N 1 0 480.701 4.181 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359620343 1070093229 /nfs/dbraw/zinc/09/32/29/1070093229.db2.gz PDCRVEWOWRIEKA-FQEVSTJZSA-N 1 0 475.081 4.458 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001359620548 1070094554 /nfs/dbraw/zinc/09/45/54/1070094554.db2.gz UEMDPPNMZLGMLX-PZUNEJSGSA-N 1 0 480.701 4.443 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001359620584 1070094649 /nfs/dbraw/zinc/09/46/49/1070094649.db2.gz USBLYHHZPMYXFD-LJQANCHMSA-N 1 0 491.467 4.255 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359621378 1070096489 /nfs/dbraw/zinc/09/64/89/1070096489.db2.gz JTADZSFBSXBROS-KNQAVFIVSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359622802 1070099982 /nfs/dbraw/zinc/09/99/82/1070099982.db2.gz JRRHLIGIHORNBP-YADHBBJMSA-N 1 0 472.703 4.116 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359626428 1070119003 /nfs/dbraw/zinc/11/90/03/1070119003.db2.gz LZQHEDVTLLEADC-QFIPXVFZSA-N 1 0 472.722 4.406 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359628571 1070134443 /nfs/dbraw/zinc/13/44/43/1070134443.db2.gz GCIVIGCBCRNTHP-VWNXMTODSA-N 1 0 482.717 4.376 20 0 JIADRO CC(C)C(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359632920 1070153216 /nfs/dbraw/zinc/15/32/16/1070153216.db2.gz SXPAGRQJBBOCGS-UHFFFAOYSA-N 1 0 489.108 4.243 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359647667 1070201212 /nfs/dbraw/zinc/20/12/12/1070201212.db2.gz FETBAXDOOYILKT-QHCPKHFHSA-N 1 0 494.453 4.318 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359649870 1070210391 /nfs/dbraw/zinc/21/03/91/1070210391.db2.gz XFFGEJYXJZMWRQ-AREMUKBSSA-N 1 0 452.647 4.154 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359655425 1070225499 /nfs/dbraw/zinc/22/54/99/1070225499.db2.gz VXNWOWVXAUBCJM-OAQYLSRUSA-N 1 0 460.711 4.219 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC001359659683 1070267496 /nfs/dbraw/zinc/26/74/96/1070267496.db2.gz BOYNLYCTLPEGLG-OAQYLSRUSA-N 1 0 471.556 4.093 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCC1 ZINC001359660697 1070273109 /nfs/dbraw/zinc/27/31/09/1070273109.db2.gz VMPFNPSFYUMCQK-OAQYLSRUSA-N 1 0 484.446 4.254 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660236 1070271055 /nfs/dbraw/zinc/27/10/55/1070271055.db2.gz LYIGDDFLVNMVQD-OFNKIYASSA-N 1 0 484.664 4.336 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001359662899 1070286528 /nfs/dbraw/zinc/28/65/28/1070286528.db2.gz IHSMYQORVJBTQM-GGAORHGYSA-N 1 0 461.695 4.009 20 0 JIADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC001359664036 1070290304 /nfs/dbraw/zinc/29/03/04/1070290304.db2.gz YPFYBGUWCZVRBE-HSZRJFAPSA-N 1 0 456.654 4.453 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359665298 1070295702 /nfs/dbraw/zinc/29/57/02/1070295702.db2.gz WXLZUPPWIOABOW-NHCUHLMSSA-N 1 0 488.702 4.154 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666160 1070300803 /nfs/dbraw/zinc/30/08/03/1070300803.db2.gz OHQLCHBULHMDEP-UPVQGACJSA-N 1 0 480.701 4.342 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666408 1070301937 /nfs/dbraw/zinc/30/19/37/1070301937.db2.gz TYLHXKVSTVCEDA-HSZRJFAPSA-N 1 0 466.674 4.049 20 0 JIADRO CC(C)c1csc([C@H]2CCCN(c3nnc(Cc4ccncc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001359669675 1070310893 /nfs/dbraw/zinc/31/08/93/1070310893.db2.gz SEKZOQBUOOKVAS-ICSRJNTNSA-N 1 0 453.660 4.178 20 0 JIADRO CC(C)c1ccccc1OCCn1c(Cc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359668807 1070307764 /nfs/dbraw/zinc/30/77/64/1070307764.db2.gz PWYJFPYDFGTWJF-UHFFFAOYSA-N 1 0 462.642 4.387 20 0 JIADRO CC(C)c1nc([C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001359671298 1070315916 /nfs/dbraw/zinc/31/59/16/1070315916.db2.gz OCYRHCGSRGDFDP-RTWAWAEBSA-N 1 0 473.666 4.181 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359676545 1070331321 /nfs/dbraw/zinc/33/13/21/1070331321.db2.gz KZAYGQBKQQZJCV-RXVVDRJESA-N 1 0 466.586 4.451 20 0 JIADRO CC(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359687245 1070343950 /nfs/dbraw/zinc/34/39/50/1070343950.db2.gz HKFWVDJLSNGTMI-MRXNPFEDSA-N 1 0 482.448 4.120 20 0 JIADRO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359692453 1070351528 /nfs/dbraw/zinc/35/15/28/1070351528.db2.gz PPHFHPIUMIXJNG-PXDATVDWSA-N 1 0 493.618 4.496 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359692788 1070352837 /nfs/dbraw/zinc/35/28/37/1070352837.db2.gz YGTGTASTIAGGEX-HKBOAZHASA-N 1 0 462.683 4.406 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001359696231 1070354322 /nfs/dbraw/zinc/35/43/22/1070354322.db2.gz GGZOUJFOSWTQOY-JOCHJYFZSA-N 1 0 474.719 4.093 20 0 JIADRO CC(C)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001359696154 1070354837 /nfs/dbraw/zinc/35/48/37/1070354837.db2.gz DGGUPLGPMWNFEB-NRFANRHFSA-N 1 0 466.674 4.224 20 0 JIADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359699986 1070363003 /nfs/dbraw/zinc/36/30/03/1070363003.db2.gz ZCBAQYFXTIJFIX-UHFFFAOYSA-N 1 0 482.570 4.001 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359699976 1070363040 /nfs/dbraw/zinc/36/30/40/1070363040.db2.gz YSDHCZNFHXCPKY-QFIPXVFZSA-N 1 0 468.646 4.149 20 0 JIADRO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359700790 1070364827 /nfs/dbraw/zinc/36/48/27/1070364827.db2.gz ZFWGJZSMQGTVTN-GOSISDBHSA-N 1 0 453.553 4.206 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001359705466 1070371289 /nfs/dbraw/zinc/37/12/89/1070371289.db2.gz FQSOXOPVBVGXGR-MRXNPFEDSA-N 1 0 486.608 4.372 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359707463 1070374833 /nfs/dbraw/zinc/37/48/33/1070374833.db2.gz UFIOGUSGBPCEFB-DEOSSOPVSA-N 1 0 480.701 4.438 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359706667 1070372614 /nfs/dbraw/zinc/37/26/14/1070372614.db2.gz FGVIYKXCWCDKDB-NFBKMPQASA-N 1 0 480.682 4.412 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706867 1070373703 /nfs/dbraw/zinc/37/37/03/1070373703.db2.gz IOVPPISJWAEQJB-ISKFKSNPSA-N 1 0 480.701 4.437 20 0 JIADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359711633 1070380040 /nfs/dbraw/zinc/38/00/40/1070380040.db2.gz NKKDQMKBYTVYFO-JRFVFWCSSA-N 1 0 487.714 4.106 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315458946 1064269564 /nfs/dbraw/zinc/26/95/64/1064269564.db2.gz IALFORRZTIWDCC-RPWUZVMVSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)cc1O ZINC001315471345 1064310399 /nfs/dbraw/zinc/31/03/99/1064310399.db2.gz DIZFLFNUYNXXBO-UHFFFAOYSA-N 1 0 450.587 4.104 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001315473041 1064313606 /nfs/dbraw/zinc/31/36/06/1064313606.db2.gz WOTUWTYGUMHXPJ-IBGZPJMESA-N 1 0 452.603 4.049 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1O ZINC001315473443 1064315943 /nfs/dbraw/zinc/31/59/43/1064315943.db2.gz GNFWZEMQYQXHNE-JOCHJYFZSA-N 1 0 466.630 4.145 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC001315474255 1064319626 /nfs/dbraw/zinc/31/96/26/1064319626.db2.gz FOWKAJHWSCXFSZ-CTNGQTDRSA-N 1 0 459.610 4.221 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1O ZINC001315476171 1064326413 /nfs/dbraw/zinc/32/64/13/1064326413.db2.gz URWRAACVBBKZCD-UHFFFAOYSA-N 1 0 453.587 4.319 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001315476806 1064328955 /nfs/dbraw/zinc/32/89/55/1064328955.db2.gz USGPQCHRLWKJLW-HSZRJFAPSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001315477069 1064329711 /nfs/dbraw/zinc/32/97/11/1064329711.db2.gz VXOSDYARFAYIBM-GGAORHGYSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1O ZINC001315477847 1064331796 /nfs/dbraw/zinc/33/17/96/1064331796.db2.gz OGDYKBZQLCYCTA-UHFFFAOYSA-N 1 0 471.646 4.176 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001315479199 1064335723 /nfs/dbraw/zinc/33/57/23/1064335723.db2.gz FYMLZTHKIXONAG-HSZRJFAPSA-N 1 0 483.682 4.241 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC2(SC)CC[NH+](C)CC2)cc1O ZINC001315480560 1064340037 /nfs/dbraw/zinc/34/00/37/1064340037.db2.gz WVDWJPSRYBXVIR-UHFFFAOYSA-N 1 0 487.695 4.108 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC001315483728 1064350578 /nfs/dbraw/zinc/35/05/78/1064350578.db2.gz TZBLYAGRGKKDKW-WOJBJXKFSA-N 1 0 497.663 4.292 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001315488986 1064367442 /nfs/dbraw/zinc/36/74/42/1064367442.db2.gz ZZSDLPQOKMGNFF-UHFFFAOYSA-N 1 0 485.430 4.080 20 0 JIADRO COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1Br ZINC001315490601 1064373488 /nfs/dbraw/zinc/37/34/88/1064373488.db2.gz NHPYDGGQFHJPMG-UHFFFAOYSA-N 1 0 485.430 4.080 20 0 JIADRO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(F)c1 ZINC001315491380 1064376596 /nfs/dbraw/zinc/37/65/96/1064376596.db2.gz MBDPXFPUELEJAK-UHFFFAOYSA-N 1 0 466.605 4.403 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC001315497825 1064391643 /nfs/dbraw/zinc/39/16/43/1064391643.db2.gz CTIJXVUTNKDEJH-UHFFFAOYSA-N 1 0 455.647 4.387 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)cc1Br ZINC001315499802 1064398851 /nfs/dbraw/zinc/39/88/51/1064398851.db2.gz WBTOSGVEXAFZNV-UHFFFAOYSA-N 1 0 478.479 4.464 20 0 JIADRO COc1ccc(Cn2c(CC3CC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1Br ZINC001315502759 1064406756 /nfs/dbraw/zinc/40/67/56/1064406756.db2.gz BPVGFWVUGVFNJC-UHFFFAOYSA-N 1 0 476.463 4.361 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315510560 1064442812 /nfs/dbraw/zinc/44/28/12/1064442812.db2.gz NHRZBOYIBSJZQA-OALUTQOASA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315515169 1064461443 /nfs/dbraw/zinc/46/14/43/1064461443.db2.gz HKSPCWPTOGBKKO-UHFFFAOYSA-N 1 0 486.680 4.069 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315515502 1064462362 /nfs/dbraw/zinc/46/23/62/1064462362.db2.gz OOOTWMAWNXAPOZ-UHFFFAOYSA-N 1 0 486.680 4.069 20 0 JIADRO COc1ccc(OC)c(CCCn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001315516880 1064465942 /nfs/dbraw/zinc/46/59/42/1064465942.db2.gz LNUAQTSNNSJCRF-UHFFFAOYSA-N 1 0 480.657 4.244 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001315519349 1064477321 /nfs/dbraw/zinc/47/73/21/1064477321.db2.gz NSKRTBYFUSSLEJ-LJQANCHMSA-N 1 0 453.587 4.243 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCC3)CC2)cc1 ZINC001315524114 1064496924 /nfs/dbraw/zinc/49/69/24/1064496924.db2.gz SWRPLXUCTWCZDL-UHFFFAOYSA-N 1 0 455.647 4.409 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(C)C)n2CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC001315527163 1064504053 /nfs/dbraw/zinc/50/40/53/1064504053.db2.gz OYPUTUCBINDVLU-UHFFFAOYSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315528131 1064506316 /nfs/dbraw/zinc/50/63/16/1064506316.db2.gz GUORZCHAWDISPN-VIZSFHNOSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001315528049 1064506380 /nfs/dbraw/zinc/50/63/80/1064506380.db2.gz DZCKACWCGOYJBU-UEXGIBASSA-N 1 0 471.627 4.092 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2ccsc2)cc1 ZINC001315530328 1064513810 /nfs/dbraw/zinc/51/38/10/1064513810.db2.gz DXMOFYMKHJUSTM-UHFFFAOYSA-N 1 0 469.655 4.481 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(SC)CCC2)cc1 ZINC001315533643 1064521574 /nfs/dbraw/zinc/52/15/74/1064521574.db2.gz LOAQWMSTHFXFMO-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001315541250 1064538646 /nfs/dbraw/zinc/53/86/46/1064538646.db2.gz AGWVBNUNSRJQOH-MUUNZHRXSA-N 1 0 499.700 4.226 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@H](C)c2nccs2)[NH+](C)C)c1 ZINC001315546144 1064553095 /nfs/dbraw/zinc/55/30/95/1064553095.db2.gz GAFAHRWRSQOWLP-LAUBAEHRSA-N 1 0 465.627 4.281 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001315546495 1064553872 /nfs/dbraw/zinc/55/38/72/1064553872.db2.gz VSPOVUMVARFDPD-JOCHJYFZSA-N 1 0 468.690 4.199 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)c1 ZINC001315546664 1064554715 /nfs/dbraw/zinc/55/47/15/1064554715.db2.gz WYEMGTMKRZIZLZ-KWOQKUFVSA-N 1 0 455.647 4.320 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(CC(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315549459 1064563717 /nfs/dbraw/zinc/56/37/17/1064563717.db2.gz QFOBWEVBCLKQNA-JOCHJYFZSA-N 1 0 494.606 4.007 20 0 JIADRO COc1cccc([C@H](Cn2c(N3C[C@@H](C)OC(C)(C)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549483 1064564553 /nfs/dbraw/zinc/56/45/53/1064564553.db2.gz QQXKIVDKEPDSAN-KNQAVFIVSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001315549711 1064564931 /nfs/dbraw/zinc/56/49/31/1064564931.db2.gz SDAPYSDOMDOSDR-UHFFFAOYSA-N 1 0 484.670 4.244 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001315550241 1064566802 /nfs/dbraw/zinc/56/68/02/1064566802.db2.gz UNPWNEXWKHXKDL-FQEVSTJZSA-N 1 0 494.587 4.478 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CCCC(F)(F)F)c1 ZINC001315551239 1064568362 /nfs/dbraw/zinc/56/83/62/1064568362.db2.gz HSNTXWBSIPHVOP-UHFFFAOYSA-N 1 0 491.562 4.094 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001315552896 1064569619 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COc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001315568690 1064604606 /nfs/dbraw/zinc/60/46/06/1064604606.db2.gz AAZCODGPKAIODM-XQBPLPMBSA-N 1 0 477.600 4.038 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315570831 1064614376 /nfs/dbraw/zinc/61/43/76/1064614376.db2.gz LKRKHDKZGOVSGL-MZKRTTBSSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315570834 1064614499 /nfs/dbraw/zinc/61/44/99/1064614499.db2.gz LKRKHDKZGOVSGL-VIZSFHNOSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(CC(C)C)n3CC3([NH+](C)C)CCOCC3)CC2)c1 ZINC001315571705 1064617331 /nfs/dbraw/zinc/61/73/31/1064617331.db2.gz DSJDMAILWSYSEK-UHFFFAOYSA-N 1 0 467.658 4.280 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CCO2)c1 ZINC001315572035 1064618148 /nfs/dbraw/zinc/61/81/48/1064618148.db2.gz GXJVPCRUYRNUQH-URXFXBBRSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001315572422 1064619841 /nfs/dbraw/zinc/61/98/41/1064619841.db2.gz URHRAWLGHAHEPT-DNQXCXABSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315572947 1064622598 /nfs/dbraw/zinc/62/25/98/1064622598.db2.gz WPYKBRPCIJGVRW-URXFXBBRSA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315573325 1064623572 /nfs/dbraw/zinc/62/35/72/1064623572.db2.gz ZECXOVAXCREIMT-REWPJTCUSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)c1 ZINC001315574227 1064627925 /nfs/dbraw/zinc/62/79/25/1064627925.db2.gz YLRVLPMTCBDTKG-UHFFFAOYSA-N 1 0 480.701 4.368 20 0 JIADRO COc1cccc(CCn2c(N3CC[NH+](CCc4cccs4)CC3)nnc2C(C)(C)C)c1 ZINC001315574684 1064628889 /nfs/dbraw/zinc/62/88/89/1064628889.db2.gz LWJLHDDGTKYQTB-UHFFFAOYSA-N 1 0 453.656 4.253 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315577387 1064636771 /nfs/dbraw/zinc/63/67/71/1064636771.db2.gz AISTVLDECXPWSH-NRFANRHFSA-N 1 0 462.642 4.419 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315586639 1064666817 /nfs/dbraw/zinc/66/68/17/1064666817.db2.gz BCUHDWGBFYOHDV-SZPZYZBQSA-N 1 0 454.663 4.105 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H](C)c2ccco2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315591287 1064680476 /nfs/dbraw/zinc/68/04/76/1064680476.db2.gz KQZZXEKIGGCNKF-SLFFLAALSA-N 1 0 453.587 4.243 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315596231 1064696505 /nfs/dbraw/zinc/69/65/05/1064696505.db2.gz IITWMLXNZZLRGQ-LQWHRVPQSA-N 1 0 481.563 4.374 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315599444 1064704918 /nfs/dbraw/zinc/70/49/18/1064704918.db2.gz YKCQVIQYJLTALN-CUNXSJBXSA-N 1 0 485.673 4.237 20 0 JIADRO 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COc1ccccc1Cc1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001315623439 1064761283 /nfs/dbraw/zinc/76/12/83/1064761283.db2.gz YMJOWVFTJGUIKG-UHFFFAOYSA-N 1 0 481.645 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315623619 1064761988 /nfs/dbraw/zinc/76/19/88/1064761988.db2.gz AIONCJAXKXLOST-BWKNWUBXSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCOC(C)C ZINC001315625705 1064767675 /nfs/dbraw/zinc/76/76/75/1064767675.db2.gz BNRULZZUYAIBLS-DHIUTWEWSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315628059 1064774208 /nfs/dbraw/zinc/77/42/08/1064774208.db2.gz SHJGZRQAVLUENN-LVXARBLLSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccsc1Br ZINC001315629129 1064777286 /nfs/dbraw/zinc/77/72/86/1064777286.db2.gz JHUYNXZBOGQCKR-UHFFFAOYSA-N 1 0 490.471 4.280 20 0 JIADRO 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COc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315643724 1064810327 /nfs/dbraw/zinc/81/03/27/1064810327.db2.gz JZSHAJMSOCRFPC-UHFFFAOYSA-N 1 0 468.671 4.247 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315643636 1064810392 /nfs/dbraw/zinc/81/03/92/1064810392.db2.gz QDHBCAQVAOACIK-QHCPKHFHSA-N 1 0 468.690 4.322 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2scnc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315647020 1064820461 /nfs/dbraw/zinc/82/04/61/1064820461.db2.gz ISWFZGDOWAHPRU-FQEVSTJZSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315649601 1064826867 /nfs/dbraw/zinc/82/68/67/1064826867.db2.gz TUIGMMYQXLGNIX-NRFANRHFSA-N 1 0 455.647 4.265 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001315650458 1064828732 /nfs/dbraw/zinc/82/87/32/1064828732.db2.gz QEZRPCNPPJBVAE-NHCUHLMSSA-N 1 0 455.647 4.364 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315651126 1064831220 /nfs/dbraw/zinc/83/12/20/1064831220.db2.gz SUZSYWDLOFZVSK-OFNKIYASSA-N 1 0 471.646 4.164 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315651214 1064831305 /nfs/dbraw/zinc/83/13/05/1064831305.db2.gz VMEIOURZABLHMK-GOSISDBHSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315656267 1064846867 /nfs/dbraw/zinc/84/68/67/1064846867.db2.gz PMMXLEZVGRHVES-SFTDATJTSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCOC(F)(F)F ZINC001315658133 1064851183 /nfs/dbraw/zinc/85/11/83/1064851183.db2.gz XNRIVTWILYKJQI-SFHVURJKSA-N 1 0 497.562 4.103 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001315663835 1064872322 /nfs/dbraw/zinc/87/23/22/1064872322.db2.gz DWQSHVOKTXXLCH-IBVKSMDESA-N 1 0 487.714 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCOC(C)C ZINC001315667664 1064888396 /nfs/dbraw/zinc/88/83/96/1064888396.db2.gz NCODFMZLGRMKTE-HXUWFJFHSA-N 1 0 459.660 4.069 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315690780 1064946724 /nfs/dbraw/zinc/94/67/24/1064946724.db2.gz GUWVIUOWZBOIAR-UXHICEINSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001315691295 1064947766 /nfs/dbraw/zinc/94/77/66/1064947766.db2.gz ILTHJFZRTLKNBN-ISHFTEKXSA-N 1 0 492.064 4.186 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001315698714 1064962605 /nfs/dbraw/zinc/96/26/05/1064962605.db2.gz XPYXGJAJXAIFBF-VQIMIIECSA-N 1 0 492.393 4.358 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001315702758 1064966979 /nfs/dbraw/zinc/96/69/79/1064966979.db2.gz FLDAYWPQUKFBHE-UHFFFAOYSA-N 1 0 478.641 4.053 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001315703117 1064967663 /nfs/dbraw/zinc/96/76/63/1064967663.db2.gz AOJCHSSBZUKXLN-NRFANRHFSA-N 1 0 485.673 4.059 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCN(c3ccccc3Cl)CC2)CC1 ZINC001315703413 1064968126 /nfs/dbraw/zinc/96/81/26/1064968126.db2.gz AXZKLKFPHFEXFE-UHFFFAOYSA-N 1 0 475.081 4.271 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001315703277 1064968297 /nfs/dbraw/zinc/96/82/97/1064968297.db2.gz IWHNCPPUJJWSJB-UHFFFAOYSA-N 1 0 455.647 4.024 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001315704175 1064970085 /nfs/dbraw/zinc/97/00/85/1064970085.db2.gz NZXHUPLNOFDRPX-FGZHOGPDSA-N 1 0 455.647 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001315704592 1064972005 /nfs/dbraw/zinc/97/20/05/1064972005.db2.gz HNOYLRDHTPPUON-UHFFFAOYSA-N 1 0 476.984 4.251 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCCC2(C)C)CC1 ZINC001315705561 1064974869 /nfs/dbraw/zinc/97/48/69/1064974869.db2.gz QAGAUSRWRMUSFC-UHFFFAOYSA-N 1 0 461.601 4.415 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001315706143 1064975015 /nfs/dbraw/zinc/97/50/15/1064975015.db2.gz RDZJQHUJUSAISR-UHFFFAOYSA-N 1 0 451.659 4.499 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001315705528 1064975035 /nfs/dbraw/zinc/97/50/35/1064975035.db2.gz PCHLZBKRGFRMND-NRFANRHFSA-N 1 0 487.714 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cscn2)CC1 ZINC001315706797 1064979414 /nfs/dbraw/zinc/97/94/14/1064979414.db2.gz XZWUEDLNPPDKPX-UHFFFAOYSA-N 1 0 490.624 4.129 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCCC2)C1 ZINC001315707071 1064980164 /nfs/dbraw/zinc/98/01/64/1064980164.db2.gz YCAPRYALODPGNC-QFIPXVFZSA-N 1 0 455.647 4.390 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001315707441 1064981254 /nfs/dbraw/zinc/98/12/54/1064981254.db2.gz YNPUFVLZYNPLOX-FQEVSTJZSA-N 1 0 476.065 4.493 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C(=O)NC(C)C)nnc3N(C)[C@@H](C)c3ccccc3)CCCC2)CC1 ZINC001315707989 1064982701 /nfs/dbraw/zinc/98/27/01/1064982701.db2.gz BKGYQNYLCYOUAA-NRFANRHFSA-N 1 0 482.673 4.037 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)Cc3ccc(Br)o3)CCCC2)CC1 ZINC001315708008 1064982799 /nfs/dbraw/zinc/98/27/99/1064982799.db2.gz BVDXBCVJMFCDNC-UHFFFAOYSA-N 1 0 466.424 4.002 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)C(C)C)CC[C@@H]1C ZINC001315711231 1064988296 /nfs/dbraw/zinc/98/82/96/1064988296.db2.gz AGHXRQYYMHLDKR-WAOWUJCRSA-N 1 0 450.027 4.273 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001315712674 1064995614 /nfs/dbraw/zinc/99/56/14/1064995614.db2.gz LNVPCJYFUXGNKT-XLIONFOSSA-N 1 0 493.494 4.265 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[C@@H]1C ZINC001315713865 1065000921 /nfs/dbraw/zinc/00/09/21/1065000921.db2.gz QEXFZDYRHJGVPO-BBTUJRGHSA-N 1 0 493.494 4.172 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001315714862 1065003380 /nfs/dbraw/zinc/00/33/80/1065003380.db2.gz QVDHNQOOCRCCHY-WOIUINJBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001315714857 1065003482 /nfs/dbraw/zinc/00/34/82/1065003482.db2.gz QVDHNQOOCRCCHY-NNMXDRDESA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCCC2)CC[C@@H]1C ZINC001315716648 1065006985 /nfs/dbraw/zinc/00/69/85/1065006985.db2.gz LAVNXDWRKAZNAZ-RXVVDRJESA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)CC1(C)C ZINC001315717250 1065008673 /nfs/dbraw/zinc/00/86/73/1065008673.db2.gz OLXZGLDPSONMRX-KUHUBIRLSA-N 1 0 480.426 4.191 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1(C)C ZINC001315719015 1065012639 /nfs/dbraw/zinc/01/26/39/1065012639.db2.gz ZGFZBKLJZVJHKQ-NMVJMZGASA-N 1 0 499.700 4.397 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CC[C@@H]1C ZINC001315719911 1065014387 /nfs/dbraw/zinc/01/43/87/1065014387.db2.gz UTOBGFVXJLJAEI-HOTGVXAUSA-N 1 0 470.481 4.361 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CC[NH+](C)CC2)CC[C@H]1C ZINC001315724437 1065020400 /nfs/dbraw/zinc/02/04/00/1065020400.db2.gz LIRGKSAHXDUCRN-WIYYLYMNSA-N 1 0 478.106 4.211 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)[NH+](C)C)CC1(C)C ZINC001315733529 1065033082 /nfs/dbraw/zinc/03/30/82/1065033082.db2.gz SPXJSGHYRMSBHI-WIYYLYMNSA-N 1 0 464.054 4.063 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)CC[C@@H]1C ZINC001315733537 1065033111 /nfs/dbraw/zinc/03/31/11/1065033111.db2.gz SRBZEJIHZLHSQK-ODGPQVTHSA-N 1 0 452.647 4.119 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001315738264 1065042966 /nfs/dbraw/zinc/04/29/66/1065042966.db2.gz XZRXNNCESDPCMT-AGDMDRQQSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001315739091 1065045431 /nfs/dbraw/zinc/04/54/31/1065045431.db2.gz AUDBFDBCGRYESJ-GSPCLOLRSA-N 1 0 461.695 4.324 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@H]1C ZINC001315739592 1065046862 /nfs/dbraw/zinc/04/68/62/1065046862.db2.gz BVAPTLHKBHJUGB-YUMYIRISSA-N 1 0 461.695 4.180 20 0 JIADRO CO[C@H]1COCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315740523 1065047898 /nfs/dbraw/zinc/04/78/98/1065047898.db2.gz ZCEJZRKHBPUMKO-VWNXMTODSA-N 1 0 490.092 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001315742111 1065051222 /nfs/dbraw/zinc/05/12/22/1065051222.db2.gz NCYQXUNDWLBUNR-JTHBVZDNSA-N 1 0 457.688 4.472 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001315745135 1065055019 /nfs/dbraw/zinc/05/50/19/1065055019.db2.gz WLOCQIQKSYFGFK-QFIPXVFZSA-N 1 0 459.610 4.122 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[C@@H]1C ZINC001315746368 1065056285 /nfs/dbraw/zinc/05/62/85/1065056285.db2.gz ZUGMJFVIURUVPJ-LHGONGGSSA-N 1 0 461.695 4.322 20 0 JIADRO COCC(C)(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315755688 1065060473 /nfs/dbraw/zinc/06/04/73/1065060473.db2.gz DIHQUFWEWDBQAF-QHCPKHFHSA-N 1 0 496.700 4.068 20 0 JIADRO COCC(C)(C)CCCn1c(-c2cccn2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001315758749 1065065190 /nfs/dbraw/zinc/06/51/90/1065065190.db2.gz MZJKBMKSIQZIPT-JOCHJYFZSA-N 1 0 464.658 4.447 20 0 JIADRO COCC(C)(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001315760175 1065069254 /nfs/dbraw/zinc/06/92/54/1065069254.db2.gz AQFCXFHMZAAPEY-HSZRJFAPSA-N 1 0 455.647 4.213 20 0 JIADRO COCC(C)(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315761348 1065073713 /nfs/dbraw/zinc/07/37/13/1065073713.db2.gz YCQSPJYFMLBIOO-UHFFFAOYSA-N 1 0 481.483 4.409 20 0 JIADRO COCC(C)(C)CCCn1c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C ZINC001315761880 1065074825 /nfs/dbraw/zinc/07/48/25/1065074825.db2.gz VYQLIMWLCVVJHE-FGZHOGPDSA-N 1 0 462.727 4.023 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315782339 1065113964 /nfs/dbraw/zinc/11/39/64/1065113964.db2.gz PZBBKSZAHNYFDN-GBESFXJTSA-N 1 0 494.055 4.346 20 0 JIADRO COC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001315795639 1065141686 /nfs/dbraw/zinc/14/16/86/1065141686.db2.gz KZEZYWCWTIFQHV-OAQYLSRUSA-N 1 0 480.657 4.021 20 0 JIADRO COC[C@H](F)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001315810705 1065156422 /nfs/dbraw/zinc/15/64/22/1065156422.db2.gz AJDYGBWUJQKWTP-FUHWJXTLSA-N 1 0 498.416 4.143 20 0 JIADRO COC[C@H](F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001315822746 1065174858 /nfs/dbraw/zinc/17/48/58/1065174858.db2.gz BIRQOBPNMURWBU-QZTJIDSGSA-N 1 0 486.419 4.213 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315833097 1065201596 /nfs/dbraw/zinc/20/15/96/1065201596.db2.gz PHQMFRBGNOYOGT-UHFFFAOYSA-N 1 0 454.663 4.171 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315834445 1065207396 /nfs/dbraw/zinc/20/73/96/1065207396.db2.gz CPBOWYLYAPJFOU-FQEVSTJZSA-N 1 0 460.692 4.007 20 0 JIADRO COCC1(CCn2c(Cc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)CCCC1 ZINC001315838756 1065217733 /nfs/dbraw/zinc/21/77/33/1065217733.db2.gz BLTPCXDXMMZEHE-UHFFFAOYSA-N 1 0 457.638 4.383 20 0 JIADRO COCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001315845299 1065235293 /nfs/dbraw/zinc/23/52/93/1065235293.db2.gz ULGYTJKCPMEBSG-UHFFFAOYSA-N 1 0 493.494 4.411 20 0 JIADRO COCC1(Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCCCC1 ZINC001315846415 1065237492 /nfs/dbraw/zinc/23/74/92/1065237492.db2.gz OOEGXQDKERGATB-UHFFFAOYSA-N 1 0 454.663 4.494 20 0 JIADRO COCC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CCC1 ZINC001315852358 1065251592 /nfs/dbraw/zinc/25/15/92/1065251592.db2.gz PTWOFDVWUQYXQC-UHFFFAOYSA-N 1 0 455.647 4.257 20 0 JIADRO COCc1nc(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cs1 ZINC001315870545 1065295271 /nfs/dbraw/zinc/29/52/71/1065295271.db2.gz KDWIZYSDTYJBKE-UHFFFAOYSA-N 1 0 472.634 4.294 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315878597 1065312819 /nfs/dbraw/zinc/31/28/19/1065312819.db2.gz IRHSRYBDFALGJQ-LADGPHEKSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315879078 1065313685 /nfs/dbraw/zinc/31/36/85/1065313685.db2.gz JQQKNZHAOVRMPV-QPPBQGQZSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001315885341 1065331419 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1065460426 /nfs/dbraw/zinc/46/04/26/1065460426.db2.gz HCTFSMRLPNUTNH-HSALFYBXSA-N 1 0 476.065 4.207 20 0 JIADRO COC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001315936920 1065467201 /nfs/dbraw/zinc/46/72/01/1065467201.db2.gz NJYBYUJEVYVEAA-QHAWAJNXSA-N 1 0 476.065 4.208 20 0 JIADRO COC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001315946792 1065480388 /nfs/dbraw/zinc/48/03/88/1065480388.db2.gz CMVITIUYIGWULI-ZRBLBEILSA-N 1 0 487.714 4.383 20 0 JIADRO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC001315953990 1065494710 /nfs/dbraw/zinc/49/47/10/1065494710.db2.gz MTHWUVFOSPGUEI-OYDLWJJNSA-N 1 0 499.681 4.078 20 0 JIADRO COCCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001315959162 1065510154 /nfs/dbraw/zinc/51/01/54/1065510154.db2.gz LAZSKHVWNABBSZ-UHFFFAOYSA-N 1 0 454.594 4.187 20 0 JIADRO COCCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001315959364 1065510657 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COCCO[C@@H](C)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316164950 1065833152 /nfs/dbraw/zinc/83/31/52/1065833152.db2.gz IJBUVXNMXQALOR-BDTNDASRSA-N 1 0 487.714 4.367 20 0 JIADRO COCCO[C@H](C)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316164953 1065833203 /nfs/dbraw/zinc/83/32/03/1065833203.db2.gz IJBUVXNMXQALOR-BHIFYINESA-N 1 0 487.714 4.367 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001316172599 1065845903 /nfs/dbraw/zinc/84/59/03/1065845903.db2.gz AOVSJUJXLAVWTK-FGZHOGPDSA-N 1 0 455.647 4.179 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316172771 1065846438 /nfs/dbraw/zinc/84/64/38/1065846438.db2.gz LXVLNUIHEJIYOB-WMZOPIPTSA-N 1 0 498.491 4.246 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316175509 1065851838 /nfs/dbraw/zinc/85/18/38/1065851838.db2.gz BUMSIIWQXAAZHH-YVHKJVDXSA-N 1 0 474.477 4.412 20 0 JIADRO 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COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1ccc(F)cc1F ZINC001316193079 1065885024 /nfs/dbraw/zinc/88/50/24/1065885024.db2.gz FVPZRPPFEQVBTD-NJDAHSKKSA-N 1 0 491.627 4.419 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1ccccc1C ZINC001316193140 1065885944 /nfs/dbraw/zinc/88/59/44/1065885944.db2.gz GNBWSTCXFUHOEU-RPWUZVMVSA-N 1 0 469.674 4.451 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316194074 1065887330 /nfs/dbraw/zinc/88/73/30/1065887330.db2.gz YDGJYDDBTZTBKI-LADGPHEKSA-N 1 0 485.673 4.010 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001316198005 1065894169 /nfs/dbraw/zinc/89/41/69/1065894169.db2.gz KOWIKJGQXJAVPY-FQEVSTJZSA-N 1 0 498.697 4.485 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCCCCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001316198510 1065895323 /nfs/dbraw/zinc/89/53/23/1065895323.db2.gz JOONUQOWNIYRRF-OAQYLSRUSA-N 1 0 465.708 4.134 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316212187 1065917806 /nfs/dbraw/zinc/91/78/06/1065917806.db2.gz VZWCIZAVCVHIBK-RCZVLFRGSA-N 1 0 499.700 4.288 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(C)CCCC1 ZINC001316212400 1065918302 /nfs/dbraw/zinc/91/83/02/1065918302.db2.gz HBTFKJVSBQNXJJ-VXKWHMMOSA-N 1 0 455.647 4.293 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316218395 1065929462 /nfs/dbraw/zinc/92/94/62/1065929462.db2.gz CHUKVOBOOFIZBN-CHNZDPDMSA-N 1 0 499.700 4.399 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316232734 1065960249 /nfs/dbraw/zinc/96/02/49/1065960249.db2.gz FEFSKIJUCXHHAW-XZOQPEGZSA-N 1 0 455.647 4.006 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316233033 1065961258 /nfs/dbraw/zinc/96/12/58/1065961258.db2.gz GQCMWVCMHAKKMP-SFHLNBCPSA-N 1 0 494.055 4.490 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001316235407 1065967345 /nfs/dbraw/zinc/96/73/45/1065967345.db2.gz XEHWTCHOXIAEBV-SFTDATJTSA-N 1 0 459.635 4.028 20 0 JIADRO COCCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001316237259 1065971633 /nfs/dbraw/zinc/97/16/33/1065971633.db2.gz ISRPWSCVFAKIEO-FQEVSTJZSA-N 1 0 476.065 4.352 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001316240136 1065978182 /nfs/dbraw/zinc/97/81/82/1065978182.db2.gz WLBWEQMBCOQITI-UXHICEINSA-N 1 0 476.046 4.205 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001316240272 1065979040 /nfs/dbraw/zinc/97/90/40/1065979040.db2.gz GPKPPBUDFMVKSO-QUCCMNQESA-N 1 0 480.028 4.101 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)SC ZINC001316270004 1066013324 /nfs/dbraw/zinc/01/33/24/1066013324.db2.gz HLUDHYVYRFCXEP-ZRBLBEILSA-N 1 0 487.714 4.245 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316270902 1066015442 /nfs/dbraw/zinc/01/54/42/1066015442.db2.gz ZKTZTUWADKHMTL-FKVLARQCSA-N 1 0 495.590 4.301 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC(C)C ZINC001316270876 1066015617 /nfs/dbraw/zinc/01/56/17/1066015617.db2.gz OMFTYTRUKJSLPM-KAMZKSLDSA-N 1 0 455.647 4.147 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316271710 1066017704 /nfs/dbraw/zinc/01/77/04/1066017704.db2.gz KWXMKGQXUVHNOM-AHNRGXKQSA-N 1 0 491.627 4.427 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001316273793 1066022031 /nfs/dbraw/zinc/02/20/31/1066022031.db2.gz RDQDINSLOZMMMP-SFLYRZDNSA-N 1 0 455.647 4.464 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316282550 1066037595 /nfs/dbraw/zinc/03/75/95/1066037595.db2.gz RHMCALZLEBNYMN-KGSLCBSSSA-N 1 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ZSGPJVDTMSXQQX-GGLGADRISA-N 1 0 491.721 4.298 20 0 JIADRO COC[C@H]1[C@@H]2CN(c3nnc(-c4cc(F)ccc4Br)n3CCC[N@H+](C)C(C)C)CC[C@H]12 ZINC001316302370 1066062433 /nfs/dbraw/zinc/06/24/33/1066062433.db2.gz UADUPSVFGPMFKF-DFQSSKMNSA-N 1 0 494.453 4.296 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316302693 1066062917 /nfs/dbraw/zinc/06/29/17/1066062917.db2.gz WDWQVHNOOTZDOK-SPHOGXRMSA-N 1 0 493.762 4.336 20 0 JIADRO CON(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001316304803 1066065558 /nfs/dbraw/zinc/06/55/58/1066065558.db2.gz RQZDSMQQICZLKE-UHFFFAOYSA-N 1 0 472.634 4.084 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001316312502 1066068447 /nfs/dbraw/zinc/06/84/47/1066068447.db2.gz OAOBPCGNEUOMQC-MRXNPFEDSA-N 1 0 468.465 4.116 20 0 JIADRO CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316314069 1066070174 /nfs/dbraw/zinc/07/01/74/1066070174.db2.gz QNLVYHPPLJHMHG-CWKRKGSWSA-N 1 0 455.647 4.495 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001316315566 1066072068 /nfs/dbraw/zinc/07/20/68/1066072068.db2.gz PWOOCQODCWEKQB-VQIMIIECSA-N 1 0 494.434 4.436 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001316318332 1066073902 /nfs/dbraw/zinc/07/39/02/1066073902.db2.gz HLLHNMPRQREZOM-BXXSPATCSA-N 1 0 455.647 4.033 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316322641 1066078175 /nfs/dbraw/zinc/07/81/75/1066078175.db2.gz QLQLRQYZEYKNTN-DHJUGAMNSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316324932 1066081943 /nfs/dbraw/zinc/08/19/43/1066081943.db2.gz PMRDASUTVUOQHJ-RXVVDRJESA-N 1 0 463.573 4.284 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316324972 1066082031 /nfs/dbraw/zinc/08/20/31/1066082031.db2.gz RUKFVJBSEAUGGC-WMZOPIPTSA-N 1 0 480.426 4.192 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1OC ZINC001316329166 1066084903 /nfs/dbraw/zinc/08/49/03/1066084903.db2.gz OZRPBZRDZZCFQN-CATZXFIYSA-N 1 0 499.700 4.395 20 0 JIADRO CS(=O)(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001316339477 1066093518 /nfs/dbraw/zinc/09/35/18/1066093518.db2.gz BJGCATAFZPVWPR-UHFFFAOYSA-N 1 0 494.105 4.268 20 0 JIADRO C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001316361920 1066098442 /nfs/dbraw/zinc/09/84/42/1066098442.db2.gz FIBLGNFCCGFUCO-MNAQKMTRSA-N 1 0 463.736 4.260 20 0 JIADRO C[S@@](=O)C1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001316367546 1066111082 /nfs/dbraw/zinc/11/10/82/1066111082.db2.gz VRQARHFHQSKBBL-MGBGTMOVSA-N 1 0 494.105 4.122 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001316368264 1066112842 /nfs/dbraw/zinc/11/28/42/1066112842.db2.gz XVGQIKYXBGKEJZ-UHFFFAOYSA-N 1 0 474.078 4.186 20 0 JIADRO CSC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001316373768 1066129369 /nfs/dbraw/zinc/12/93/69/1066129369.db2.gz XZOUJTXRRIYNDT-UHFFFAOYSA-N 1 0 475.678 4.231 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001316377534 1066143313 /nfs/dbraw/zinc/14/33/13/1066143313.db2.gz YYYNSYSYLGPRLF-GUDVDZBRSA-N 1 0 495.112 4.484 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384309 1066153383 /nfs/dbraw/zinc/15/33/83/1066153383.db2.gz SRRIXPNCACXWQG-RTWAWAEBSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCCCC1 ZINC001316387855 1066159637 /nfs/dbraw/zinc/15/96/37/1066159637.db2.gz RTDJTLRNXRYXDG-OAQYLSRUSA-N 1 0 456.704 4.163 20 0 JIADRO CS[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC001316396517 1066173561 /nfs/dbraw/zinc/17/35/61/1066173561.db2.gz KIHPNQLSDOJRJK-XMMPIXPASA-N 1 0 493.725 4.376 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CCCC2)CC[NH+](C)CC1 ZINC001316401662 1066179830 /nfs/dbraw/zinc/17/98/30/1066179830.db2.gz RRTNDMVBBLJGBT-UHFFFAOYSA-N 1 0 495.535 4.500 20 0 JIADRO CSC1(Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC[NH+](C)CC1 ZINC001316404708 1066186160 /nfs/dbraw/zinc/18/61/60/1066186160.db2.gz PBXSBQBADDFZBP-UHFFFAOYSA-N 1 0 498.741 4.164 20 0 JIADRO CSC1(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001316405329 1066187801 /nfs/dbraw/zinc/18/78/01/1066187801.db2.gz KDICDLRFVDKNLS-GOSISDBHSA-N 1 0 483.604 4.265 20 0 JIADRO CSC1(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC[NH+](C)CC1 ZINC001316405906 1066188935 /nfs/dbraw/zinc/18/89/35/1066188935.db2.gz IKPJLAUJGQDLLZ-UHFFFAOYSA-N 1 0 483.686 4.292 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCOCC1 ZINC001316406918 1066189952 /nfs/dbraw/zinc/18/99/52/1066189952.db2.gz ITNLRVCINHKPHB-QFIPXVFZSA-N 1 0 457.688 4.100 20 0 JIADRO CSC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC(Cl)=C(Cl)C2)CC[NH+](C)CC1 ZINC001316406998 1066190587 /nfs/dbraw/zinc/19/05/87/1066190587.db2.gz WBPUDBRAHKSCLT-QGZVFWFLSA-N 1 0 460.475 4.246 20 0 JIADRO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(F)(F)F)CC[NH+](C)CC1 ZINC001316410466 1066198572 /nfs/dbraw/zinc/19/85/72/1066198572.db2.gz VRGRWNXHHCBGOS-UHFFFAOYSA-N 1 0 477.984 4.336 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2F)CC[NH+](C)CC1 ZINC001316410736 1066199341 /nfs/dbraw/zinc/19/93/41/1066199341.db2.gz CRLLUELKAFYVED-UHFFFAOYSA-N 1 0 474.675 4.237 20 0 JIADRO CSc1cc(Cn2c(COc3cccc(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC001316416691 1066215531 /nfs/dbraw/zinc/21/55/31/1066215531.db2.gz NGMQNZYSJRPFBL-UHFFFAOYSA-N 1 0 466.655 4.251 20 0 JIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001324501756 1066221520 /nfs/dbraw/zinc/22/15/20/1066221520.db2.gz GWGCNMUTJFNAPT-GOSISDBHSA-N 1 0 471.374 4.416 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001316419600 1066222653 /nfs/dbraw/zinc/22/26/53/1066222653.db2.gz JGIPUKYPBRRSPX-UHFFFAOYSA-N 1 0 468.671 4.231 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316420750 1066225634 /nfs/dbraw/zinc/22/56/34/1066225634.db2.gz WSSFWUUADGNPKJ-FQEVSTJZSA-N 1 0 484.695 4.237 20 0 JIADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)c2ccncc2)cc1 ZINC001475113416 1066225737 /nfs/dbraw/zinc/22/57/37/1066225737.db2.gz GVTRHWREZRIOFF-IZZNHLLZSA-N 1 0 463.647 4.255 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001324875340 1066231752 /nfs/dbraw/zinc/23/17/52/1066231752.db2.gz ZGSQASQNMWRSNC-FMGHJNRGSA-N 1 0 491.632 4.193 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 ZINC001325194022 1066239152 /nfs/dbraw/zinc/23/91/52/1066239152.db2.gz OAHKSQXNKVDUEV-UHFFFAOYSA-N 1 0 462.619 4.455 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316424762 1066240251 /nfs/dbraw/zinc/24/02/51/1066240251.db2.gz WTKQMJUCORGDOL-DYESRHJHSA-N 1 0 467.108 4.153 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CC(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001316425188 1066241679 /nfs/dbraw/zinc/24/16/79/1066241679.db2.gz FRSUYJKHDWUUIT-XMMPIXPASA-N 1 0 484.758 4.406 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316426532 1066246719 /nfs/dbraw/zinc/24/67/19/1066246719.db2.gz JCZNBZJFZJSOJX-MOPGFXCFSA-N 1 0 464.079 4.289 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427024 1066249635 /nfs/dbraw/zinc/24/96/35/1066249635.db2.gz FEPUNBULTNRAED-GOTSBHOMSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427339 1066251139 /nfs/dbraw/zinc/25/11/39/1066251139.db2.gz INLJLGGBTUYNNS-GOTSBHOMSA-N 1 0 468.646 4.428 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 ZINC001325466894 1066252142 /nfs/dbraw/zinc/25/21/42/1066252142.db2.gz AYUACPWQFJKXCV-OAQYLSRUSA-N 1 0 479.650 4.095 20 0 JIADRO O=C(CC[NH+]1CCC(Nc2ccccc2Cl)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001325497246 1066252170 /nfs/dbraw/zinc/25/21/70/1066252170.db2.gz UEPFDMVQBDWATF-UHFFFAOYSA-N 1 0 491.057 4.030 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427870 1066253950 /nfs/dbraw/zinc/25/39/50/1066253950.db2.gz LIJAUQQEEIKYLB-XZOQPEGZSA-N 1 0 468.646 4.428 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492499700 1066259787 /nfs/dbraw/zinc/25/97/87/1066259787.db2.gz VAOBIVMZPPTWJJ-RIPCNWKXSA-N 1 0 480.682 4.143 20 0 JIADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001316430929 1066267503 /nfs/dbraw/zinc/26/75/03/1066267503.db2.gz QIDFMAZWOVPBOQ-PWRODBHTSA-N 1 0 479.735 4.029 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)[NH+](C)C ZINC001316436800 1066289949 /nfs/dbraw/zinc/28/99/49/1066289949.db2.gz OFOZETQOQFVXFC-NVXWUHKLSA-N 1 0 452.466 4.298 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001316437911 1066291709 /nfs/dbraw/zinc/29/17/09/1066291709.db2.gz SHERSNSNGKXJCE-RBUKOAKNSA-N 1 0 482.069 4.306 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001316438950 1066293977 /nfs/dbraw/zinc/29/39/77/1066293977.db2.gz KLZPLNZPVBETEH-QHCPKHFHSA-N 1 0 456.704 4.354 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC001326379868 1066294383 /nfs/dbraw/zinc/29/43/83/1066294383.db2.gz IUWXANMASDIGEJ-UHFFFAOYSA-N 1 0 481.394 4.318 20 0 JIADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326470363 1066298733 /nfs/dbraw/zinc/29/87/33/1066298733.db2.gz JBCNMXKMYZOEDS-QFIPXVFZSA-N 1 0 487.442 4.256 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492502495 1066304678 /nfs/dbraw/zinc/30/46/78/1066304678.db2.gz YHBQLICOBDDKKB-DEOSSOPVSA-N 1 0 483.060 4.338 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001316443096 1066307179 /nfs/dbraw/zinc/30/71/79/1066307179.db2.gz XEYKHLZDGYRDCC-IBGZPJMESA-N 1 0 450.052 4.328 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC001327056898 1066310052 /nfs/dbraw/zinc/31/00/52/1066310052.db2.gz QTMYCCPIRAKPBR-GOTSBHOMSA-N 1 0 454.615 4.147 20 0 JIADRO O[C@H](C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)COc1ccc(Br)cc1 ZINC001327997402 1066321123 /nfs/dbraw/zinc/32/11/23/1066321123.db2.gz RSCOVNXMLKPHOX-DENIHFKCSA-N 1 0 456.384 4.101 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CCCCC[NH+]2CCCC2)n1 ZINC001492506715 1066328437 /nfs/dbraw/zinc/32/84/37/1066328437.db2.gz MFWHURQEIQTMQZ-REWPJTCUSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492509057 1066336066 /nfs/dbraw/zinc/33/60/66/1066336066.db2.gz GNYAIFXMPDHTCK-JBUCUFAESA-N 1 0 494.709 4.297 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCOc2cc(Cl)ccc2Cl)CC1)C(C)C ZINC001329553674 1066340678 /nfs/dbraw/zinc/34/06/78/1066340678.db2.gz BJKSNGBOYKNSAI-UHFFFAOYSA-N 1 0 472.457 4.236 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(O)(c4ccccc4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492511305 1066344633 /nfs/dbraw/zinc/34/46/33/1066344633.db2.gz USGHQXALFWCDSE-HSZRJFAPSA-N 1 0 462.642 4.113 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492511327 1066345062 /nfs/dbraw/zinc/34/50/62/1066345062.db2.gz VEKUOXNTMLRIHJ-OYRHEFFESA-N 1 0 484.689 4.320 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCOCC(F)F)n1 ZINC001492511887 1066348399 /nfs/dbraw/zinc/34/83/99/1066348399.db2.gz NMYUACCZIXDWHH-UHFFFAOYSA-N 1 0 462.589 4.023 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001492512072 1066349378 /nfs/dbraw/zinc/34/93/78/1066349378.db2.gz VCWRHEIGNXJUDG-HXUWFJFHSA-N 1 0 499.704 4.366 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492513335 1066352984 /nfs/dbraw/zinc/35/29/84/1066352984.db2.gz AIMYPVIWRZWESF-VXKWHMMOSA-N 1 0 481.689 4.044 20 0 JIADRO CSCCCCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001316461316 1066357078 /nfs/dbraw/zinc/35/70/78/1066357078.db2.gz PWSIXOYVEMQREH-OAQYLSRUSA-N 1 0 450.656 4.118 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCOc2ccc(F)cc2)n1 ZINC001492515480 1066360616 /nfs/dbraw/zinc/36/06/16/1066360616.db2.gz AVNVIAXMPFRGMJ-UHFFFAOYSA-N 1 0 452.578 4.177 20 0 JIADRO O=C(C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc(Br)cc1 ZINC001331717016 1066362233 /nfs/dbraw/zinc/36/22/33/1066362233.db2.gz XNEIXSWVPFXSTH-UHFFFAOYSA-N 1 0 453.262 4.382 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001316466854 1066370981 /nfs/dbraw/zinc/37/09/81/1066370981.db2.gz VGLFZIOUIHTSHU-HXUWFJFHSA-N 1 0 484.533 4.334 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492518087 1066375330 /nfs/dbraw/zinc/37/53/30/1066375330.db2.gz RBXXNUCLOZVOIW-UHFFFAOYSA-N 1 0 461.658 4.322 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316470703 1066376928 /nfs/dbraw/zinc/37/69/28/1066376928.db2.gz NJPWMZIIVFCXLK-XZOQPEGZSA-N 1 0 457.688 4.274 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)Oc2ccccc2F)n1 ZINC001492518714 1066380451 /nfs/dbraw/zinc/38/04/51/1066380451.db2.gz OHNMJVXHRMPUEZ-FQEVSTJZSA-N 1 0 452.578 4.033 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492518705 1066380790 /nfs/dbraw/zinc/38/07/90/1066380790.db2.gz OAMJSPUQJNTBRJ-IEBWSBKVSA-N 1 0 493.603 4.086 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492519689 1066383228 /nfs/dbraw/zinc/38/32/28/1066383228.db2.gz SYNOZDGXODYTSM-RCZVLFRGSA-N 1 0 462.642 4.420 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492519690 1066383296 /nfs/dbraw/zinc/38/32/96/1066383296.db2.gz SYNOZDGXODYTSM-RDGATRHJSA-N 1 0 462.642 4.420 20 0 JIADRO COc1ccc(-c2cc(NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)ccc2OC)cc1 ZINC001333730242 1066389773 /nfs/dbraw/zinc/38/97/73/1066389773.db2.gz QCPOFKJXXNVMGT-UHFFFAOYSA-N 1 0 453.583 4.337 20 0 JIADRO Cc1ccc(-c2nnc(N3CCC(O)(Cc4cccc(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001492524493 1066398584 /nfs/dbraw/zinc/39/85/84/1066398584.db2.gz PGTJUQYKXRICMS-UHFFFAOYSA-N 1 0 465.642 4.317 20 0 JIADRO O=C(Nc1ccccc1)N1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC001335345329 1066410899 /nfs/dbraw/zinc/41/08/99/1066410899.db2.gz KPFKYCMUUXLRLC-AREMUKBSSA-N 1 0 459.590 4.440 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001316488745 1066417221 /nfs/dbraw/zinc/41/72/21/1066417221.db2.gz UWBYEFOPDIBBPU-UKRRQHHQSA-N 1 0 475.357 4.156 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489361 1066420450 /nfs/dbraw/zinc/42/04/50/1066420450.db2.gz MWHBWPXWLOOZDO-QOJCHSLYSA-N 1 0 469.527 4.249 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1C(F)(F)F ZINC001316490300 1066423966 /nfs/dbraw/zinc/42/39/66/1066423966.db2.gz PZGNBKOJURWPED-VQIMIIECSA-N 1 0 453.940 4.419 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCCN(C)c1ccccc1 ZINC001316492211 1066428968 /nfs/dbraw/zinc/42/89/68/1066428968.db2.gz FIDCTIPWCJPYDM-HSZRJFAPSA-N 1 0 482.717 4.473 20 0 JIADRO O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001336268496 1066434316 /nfs/dbraw/zinc/43/43/16/1066434316.db2.gz AXKRSQJEMCNGFF-HNNXBMFYSA-N 1 0 458.937 4.269 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br ZINC001316497065 1066448554 /nfs/dbraw/zinc/44/85/54/1066448554.db2.gz OKVLCDFRDSUSHK-SJLPKXTDSA-N 1 0 484.389 4.218 20 0 JIADRO Cc1cccc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492530941 1066449057 /nfs/dbraw/zinc/44/90/57/1066449057.db2.gz NXPNDYDXCAXPQB-UHFFFAOYSA-N 1 0 453.034 4.389 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316498777 1066455634 /nfs/dbraw/zinc/45/56/34/1066455634.db2.gz DMMGODHLURCWGI-FKPGQJDZSA-N 1 0 465.564 4.342 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(OC)cc(Br)c1OC ZINC001337165266 1066462051 /nfs/dbraw/zinc/46/20/51/1066462051.db2.gz RYKAWZHSUAEDMJ-UHFFFAOYSA-N 1 0 475.387 4.410 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001316507350 1066483745 /nfs/dbraw/zinc/48/37/45/1066483745.db2.gz KMUXAVTZVCUORV-PXNSSMCTSA-N 1 0 474.005 4.410 20 0 JIADRO FC(F)(F)[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001316511643 1066497810 /nfs/dbraw/zinc/49/78/10/1066497810.db2.gz QXLKHXFPVCQWJE-FQEVSTJZSA-N 1 0 457.585 4.435 20 0 JIADRO FC(F)(F)SCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316516317 1066512827 /nfs/dbraw/zinc/51/28/27/1066512827.db2.gz BHFJANPPRZDQOP-OAHLLOKOSA-N 1 0 475.968 4.010 20 0 JIADRO CC[NH+](CC)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccc(Br)c1 ZINC001337811634 1066513230 /nfs/dbraw/zinc/51/32/30/1066513230.db2.gz IOKNCXRRJOUDFC-UHFFFAOYSA-N 1 0 474.321 4.005 20 0 JIADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccc(Br)s1 ZINC001338046400 1066526890 /nfs/dbraw/zinc/52/68/90/1066526890.db2.gz OUAVPZUJXGOCRZ-MRXNPFEDSA-N 1 0 465.413 4.409 20 0 JIADRO O=C(Nc1cc(F)ccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC001338046302 1066527124 /nfs/dbraw/zinc/52/71/24/1066527124.db2.gz KRNCYSSIDVDXFZ-SFHVURJKSA-N 1 0 460.347 4.151 20 0 JIADRO Fc1ccc(Br)c(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[NH+]2CCCC2)c1 ZINC001316521438 1066527550 /nfs/dbraw/zinc/52/75/50/1066527550.db2.gz HBQNIDCCSZSXBM-CQSZACIVSA-N 1 0 472.353 4.424 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCOCC(F)F ZINC001316522245 1066529716 /nfs/dbraw/zinc/52/97/16/1066529716.db2.gz NNTIQTLPQGNLTE-MRXNPFEDSA-N 1 0 471.955 4.332 20 0 JIADRO Cc1cc(N[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001338142294 1066533787 /nfs/dbraw/zinc/53/37/87/1066533787.db2.gz UTKSYLNPVKNXGK-LJQANCHMSA-N 1 0 477.634 4.500 20 0 JIADRO F[C@@H]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001316526417 1066542101 /nfs/dbraw/zinc/54/21/01/1066542101.db2.gz JMCQVUDONLBWDS-VQTJNVASSA-N 1 0 475.575 4.240 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001338310951 1066545201 /nfs/dbraw/zinc/54/52/01/1066545201.db2.gz ONKXDFIRDLBTNI-UHFFFAOYSA-N 1 0 450.608 4.151 20 0 JIADRO COc1cc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)ccc1OCc1ccc(Br)cc1 ZINC001338751779 1066570939 /nfs/dbraw/zinc/57/09/39/1066570939.db2.gz RAFMLACKBRZTFC-ZDUSSCGKSA-N 1 0 475.305 4.193 20 0 JIADRO COc1cccc([C@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)[NH+]2CCCC2)c1 ZINC001339700095 1066578444 /nfs/dbraw/zinc/57/84/44/1066578444.db2.gz AJMZILMRXFGYQB-RBUKOAKNSA-N 1 0 450.004 4.330 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC001492534937 1066582272 /nfs/dbraw/zinc/58/22/72/1066582272.db2.gz UENVRAYQJUVGSV-UHFFFAOYSA-N 1 0 470.662 4.337 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316588304 1066614542 /nfs/dbraw/zinc/61/45/42/1066614542.db2.gz HPXJISRKKGJVIZ-LJQANCHMSA-N 1 0 469.939 4.144 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001492538851 1066620790 /nfs/dbraw/zinc/62/07/90/1066620790.db2.gz UBAPGIRQHDNISK-UHFFFAOYSA-N 1 0 486.064 4.453 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492540549 1066636502 /nfs/dbraw/zinc/63/65/02/1066636502.db2.gz YIZIINSFSRVSOC-DHIUTWEWSA-N 1 0 455.647 4.149 20 0 JIADRO O=C(CC[NH+]1CCC(Nc2ccccc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001345017669 1066637939 /nfs/dbraw/zinc/63/79/39/1066637939.db2.gz ODHDLOGYWJDIEI-UHFFFAOYSA-N 1 0 491.057 4.030 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492541776 1066650874 /nfs/dbraw/zinc/65/08/74/1066650874.db2.gz PFPOHCVFOLDZKJ-JOCHJYFZSA-N 1 0 455.647 4.006 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001346198805 1066656668 /nfs/dbraw/zinc/65/66/68/1066656668.db2.gz YGCQYPXVUUIZNN-INIZCTEOSA-N 1 0 478.996 4.199 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492542798 1066661719 /nfs/dbraw/zinc/66/17/19/1066661719.db2.gz TYDQEEGXUYQPDD-FBBABVLZSA-N 1 0 493.530 4.217 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492543023 1066662352 /nfs/dbraw/zinc/66/23/52/1066662352.db2.gz YPFGBYIGTNPEMD-UHFFFAOYSA-N 1 0 469.674 4.273 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)c1 ZINC001492543854 1066675283 /nfs/dbraw/zinc/67/52/83/1066675283.db2.gz ZVGTXQFACOJJNK-JOCHJYFZSA-N 1 0 498.672 4.097 20 0 JIADRO Cc1ccc(N(CCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC001317801633 1066697667 /nfs/dbraw/zinc/69/76/67/1066697667.db2.gz UBTLDBVHAFEOAP-UHFFFAOYSA-N 1 0 495.645 4.296 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)cc1 ZINC001317834526 1066719604 /nfs/dbraw/zinc/71/96/04/1066719604.db2.gz APXAYRZGGQOAPU-UHFFFAOYSA-N 1 0 451.636 4.058 20 0 JIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CSc3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001317835392 1066721164 /nfs/dbraw/zinc/72/11/64/1066721164.db2.gz LZXSFXDIKCRXAM-IRXDYDNUSA-N 1 0 463.441 4.467 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c2cccs2)CC1 ZINC001348256583 1066730498 /nfs/dbraw/zinc/73/04/98/1066730498.db2.gz AUPCNJBUHMCTII-MRXNPFEDSA-N 1 0 451.518 4.252 20 0 JIADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001348372160 1066739839 /nfs/dbraw/zinc/73/98/39/1066739839.db2.gz RPTVQQRVSGFHGP-XMMPIXPASA-N 1 0 490.570 4.126 20 0 JIADRO CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC001317872346 1066746216 /nfs/dbraw/zinc/74/62/16/1066746216.db2.gz UEYFSQHYHAUBPA-XMMPIXPASA-N 1 0 493.652 4.021 20 0 JIADRO O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001348475209 1066747414 /nfs/dbraw/zinc/74/74/14/1066747414.db2.gz AYJPAWRDHQXWTA-UHFFFAOYSA-N 1 0 484.021 4.456 20 0 JIADRO CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476127 1066748479 /nfs/dbraw/zinc/74/84/79/1066748479.db2.gz LWNKQZOIFDRCBF-AVRDEDQJSA-N 1 0 463.603 4.309 20 0 JIADRO COc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1OCC(F)(F)F ZINC001317878952 1066749929 /nfs/dbraw/zinc/74/99/29/1066749929.db2.gz SCCZFZWWDWSQLZ-UHFFFAOYSA-N 1 0 465.516 4.362 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546032 1066767206 /nfs/dbraw/zinc/76/72/06/1066767206.db2.gz RBOWCFRAJDUPCX-DHIUTWEWSA-N 1 0 469.674 4.396 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317910846 1066780523 /nfs/dbraw/zinc/78/05/23/1066780523.db2.gz QDGGVWGBAUTGTN-SFHVURJKSA-N 1 0 476.543 4.167 20 0 JIADRO COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)s2)cc1 ZINC001348933911 1066790932 /nfs/dbraw/zinc/79/09/32/1066790932.db2.gz LPOGWEBDPFTIHD-UHFFFAOYSA-N 1 0 450.564 4.013 20 0 JIADRO O[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)COc1cccc(Br)c1 ZINC001348968024 1066794613 /nfs/dbraw/zinc/79/46/13/1066794613.db2.gz VYYAZBRKXKESRP-SIKLNZKXSA-N 1 0 456.384 4.101 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC001349230725 1066822460 /nfs/dbraw/zinc/82/24/60/1066822460.db2.gz XBICOBCCBZSYLZ-YXAHYSCSSA-N 1 0 451.592 4.462 20 0 JIADRO COC(=O)c1ccc(-c2csc(NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001349319083 1066830344 /nfs/dbraw/zinc/83/03/44/1066830344.db2.gz VRMWQCKUZIHAJG-MLPAPPSSSA-N 1 0 451.548 4.189 20 0 JIADRO Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1N1CC[NH+](C)CC1 ZINC001318004926 1066846431 /nfs/dbraw/zinc/84/64/31/1066846431.db2.gz COBDGTGSKKTJAQ-QFIPXVFZSA-N 1 0 473.415 4.115 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cccc(Br)n2)c1 ZINC001492546742 1066852582 /nfs/dbraw/zinc/85/25/82/1066852582.db2.gz AFQMCGOGKTXLDD-UHFFFAOYSA-N 1 0 499.457 4.149 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)C1 ZINC001318047161 1066870056 /nfs/dbraw/zinc/87/00/56/1066870056.db2.gz XGCWSMPDMMLKNU-JOCHJYFZSA-N 1 0 493.677 4.403 20 0 JIADRO CCNC(=O)COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001349713198 1066875680 /nfs/dbraw/zinc/87/56/80/1066875680.db2.gz QPIQDIFXKXGQKN-RRPNLBNLSA-N 1 0 471.601 4.364 20 0 JIADRO CCc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)c2c(n1)onc2C(C)C ZINC001349754797 1066881210 /nfs/dbraw/zinc/88/12/10/1066881210.db2.gz LYIICMWBYRVPGA-UHFFFAOYSA-N 1 0 451.571 4.233 20 0 JIADRO O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318065507 1066881491 /nfs/dbraw/zinc/88/14/91/1066881491.db2.gz VJKPJFDAIDKALA-HXUWFJFHSA-N 1 0 455.484 4.263 20 0 JIADRO COc1cccc(N2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001318066683 1066881921 /nfs/dbraw/zinc/88/19/21/1066881921.db2.gz HMGKTSNUHWUTBA-UHFFFAOYSA-N 1 0 478.559 4.456 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001318084006 1066891946 /nfs/dbraw/zinc/89/19/46/1066891946.db2.gz FSFACAFPZOEZLD-GOSISDBHSA-N 1 0 453.587 4.014 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084773 1066892488 /nfs/dbraw/zinc/89/24/88/1066892488.db2.gz VJBBAEWZFWBUGR-CMTYHFORSA-N 1 0 479.621 4.036 20 0 JIADRO O=C(NC1CC1)[C@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001318119490 1066909322 /nfs/dbraw/zinc/90/93/22/1066909322.db2.gz IORAXPWJBQDOPC-DEOSSOPVSA-N 1 0 460.622 4.150 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC001350102225 1066917849 /nfs/dbraw/zinc/91/78/49/1066917849.db2.gz FHIOEHXBVXFZIB-XMMPIXPASA-N 1 0 451.611 4.315 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccnc(OC(F)F)c1 ZINC001350124353 1066921047 /nfs/dbraw/zinc/92/10/47/1066921047.db2.gz ZSSFQQQOJYKKDS-UHFFFAOYSA-N 1 0 452.505 4.253 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492547546 1066931008 /nfs/dbraw/zinc/93/10/08/1066931008.db2.gz BMNZTAFPJKPEII-UKILVPOCSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)CC2)cc1 ZINC001318187477 1066947501 /nfs/dbraw/zinc/94/75/01/1066947501.db2.gz YAABJLUDFVTHOH-UHFFFAOYSA-N 1 0 488.613 4.074 20 0 JIADRO Cc1c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC001350361457 1066947793 /nfs/dbraw/zinc/94/77/93/1066947793.db2.gz AYVQJGINBPXVTG-UHFFFAOYSA-N 1 0 455.400 4.190 20 0 JIADRO CCNC(=O)c1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001350373575 1066949763 /nfs/dbraw/zinc/94/97/63/1066949763.db2.gz KDJDCGIPWOOBPD-GGXMVOPNSA-N 1 0 455.602 4.142 20 0 JIADRO CC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001318211723 1066961429 /nfs/dbraw/zinc/96/14/29/1066961429.db2.gz SDQIQLDZDNTFEP-UHFFFAOYSA-N 1 0 479.046 4.458 20 0 JIADRO CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC001318227698 1066971633 /nfs/dbraw/zinc/97/16/33/1066971633.db2.gz WOMORTIZUWJJTR-UHFFFAOYSA-N 1 0 479.602 4.452 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249100 1066983147 /nfs/dbraw/zinc/98/31/47/1066983147.db2.gz YJSDHGAGUSAEJF-XZOQPEGZSA-N 1 0 460.647 4.410 20 0 JIADRO CCCc1c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001350648791 1066983731 /nfs/dbraw/zinc/98/37/31/1066983731.db2.gz IXPWDMJUAFCXKO-UHFFFAOYSA-N 1 0 458.509 4.304 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001492548126 1066985633 /nfs/dbraw/zinc/98/56/33/1066985633.db2.gz SMLICVGRAQILSP-LADGPHEKSA-N 1 0 455.647 4.291 20 0 JIADRO CCCc1nc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)nn1-c1ccccc1Cl ZINC001350701165 1066990417 /nfs/dbraw/zinc/99/04/17/1066990417.db2.gz ZIEZRDHUQUOOPD-UHFFFAOYSA-N 1 0 452.990 4.267 20 0 JIADRO COc1ccc(C[C@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC001318263590 1066990794 /nfs/dbraw/zinc/99/07/94/1066990794.db2.gz WOAPWHBGJWRXDE-MHZLTWQESA-N 1 0 488.632 4.239 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Nc3ccc(SC(F)(F)F)cc3)c2)C1 ZINC001318322080 1067016199 /nfs/dbraw/zinc/01/61/99/1067016199.db2.gz DJWCIOAWJJFSNP-KRWDZBQOSA-N 1 0 466.529 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001300683402 1067019437 /nfs/dbraw/zinc/01/94/37/1067019437.db2.gz JVYCNFDZYPZRNU-QFIPXVFZSA-N 1 0 473.687 4.172 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1 ZINC001318330361 1067020603 /nfs/dbraw/zinc/02/06/03/1067020603.db2.gz NWCXWMRNTZMYNU-UHFFFAOYSA-N 1 0 450.004 4.087 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1)[NH+]1CCCCC1 ZINC001318335130 1067021684 /nfs/dbraw/zinc/02/16/84/1067021684.db2.gz JZTYKJJHRXLXLH-AOYPEHQESA-N 1 0 476.621 4.380 20 0 JIADRO CN1C(=O)C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001350953916 1067024492 /nfs/dbraw/zinc/02/44/92/1067024492.db2.gz QCQYXMPHFWOSPS-GBXCKJPGSA-N 1 0 457.977 4.301 20 0 JIADRO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318394489 1067037092 /nfs/dbraw/zinc/03/70/92/1067037092.db2.gz KAGCIWRSHXMZPG-GFCCVEGCSA-N 1 0 463.838 4.187 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)CC1 ZINC001318407132 1067039723 /nfs/dbraw/zinc/03/97/23/1067039723.db2.gz XTKUZXUPTZSQOW-UHFFFAOYSA-N 1 0 450.377 4.271 20 0 JIADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1F)c1cccc(OC)c1 ZINC001318420187 1067041821 /nfs/dbraw/zinc/04/18/21/1067041821.db2.gz YBNNLCXOVBFXEE-FQEVSTJZSA-N 1 0 473.408 4.099 20 0 JIADRO COc1ccc(C(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c2ccc(OC)cc2)cc1 ZINC001318435185 1067042883 /nfs/dbraw/zinc/04/28/83/1067042883.db2.gz VXEJSDMHRURVPN-UHFFFAOYSA-N 1 0 488.632 4.040 20 0 JIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318493945 1067048544 /nfs/dbraw/zinc/04/85/44/1067048544.db2.gz HCHRZJGLCUJOSS-UHFFFAOYSA-N 1 0 472.420 4.228 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC001318509285 1067050534 /nfs/dbraw/zinc/05/05/34/1067050534.db2.gz JIIBJNIKZVAERL-FVQHAEBGSA-N 1 0 466.470 4.147 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001300697377 1067055509 /nfs/dbraw/zinc/05/55/09/1067055509.db2.gz RCDQSOSTCMLGGO-NRFANRHFSA-N 1 0 454.663 4.411 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)CC1 ZINC001318621444 1067057355 /nfs/dbraw/zinc/05/73/55/1067057355.db2.gz UDWOFVMLXILPOX-UHFFFAOYSA-N 1 0 464.031 4.396 20 0 JIADRO CCc1ccc([C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(F)c2)cc1 ZINC001319026321 1067064925 /nfs/dbraw/zinc/06/49/25/1067064925.db2.gz VFMUZVKLHSYMOG-SANMLTNESA-N 1 0 461.585 4.124 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001351288026 1067071065 /nfs/dbraw/zinc/07/10/65/1067071065.db2.gz KOVKPSCAAGVPOL-GGAORHGYSA-N 1 0 455.599 4.460 20 0 JIADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001354752607 1067076636 /nfs/dbraw/zinc/07/66/36/1067076636.db2.gz WIUCZKYDQFVURA-JYFHCDHNSA-N 1 0 451.567 4.037 20 0 JIADRO Cc1cccc(C)c1CCn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492486237 1067077801 /nfs/dbraw/zinc/07/78/01/1067077801.db2.gz JJXGPXNUXIFBLC-MHZLTWQESA-N 1 0 469.674 4.099 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001320102985 1067085986 /nfs/dbraw/zinc/08/59/86/1067085986.db2.gz OTYYHWZZUGEKRI-NZQKXSOJSA-N 1 0 490.570 4.220 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(Cc2cc(C)on2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001321004617 1067097357 /nfs/dbraw/zinc/09/73/57/1067097357.db2.gz DMFLAMQLRHHZHE-QFIPXVFZSA-N 1 0 481.563 4.302 20 0 JIADRO C[C@H]1CCCN(C(=O)CCNC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001351522488 1067117602 /nfs/dbraw/zinc/11/76/02/1067117602.db2.gz ZGKJYNXWUCTMKJ-KRWDZBQOSA-N 1 0 457.446 4.105 20 0 JIADRO COC1CCC(CCn2c(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)CC1 ZINC001300722522 1067121339 /nfs/dbraw/zinc/12/13/39/1067121339.db2.gz WRQIPHGOEDLWQZ-WOLZVPSQSA-N 1 0 474.738 4.166 20 0 JIADRO CO[C@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC001351594112 1067137903 /nfs/dbraw/zinc/13/79/03/1067137903.db2.gz KDYPJXZGAVFALJ-IBGZPJMESA-N 1 0 452.780 4.181 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001321474390 1067138971 /nfs/dbraw/zinc/13/89/71/1067138971.db2.gz MATJPTOJKZPWEF-RUZDIDTESA-N 1 0 491.636 4.318 20 0 JIADRO CO[C@H](C[N@@H+]1CCC[C@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001474758260 1067141429 /nfs/dbraw/zinc/14/14/29/1067141429.db2.gz DJBGIYOJUALVSO-PZJWPPBQSA-N 1 0 454.652 4.482 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3ccccc3N3CC[NH+](C)CC3)cn2)c1 ZINC001321563487 1067166471 /nfs/dbraw/zinc/16/64/71/1067166471.db2.gz LOVVWFSYEBSDGN-UHFFFAOYSA-N 1 0 459.594 4.242 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001321620572 1067177506 /nfs/dbraw/zinc/17/75/06/1067177506.db2.gz GLPVENBQQJQKCP-UHFFFAOYSA-N 1 0 455.624 4.488 20 0 JIADRO CC(C)[N@H+](C)[C@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200800999 1067198717 /nfs/dbraw/zinc/19/87/17/1067198717.db2.gz CNBKOFOXTQSGPE-NSHDSACASA-N 1 0 453.219 4.462 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001321776506 1067209389 /nfs/dbraw/zinc/20/93/89/1067209389.db2.gz FHVLFXGCWLCSKF-UHFFFAOYSA-N 1 0 452.562 4.087 20 0 JIADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]21 ZINC001200802695 1067210381 /nfs/dbraw/zinc/21/03/81/1067210381.db2.gz ZRWXMRBOHZGBMW-NOZJJQNGSA-N 1 0 451.203 4.074 20 0 JIADRO CCc1cccc(NC(=O)CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001351832199 1067217955 /nfs/dbraw/zinc/21/79/55/1067217955.db2.gz UKVOVNLUDHJCHY-GGXMVOPNSA-N 1 0 455.602 4.394 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492549433 1067219641 /nfs/dbraw/zinc/21/96/41/1067219641.db2.gz ANHYRECIRNGUFK-FDFHNCONSA-N 1 0 455.647 4.290 20 0 JIADRO CC(C)[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC001354878512 1067236559 /nfs/dbraw/zinc/23/65/59/1067236559.db2.gz TZFLZZDUJDYACF-FGZHOGPDSA-N 1 0 450.465 4.459 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)NCC12CC[NH+](CC1)CC2 ZINC001200807756 1067238945 /nfs/dbraw/zinc/23/89/45/1067238945.db2.gz COXXAVDGQHIBNC-UHFFFAOYSA-N 1 0 451.203 4.123 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)CC1 ZINC001322025467 1067240865 /nfs/dbraw/zinc/24/08/65/1067240865.db2.gz YJNJJSIRHYFRSD-AREMUKBSSA-N 1 0 457.622 4.269 20 0 JIADRO COc1ccc([C@H](CNC(=O)NCc2cc(Cl)c(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC001351925807 1067245609 /nfs/dbraw/zinc/24/56/09/1067245609.db2.gz VZRJVDVFDPQZLH-NRFANRHFSA-N 1 0 461.990 4.392 20 0 JIADRO COCCn1cc(NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)ccc1=O ZINC001322064139 1067245877 /nfs/dbraw/zinc/24/58/77/1067245877.db2.gz SBPLCJGJPXONGM-UHFFFAOYSA-N 1 0 460.578 4.079 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152547 1067258140 /nfs/dbraw/zinc/25/81/40/1067258140.db2.gz ADANBIQQGXGXAZ-NRRYGQPISA-N 1 0 461.606 4.185 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1Cl ZINC001322293350 1067271486 /nfs/dbraw/zinc/27/14/86/1067271486.db2.gz PUQXYUNKDPLKTQ-OFNKIYASSA-N 1 0 457.018 4.327 20 0 JIADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001322303457 1067271933 /nfs/dbraw/zinc/27/19/33/1067271933.db2.gz KCECOKIEDHSRLB-DVYYSZHSSA-N 1 0 467.629 4.114 20 0 JIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001322308421 1067273904 /nfs/dbraw/zinc/27/39/04/1067273904.db2.gz TUIQVLFJIAPJHJ-QHCPKHFHSA-N 1 0 469.593 4.012 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300758911 1067293600 /nfs/dbraw/zinc/29/36/00/1067293600.db2.gz YMMQBRBRMGOAMM-NRFANRHFSA-N 1 0 476.463 4.445 20 0 JIADRO Cc1cccc(C)c1OCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492493288 1067302510 /nfs/dbraw/zinc/30/25/10/1067302510.db2.gz PEVHLFWAAUWKRW-UHFFFAOYSA-N 1 0 469.033 4.467 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCCC2)C1 ZINC001300764064 1067305459 /nfs/dbraw/zinc/30/54/59/1067305459.db2.gz UIGFQUOEONAMHV-GOSISDBHSA-N 1 0 462.436 4.199 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001300764845 1067305908 /nfs/dbraw/zinc/30/59/08/1067305908.db2.gz WVBUXUBVALKYID-MJGOQNOKSA-N 1 0 450.002 4.473 20 0 JIADRO O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001354968014 1067309637 /nfs/dbraw/zinc/30/96/37/1067309637.db2.gz TWPDTBIDGXTOPL-FYWRMAATSA-N 1 0 455.558 4.239 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)c1ccccc1 ZINC001354972476 1067310730 /nfs/dbraw/zinc/31/07/30/1067310730.db2.gz WWRODVUPUWZTKT-QHCPKHFHSA-N 1 0 459.546 4.197 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncc(Br)cc1Br)c1ccccc1 ZINC001354972557 1067310985 /nfs/dbraw/zinc/31/09/85/1067310985.db2.gz YJEZSPUHXVHPGK-INIZCTEOSA-N 1 0 455.194 4.420 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300771076 1067319461 /nfs/dbraw/zinc/31/94/61/1067319461.db2.gz CWDRWVRMAIDXTJ-XMMPIXPASA-N 1 0 457.638 4.381 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492580072 1067320153 /nfs/dbraw/zinc/32/01/53/1067320153.db2.gz VYUYPDOKILJATQ-FYYLOGMGSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001492495424 1067324732 /nfs/dbraw/zinc/32/47/32/1067324732.db2.gz XECQXRHOGMGCQW-KGMZSHBCSA-N 1 0 466.655 4.069 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352288042 1067324862 /nfs/dbraw/zinc/32/48/62/1067324862.db2.gz KGRDMYSUXAHFQI-FCHUYYIVSA-N 1 0 455.624 4.296 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001323723571 1067326391 /nfs/dbraw/zinc/32/63/91/1067326391.db2.gz UIBHSGAAWVQLNY-MHZLTWQESA-N 1 0 486.664 4.210 20 0 JIADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000500871532 1067332861 /nfs/dbraw/zinc/33/28/61/1067332861.db2.gz YIUZZZKGGFVCKB-INIZCTEOSA-N 1 0 498.571 4.185 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001324230865 1067335393 /nfs/dbraw/zinc/33/53/93/1067335393.db2.gz NHDVMJMGWSRYPM-UHFFFAOYSA-N 1 0 455.653 4.148 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001300782053 1067337819 /nfs/dbraw/zinc/33/78/19/1067337819.db2.gz GLVMIFBAWOWIAY-OAQYLSRUSA-N 1 0 462.642 4.469 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492552959 1067340503 /nfs/dbraw/zinc/34/05/03/1067340503.db2.gz FUUMHOIUZALVDO-JTHBVZDNSA-N 1 0 452.647 4.247 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300001785 1067340879 /nfs/dbraw/zinc/34/08/79/1067340879.db2.gz XWEPAWKDIUXPLF-IBGZPJMESA-N 1 0 465.646 4.062 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492498344 1067341742 /nfs/dbraw/zinc/34/17/42/1067341742.db2.gz ZUUVAUHSPUPZTI-IBGZPJMESA-N 1 0 497.594 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001300784572 1067344176 /nfs/dbraw/zinc/34/41/76/1067344176.db2.gz KKQLMEGSGGMCGX-IRLDBZIGSA-N 1 0 485.673 4.149 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001492553253 1067344527 /nfs/dbraw/zinc/34/45/27/1067344527.db2.gz HPBOMJTWMFROLD-UHFFFAOYSA-N 1 0 468.690 4.303 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001300784891 1067344857 /nfs/dbraw/zinc/34/48/57/1067344857.db2.gz GVHVLTZWMHDPNZ-KRWDZBQOSA-N 1 0 482.645 4.005 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001300784991 1067345341 /nfs/dbraw/zinc/34/53/41/1067345341.db2.gz HVBBCKDKQSMQQY-UHFFFAOYSA-N 1 0 484.595 4.068 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300003050 1067345673 /nfs/dbraw/zinc/34/56/73/1067345673.db2.gz YMZJWWYNOVYZOV-HXUWFJFHSA-N 1 0 478.622 4.358 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001300785806 1067347838 /nfs/dbraw/zinc/34/78/38/1067347838.db2.gz NUWXHBXUHRLXJM-QFIPXVFZSA-N 1 0 471.715 4.399 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3C[C@@H](C)O[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC001300786020 1067348160 /nfs/dbraw/zinc/34/81/60/1067348160.db2.gz IIPUOFIEGQLIET-QUCCMNQESA-N 1 0 487.611 4.056 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001300787839 1067352607 /nfs/dbraw/zinc/35/26/07/1067352607.db2.gz VMSKBSASTSTMSN-SFTDATJTSA-N 1 0 487.714 4.385 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(C)c(NC(C)=O)c2C)CC1 ZINC001200009873 1067356205 /nfs/dbraw/zinc/35/62/05/1067356205.db2.gz DVSQYONNZOLEBI-SFHVURJKSA-N 1 0 455.578 4.426 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300010743 1067363678 /nfs/dbraw/zinc/36/36/78/1067363678.db2.gz OLAYBKCRLVQEGF-AZUAARDMSA-N 1 0 485.654 4.190 20 0 JIADRO CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001355056416 1067365584 /nfs/dbraw/zinc/36/55/84/1067365584.db2.gz WFEPIRJIZNFTIP-RTBURBONSA-N 1 0 458.580 4.145 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300012450 1067367063 /nfs/dbraw/zinc/36/70/63/1067367063.db2.gz YCGHDQRUKOBEBN-MRXNPFEDSA-N 1 0 490.368 4.445 20 0 JIADRO O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)Nc1ccn(CCc2ccncc2)n1 ZINC001200861137 1067368595 /nfs/dbraw/zinc/36/85/95/1067368595.db2.gz AWSGRQXTIZQNFB-FQEVSTJZSA-N 1 0 456.953 4.272 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492554797 1067371538 /nfs/dbraw/zinc/37/15/38/1067371538.db2.gz WQIPHPGOAHABFL-ACRUOGEOSA-N 1 0 463.630 4.129 20 0 JIADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001355085439 1067371669 /nfs/dbraw/zinc/37/16/69/1067371669.db2.gz UWTMABOGRONMEE-HDYDNRTBSA-N 1 0 452.686 4.264 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300015184 1067372745 /nfs/dbraw/zinc/37/27/45/1067372745.db2.gz MKOJCEGQYARDIP-SFTDATJTSA-N 1 0 495.672 4.052 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001492554934 1067372908 /nfs/dbraw/zinc/37/29/08/1067372908.db2.gz ZHDZPXKAOPFWLY-ZHRRBRCNSA-N 1 0 490.471 4.342 20 0 JIADRO CC[NH+](CC)CCN(C(=S)NC[C@H]1CCCO1)[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001200025018 1067375170 /nfs/dbraw/zinc/37/51/70/1067375170.db2.gz RNPBYGMTTAOJRH-PKTZIBPZSA-N 1 0 463.688 4.014 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492581280 1067382884 /nfs/dbraw/zinc/38/28/84/1067382884.db2.gz BRIHQVABQPMNPD-XMMPIXPASA-N 1 0 463.674 4.271 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Br)c2)c1 ZINC001355236015 1067393731 /nfs/dbraw/zinc/39/37/31/1067393731.db2.gz VKSATWAXLGVQFI-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300024295 1067393741 /nfs/dbraw/zinc/39/37/41/1067393741.db2.gz ODHOSSICKKJVRM-VQTJNVASSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300024872 1067394988 /nfs/dbraw/zinc/39/49/88/1067394988.db2.gz PGMVTPMIKAWUMZ-KNQAVFIVSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026817 1067399126 /nfs/dbraw/zinc/39/91/26/1067399126.db2.gz FRNQBCGJGFISPS-AZUAARDMSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300031700 1067423095 /nfs/dbraw/zinc/42/30/95/1067423095.db2.gz ACIRUZMDPMXZQQ-JSXRDJHFSA-N 1 0 485.673 4.332 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2nscc2Br)cc1 ZINC001352474465 1067425813 /nfs/dbraw/zinc/42/58/13/1067425813.db2.gz OPRIBKANGKNNDF-UHFFFAOYSA-N 1 0 451.390 4.363 20 0 JIADRO COCC(=O)Nc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001355389236 1067445669 /nfs/dbraw/zinc/44/56/69/1067445669.db2.gz YZBVXLYVEIAOQY-RRPNLBNLSA-N 1 0 471.601 4.112 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001300036790 1067446032 /nfs/dbraw/zinc/44/60/32/1067446032.db2.gz UQPOTZGXSZYHQU-QZTJIDSGSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(C)CCCO2)c(OC)c1 ZINC001300040242 1067461039 /nfs/dbraw/zinc/46/10/39/1067461039.db2.gz JBSXREDLHGAXSR-SANMLTNESA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001300041374 1067470136 /nfs/dbraw/zinc/47/01/36/1067470136.db2.gz QOGCYGHNQJVILN-UHFFFAOYSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300041489 1067471072 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UYQUUDFFWDUBGY-KRWDZBQOSA-N 1 0 458.393 4.483 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300089364 1067641234 /nfs/dbraw/zinc/64/12/34/1067641234.db2.gz QXEZBUHZFVSZNY-DVFHOWMISA-N 1 0 459.610 4.267 20 0 JIADRO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)ccc21 ZINC001200114279 1067658208 /nfs/dbraw/zinc/65/82/08/1067658208.db2.gz VQJHDWRIHLBKLF-HSZRJFAPSA-N 1 0 453.631 4.428 20 0 JIADRO C[N@@H+]1CCN(C(=O)c2cc(I)c(Cl)cc2Cl)C[C@H]1C(C)(C)C ZINC001300097002 1067662640 /nfs/dbraw/zinc/66/26/40/1067662640.db2.gz LFZSCGGIZVTQIW-AWEZNQCLSA-N 1 0 455.167 4.400 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300097267 1067663312 /nfs/dbraw/zinc/66/33/12/1067663312.db2.gz AJCZAUMSVOBXFX-JOCHJYFZSA-N 1 0 499.700 4.461 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)C1 ZINC001200124674 1067690322 /nfs/dbraw/zinc/69/03/22/1067690322.db2.gz ADXCJIRIZWJFBE-KRWDZBQOSA-N 1 0 494.057 4.245 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)OC(F)(F)O4)cc2Cl)CC1 ZINC001356208633 1067691652 /nfs/dbraw/zinc/69/16/52/1067691652.db2.gz QRFRKGHFMMNYOS-UHFFFAOYSA-N 1 0 451.901 4.375 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300112932 1067716609 /nfs/dbraw/zinc/71/66/09/1067716609.db2.gz AEUOWXYJMBCTOE-XMMPIXPASA-N 1 0 499.700 4.028 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300112906 1067716798 /nfs/dbraw/zinc/71/67/98/1067716798.db2.gz FZYXAUUMQAKKSB-VXKWHMMOSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(OC)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300113331 1067718136 /nfs/dbraw/zinc/71/81/36/1067718136.db2.gz DUDYICADIGDKGO-NHCUHLMSSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300113853 1067720196 /nfs/dbraw/zinc/72/01/96/1067720196.db2.gz ICZLUNJISIWCSO-ILBGXUMGSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300115415 1067724547 /nfs/dbraw/zinc/72/45/47/1067724547.db2.gz YWCMLMJHYGMNSK-LADGPHEKSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300117658 1067729068 /nfs/dbraw/zinc/72/90/68/1067729068.db2.gz OGNDRYJMCNNYMI-WIOPSUGQSA-N 1 0 469.674 4.055 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC001356352845 1067732899 /nfs/dbraw/zinc/73/28/99/1067732899.db2.gz PULVBVNDXOMOTF-OALUTQOASA-N 1 0 459.009 4.325 20 0 JIADRO COCCOc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nc2ccccc21 ZINC001356377512 1067738790 /nfs/dbraw/zinc/73/87/90/1067738790.db2.gz HBRWDQYIGKDECG-UHFFFAOYSA-N 1 0 451.592 4.104 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(Br)c1 ZINC001200143428 1067746050 /nfs/dbraw/zinc/74/60/50/1067746050.db2.gz AWPUGPZUPXXQRV-DYESRHJHSA-N 1 0 452.462 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300125993 1067752176 /nfs/dbraw/zinc/75/21/76/1067752176.db2.gz OGYNRLSEJXNRBL-ZRBLBEILSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300126319 1067753288 /nfs/dbraw/zinc/75/32/88/1067753288.db2.gz LPVYVMQRDHDTFE-RJGXRXQPSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300126269 1067753300 /nfs/dbraw/zinc/75/33/00/1067753300.db2.gz QXSAPUPFTPIPSF-ILBGXUMGSA-N 1 0 483.701 4.444 20 0 JIADRO Cc1ccc(NC(=S)N2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)c(Br)c1 ZINC001200147024 1067758001 /nfs/dbraw/zinc/75/80/01/1067758001.db2.gz ZUXDIEQLFGMUNX-RTBURBONSA-N 1 0 475.456 4.133 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(C)(C)C)cc1 ZINC001300127504 1067758721 /nfs/dbraw/zinc/75/87/21/1067758721.db2.gz QNXXJTBFSCCLLQ-QHCPKHFHSA-N 1 0 469.674 4.057 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300127766 1067759645 /nfs/dbraw/zinc/75/96/45/1067759645.db2.gz AQHDNIKTYSGIAH-QPPBQGQZSA-N 1 0 471.715 4.382 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300128238 1067760921 /nfs/dbraw/zinc/76/09/21/1067760921.db2.gz LFPQKHWZMZMVBY-XBLPNDSKSA-N 1 0 457.638 4.377 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300128770 1067762736 /nfs/dbraw/zinc/76/27/36/1067762736.db2.gz VIUQORLNTXMQHK-SIKLNZKXSA-N 1 0 457.688 4.134 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300131278 1067767172 /nfs/dbraw/zinc/76/71/72/1067767172.db2.gz KZOWEHNFUNLGAB-VXKWHMMOSA-N 1 0 494.684 4.249 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300131626 1067768760 /nfs/dbraw/zinc/76/87/60/1067768760.db2.gz PJEPDQCAGCKHCQ-UHFFFAOYSA-N 1 0 463.630 4.077 20 0 JIADRO O=C(N1CCN(c2cccc(Cl)c2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001352868906 1067775695 /nfs/dbraw/zinc/77/56/95/1067775695.db2.gz MJWKZGOTSJWZQI-JOCHJYFZSA-N 1 0 451.920 4.443 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000849055770 1067786233 /nfs/dbraw/zinc/78/62/33/1067786233.db2.gz DZTAUIJRSIFCDQ-GFCCVEGCSA-N 1 0 463.456 4.461 20 0 JIADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849055712 1067786398 /nfs/dbraw/zinc/78/63/98/1067786398.db2.gz AUDMRSXPOLMEAH-CQSZACIVSA-N 1 0 457.427 4.196 20 0 JIADRO COc1ccc([C@@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000849057642 1067788446 /nfs/dbraw/zinc/78/84/46/1067788446.db2.gz RGTAVQUTZZVMGP-MGPUTAFESA-N 1 0 481.424 4.259 20 0 JIADRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849058734 1067789605 /nfs/dbraw/zinc/78/96/05/1067789605.db2.gz QPWMCZYGYWJHRM-UHFFFAOYSA-N 1 0 469.586 4.240 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3F)nc2)c1 ZINC001356613023 1067790171 /nfs/dbraw/zinc/79/01/71/1067790171.db2.gz UWTNOKDWBYOGGS-UHFFFAOYSA-N 1 0 450.514 4.337 20 0 JIADRO COc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1OC(F)F ZINC001300143454 1067797105 /nfs/dbraw/zinc/79/71/05/1067797105.db2.gz HCFHBLGDXHBSBR-UHFFFAOYSA-N 1 0 486.567 4.160 20 0 JIADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000849074776 1067797117 /nfs/dbraw/zinc/79/71/17/1067797117.db2.gz WQHRWHJZFMKBKR-SFHVURJKSA-N 1 0 498.499 4.446 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC000849074254 1067797441 /nfs/dbraw/zinc/79/74/41/1067797441.db2.gz LNUYONPQZNZCOX-UHFFFAOYSA-N 1 0 474.609 4.175 20 0 JIADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC001300145303 1067799159 /nfs/dbraw/zinc/79/91/59/1067799159.db2.gz RIPAYEHVZDUFTR-UHFFFAOYSA-N 1 0 457.622 4.498 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)cc1OC ZINC001357119120 1067806506 /nfs/dbraw/zinc/80/65/06/1067806506.db2.gz UDKIHHZASCUWTF-QFIPXVFZSA-N 1 0 459.974 4.020 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300151207 1067807195 /nfs/dbraw/zinc/80/71/95/1067807195.db2.gz NWEWKDJECBABLN-UHFFFAOYSA-N 1 0 482.717 4.113 20 0 JIADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCc3ccccc3NC(=O)OC(C)(C)C)nc2)C1 ZINC001357143808 1067809894 /nfs/dbraw/zinc/80/98/94/1067809894.db2.gz BDVPNHQHLZRICV-FQEVSTJZSA-N 1 0 453.587 4.140 20 0 JIADRO CC1(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001357185784 1067815633 /nfs/dbraw/zinc/81/56/33/1067815633.db2.gz ULMGJADSQKMJAN-UHFFFAOYSA-N 1 0 456.030 4.165 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1F ZINC001300161995 1067816885 /nfs/dbraw/zinc/81/68/85/1067816885.db2.gz FBCCSWPJHXIWFM-NRFANRHFSA-N 1 0 468.602 4.432 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC001300162373 1067817413 /nfs/dbraw/zinc/81/74/13/1067817413.db2.gz LEHVFTSQGPVDNY-BGYRXZFFSA-N 1 0 466.605 4.492 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)COc3cccc4c3OC(C)(C)C4)cc2)C[C@H](C)O1 ZINC001300163350 1067819850 /nfs/dbraw/zinc/81/98/50/1067819850.db2.gz YOVYPNDLZIQUTA-BGYRXZFFSA-N 1 0 452.595 4.047 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300164263 1067821612 /nfs/dbraw/zinc/82/16/12/1067821612.db2.gz MCJBBWKULKPLCY-NRFANRHFSA-N 1 0 450.631 4.441 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300169197 1067827295 /nfs/dbraw/zinc/82/72/95/1067827295.db2.gz ATTIIOUNTRVDFF-QFIPXVFZSA-N 1 0 471.646 4.438 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)cc1F ZINC001300170003 1067828421 /nfs/dbraw/zinc/82/84/21/1067828421.db2.gz NLZANVQQNMSBBL-QHCPKHFHSA-N 1 0 459.610 4.426 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(OC3CCOCC3)cc2)CC1 ZINC001357275056 1067829173 /nfs/dbraw/zinc/82/91/73/1067829173.db2.gz MGBYFUGBFCVRLL-IBGZPJMESA-N 1 0 455.574 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300172526 1067831856 /nfs/dbraw/zinc/83/18/56/1067831856.db2.gz KUDONCNXUWGMBO-UHFFFAOYSA-N 1 0 457.663 4.401 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC(F)F ZINC001300174628 1067834135 /nfs/dbraw/zinc/83/41/35/1067834135.db2.gz USUKJOJJVAYPGW-IBGZPJMESA-N 1 0 493.599 4.150 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300176711 1067837511 /nfs/dbraw/zinc/83/75/11/1067837511.db2.gz CVABJGNQWHWWCO-QGZVFWFLSA-N 1 0 472.634 4.150 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCC(C)CC2)cc1F ZINC001300177308 1067838189 /nfs/dbraw/zinc/83/81/89/1067838189.db2.gz NFWCCPMDIQUBCV-UHFFFAOYSA-N 1 0 472.634 4.150 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001300179397 1067841744 /nfs/dbraw/zinc/84/17/44/1067841744.db2.gz RUGXITQNMVNYMG-SXSPYAJSSA-N 1 0 455.647 4.324 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)NC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001200205410 1067842597 /nfs/dbraw/zinc/84/25/97/1067842597.db2.gz DEVKRNHPMKAHSB-KRWDZBQOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300180262 1067843254 /nfs/dbraw/zinc/84/32/54/1067843254.db2.gz KIZQGMFNQOJHJJ-NFQMXDRXSA-N 1 0 479.673 4.295 20 0 JIADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001473277441 1067852831 /nfs/dbraw/zinc/85/28/31/1067852831.db2.gz JJQZNKZRVWQCKD-SJLPKXTDSA-N 1 0 455.418 4.430 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2Cl)CC1 ZINC001357553831 1067869219 /nfs/dbraw/zinc/86/92/19/1067869219.db2.gz VODNHSVTJJKESV-HSZRJFAPSA-N 1 0 456.974 4.012 20 0 JIADRO C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578440 1067873671 /nfs/dbraw/zinc/87/36/71/1067873671.db2.gz KGCSFMNKYWPPTB-INIZCTEOSA-N 1 0 455.965 4.122 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001200229613 1067873728 /nfs/dbraw/zinc/87/37/28/1067873728.db2.gz NJTFQNJCUVIESZ-UHFFFAOYSA-N 1 0 461.473 4.300 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC001357603715 1067876318 /nfs/dbraw/zinc/87/63/18/1067876318.db2.gz FUMGKCGRTGXXAB-OAQYLSRUSA-N 1 0 456.587 4.053 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630841 1067879516 /nfs/dbraw/zinc/87/95/16/1067879516.db2.gz KKHGGEUZKUSYBI-YLJYHZDGSA-N 1 0 453.384 4.259 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001357632185 1067879773 /nfs/dbraw/zinc/87/97/73/1067879773.db2.gz UQFKTKFZNSQPCI-PTJQVGQKSA-N 1 0 457.618 4.475 20 0 JIADRO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641689 1067881591 /nfs/dbraw/zinc/88/15/91/1067881591.db2.gz WMTDSXJOJFGQAI-XMXZMMKCSA-N 1 0 453.583 4.390 20 0 JIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001357669809 1067884397 /nfs/dbraw/zinc/88/43/97/1067884397.db2.gz GCPAEIGUMIPXEB-LOSJGSFVSA-N 1 0 456.590 4.464 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1Cl ZINC001300215585 1067885730 /nfs/dbraw/zinc/88/57/30/1067885730.db2.gz CYTWVGMPOZVGGX-OYRHEFFESA-N 1 0 489.108 4.182 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492560085 1067887976 /nfs/dbraw/zinc/88/79/76/1067887976.db2.gz FSAXERIKAHIILW-FYYLOGMGSA-N 1 0 482.673 4.335 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CC2=O)cc1 ZINC001300231157 1067912315 /nfs/dbraw/zinc/91/23/15/1067912315.db2.gz SRYZIQLMFNITSL-DEOSSOPVSA-N 1 0 496.700 4.017 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001200268658 1067912467 /nfs/dbraw/zinc/91/24/67/1067912467.db2.gz VGLYIOIHOYBQKQ-UHFFFAOYSA-N 1 0 494.698 4.201 20 0 JIADRO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001357880669 1067928106 /nfs/dbraw/zinc/92/81/06/1067928106.db2.gz NXWYBLKNLZFNNT-UHFFFAOYSA-N 1 0 459.594 4.345 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300236918 1067930980 /nfs/dbraw/zinc/93/09/80/1067930980.db2.gz BTSPUYFIVDREMZ-IBGZPJMESA-N 1 0 464.054 4.276 20 0 JIADRO COc1ccc(OC)c(CCCn2c(C3CC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001300253008 1068006961 /nfs/dbraw/zinc/00/69/61/1068006961.db2.gz DZLJGQDLTNGPEB-UHFFFAOYSA-N 1 0 455.647 4.364 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cnn1-c1cccc(C)c1 ZINC001358071894 1068009158 /nfs/dbraw/zinc/00/91/58/1068009158.db2.gz DACSEXYXLHIKIF-OAQYLSRUSA-N 1 0 459.594 4.083 20 0 JIADRO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCCCC1 ZINC001358071897 1068009371 /nfs/dbraw/zinc/00/93/71/1068009371.db2.gz DDYULWPYSMISNZ-FQEVSTJZSA-N 1 0 457.615 4.005 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC001358078120 1068012588 /nfs/dbraw/zinc/01/25/88/1068012588.db2.gz RMDBUEHROZDHAK-KRWDZBQOSA-N 1 0 455.965 4.298 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(Br)c2F)CC1 ZINC001358077948 1068012694 /nfs/dbraw/zinc/01/26/94/1068012694.db2.gz PYBWHANIGZZNGP-AWEZNQCLSA-N 1 0 452.343 4.360 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2ccc(C3CC3)nc2C)cc1OC ZINC001358085681 1068016195 /nfs/dbraw/zinc/01/61/95/1068016195.db2.gz KNDZSHZAVCEBSI-UHFFFAOYSA-N 1 0 458.990 4.253 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(Br)c2nccnc2c1 ZINC001358096113 1068018486 /nfs/dbraw/zinc/01/84/86/1068018486.db2.gz YEZHIWYJVXOOFZ-UHFFFAOYSA-N 1 0 457.397 4.236 20 0 JIADRO Cc1cc([C@@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001353320897 1068025405 /nfs/dbraw/zinc/02/54/05/1068025405.db2.gz PQEYWCMKAMBPHG-MSOLQXFVSA-N 1 0 455.043 4.482 20 0 JIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 ZINC001358145474 1068030455 /nfs/dbraw/zinc/03/04/55/1068030455.db2.gz VMRMIUHNZZDSTJ-OAQYLSRUSA-N 1 0 458.400 4.421 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300263750 1068030727 /nfs/dbraw/zinc/03/07/27/1068030727.db2.gz OFROCNFNMNJCEM-WOJBJXKFSA-N 1 0 482.629 4.247 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300263751 1068031263 /nfs/dbraw/zinc/03/12/63/1068031263.db2.gz OHWHJTYZZTUPER-MOPGFXCFSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300264525 1068033184 /nfs/dbraw/zinc/03/31/84/1068033184.db2.gz HTMRGCJEWADWPH-HDICACEKSA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300265350 1068035049 /nfs/dbraw/zinc/03/50/49/1068035049.db2.gz SOXJATZMJPTKGA-OWWUNANSSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300269375 1068045397 /nfs/dbraw/zinc/04/53/97/1068045397.db2.gz MCNOGWOLHZYFJB-CZYKHXBRSA-N 1 0 455.647 4.468 20 0 JIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001200314567 1068053777 /nfs/dbraw/zinc/05/37/77/1068053777.db2.gz NKYSMERDBFVZCH-SANMLTNESA-N 1 0 452.599 4.080 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360432 1068059824 /nfs/dbraw/zinc/05/98/24/1068059824.db2.gz OWOOQLOZOXIASH-SFTDATJTSA-N 1 0 457.384 4.129 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001492564461 1068066007 /nfs/dbraw/zinc/06/60/07/1068066007.db2.gz IGIWXWZBBWCGAU-JOCHJYFZSA-N 1 0 482.673 4.479 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280122 1068069927 /nfs/dbraw/zinc/06/99/27/1068069927.db2.gz BRCREJXSSYLJIS-UGKGYDQZSA-N 1 0 473.687 4.318 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c(C)n1Cc1ccco1 ZINC001300280254 1068070087 /nfs/dbraw/zinc/07/00/87/1068070087.db2.gz MRPFFSODCRSINQ-UHFFFAOYSA-N 1 0 450.583 4.015 20 0 JIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[C@H](C)C1 ZINC001353376761 1068070261 /nfs/dbraw/zinc/07/02/61/1068070261.db2.gz RJEHEQSLQCPSJF-FOIQADDNSA-N 1 0 453.414 4.354 20 0 JIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)[C@@H](C)C1 ZINC001353377290 1068071012 /nfs/dbraw/zinc/07/10/12/1068071012.db2.gz UYGYOXQXFGEWKN-FPOVZHCZSA-N 1 0 452.624 4.468 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H](NC(C)=O)c3ccc(F)cc3F)ccc21 ZINC001358390883 1068080349 /nfs/dbraw/zinc/08/03/49/1068080349.db2.gz PSNOJIAUNGVOLB-QHCPKHFHSA-N 1 0 456.537 4.467 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300284567 1068080979 /nfs/dbraw/zinc/08/09/79/1068080979.db2.gz QQYNEHRVWOJADL-QFQXNSOFSA-N 1 0 471.646 4.136 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492565610 1068081356 /nfs/dbraw/zinc/08/13/56/1068081356.db2.gz HCOKCKNLJZDJFR-UNMCSNQZSA-N 1 0 468.646 4.087 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCCCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300290719 1068095331 /nfs/dbraw/zinc/09/53/31/1068095331.db2.gz MCUGMYYZQJTPHQ-QFIPXVFZSA-N 1 0 471.646 4.137 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001200332038 1068096986 /nfs/dbraw/zinc/09/69/86/1068096986.db2.gz AIZLKJSORWYKTA-UHFFFAOYSA-N 1 0 474.667 4.078 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2C[C@@H](SC)C(C)(C)C)cc1 ZINC001300294429 1068108717 /nfs/dbraw/zinc/10/87/17/1068108717.db2.gz IEJYLWXYNZZRJC-JOCHJYFZSA-N 1 0 473.687 4.175 20 0 JIADRO Cc1ccc(NC(=S)N2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 ZINC001200336201 1068117445 /nfs/dbraw/zinc/11/74/45/1068117445.db2.gz OLMQHUBBDBXEHI-MRXNPFEDSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300297967 1068133429 /nfs/dbraw/zinc/13/34/29/1068133429.db2.gz SAXGFWDWTCFGCX-WZOHSFFVSA-N 1 0 473.687 4.318 20 0 JIADRO CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001473433821 1068160106 /nfs/dbraw/zinc/16/01/06/1068160106.db2.gz ZBAXVJCDKKIXPP-UHFFFAOYSA-N 1 0 451.567 4.246 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccco2)s1 ZINC000510230009 1068160525 /nfs/dbraw/zinc/16/05/25/1068160525.db2.gz JVNQVVHGNRKVHL-UHFFFAOYSA-N 1 0 474.590 4.442 20 0 JIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cnc(-c4ccccc4F)s3)cc2)CC1 ZINC001353482732 1068190239 /nfs/dbraw/zinc/19/02/39/1068190239.db2.gz BGJYLGWWPOIPCB-UHFFFAOYSA-N 1 0 453.543 4.417 20 0 JIADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001473551912 1068246462 /nfs/dbraw/zinc/24/64/62/1068246462.db2.gz SGVBXNOPPRUVAV-NMIHRBCNSA-N 1 0 481.678 4.274 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)[NH+]1CCC(C)CC1 ZINC001353514592 1068252470 /nfs/dbraw/zinc/25/24/70/1068252470.db2.gz HWMLCNYEQXZPAE-GOSISDBHSA-N 1 0 453.450 4.242 20 0 JIADRO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000514539141 1068255446 /nfs/dbraw/zinc/25/54/46/1068255446.db2.gz DGBJMMQJKPQBPO-UHFFFAOYSA-N 1 0 458.588 4.151 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccn4C)n3CCCCSC)CC2)c1 ZINC001300331651 1068276084 /nfs/dbraw/zinc/27/60/84/1068276084.db2.gz FBNYILMHVOCKMI-FQEVSTJZSA-N 1 0 468.671 4.319 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1nnc(Cc2ccccc2)s1)[NH+]1CCCCC1 ZINC000613115796 1068281767 /nfs/dbraw/zinc/28/17/67/1068281767.db2.gz KHAHBWYRKLPIHS-FQEVSTJZSA-N 1 0 451.596 4.486 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3Cc3ccc(OC(C)(C)C)nc3)CC2)c1 ZINC001300332354 1068282711 /nfs/dbraw/zinc/28/27/11/1068282711.db2.gz LAKYNMLWRSCWFU-IBGZPJMESA-N 1 0 464.614 4.099 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC001200371898 1068285482 /nfs/dbraw/zinc/28/54/82/1068285482.db2.gz FXMJUMXGGGXPJI-VWLOTQADSA-N 1 0 452.599 4.411 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2)CC1 ZINC001353531792 1068286430 /nfs/dbraw/zinc/28/64/30/1068286430.db2.gz QSTQSRKECFVRKS-UHFFFAOYSA-N 1 0 455.864 4.188 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+](C)C)c1 ZINC001300334093 1068297906 /nfs/dbraw/zinc/29/79/06/1068297906.db2.gz FBLLWTGGPVAYIA-UTKZUKDTSA-N 1 0 485.032 4.309 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 ZINC000518165691 1068303419 /nfs/dbraw/zinc/30/34/19/1068303419.db2.gz PQBXRGBBFYMTEM-UHFFFAOYSA-N 1 0 465.623 4.480 20 0 JIADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001353541372 1068307298 /nfs/dbraw/zinc/30/72/98/1068307298.db2.gz SGGYKKYMSFCJNK-RUZDIDTESA-N 1 0 483.616 4.114 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccco2)[NH+](C)C)c1 ZINC001300335640 1068308122 /nfs/dbraw/zinc/30/81/22/1068308122.db2.gz UXHIWCCBHUOMQB-WIYYLYMNSA-N 1 0 489.580 4.027 20 0 JIADRO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001353545679 1068312598 /nfs/dbraw/zinc/31/25/98/1068312598.db2.gz ALAAYQZEGUVDEE-PMACEKPBSA-N 1 0 457.640 4.068 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300338259 1068315676 /nfs/dbraw/zinc/31/56/76/1068315676.db2.gz ANRAJDVDZKXQIB-YYDVJCTNSA-N 1 0 484.595 4.303 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)N(C)C3CC[NH+](CCc4ccccn4)CC3)s2)cc1 ZINC000519449709 1068316207 /nfs/dbraw/zinc/31/62/07/1068316207.db2.gz JRKKMMSTHUGLFQ-UHFFFAOYSA-N 1 0 450.612 4.003 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3cccnc3)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300338993 1068318395 /nfs/dbraw/zinc/31/83/95/1068318395.db2.gz GAILHQRGRXGXKZ-JOCHJYFZSA-N 1 0 486.542 4.274 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)[NH+](C)C)c1 ZINC001300340130 1068321385 /nfs/dbraw/zinc/32/13/85/1068321385.db2.gz KZXXUQHVHFMWSZ-HYFFOGBASA-N 1 0 486.711 4.276 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC(NC(=O)C(C)C)CC2)[NH+](C)C)c1 ZINC001300340658 1068324451 /nfs/dbraw/zinc/32/44/51/1068324451.db2.gz NERJEEYLXUJOJV-VWLOTQADSA-N 1 0 496.700 4.063 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300340730 1068324613 /nfs/dbraw/zinc/32/46/13/1068324613.db2.gz OCEOPKDNPGLUSH-PKTZIBPZSA-N 1 0 468.602 4.072 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300341526 1068328344 /nfs/dbraw/zinc/32/83/44/1068328344.db2.gz RYZDXDMGIKPDPW-AZUAARDMSA-N 1 0 467.536 4.016 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1nnc(Cc2ccccc2F)s1)[NH+]1CCCC1 ZINC000520855671 1068328592 /nfs/dbraw/zinc/32/85/92/1068328592.db2.gz XBDSVCRLZKWRGO-IBGZPJMESA-N 1 0 455.559 4.235 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001300341796 1068329438 /nfs/dbraw/zinc/32/94/38/1068329438.db2.gz SLLPCOQGWRTZQT-FCHUYYIVSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300342287 1068330356 /nfs/dbraw/zinc/33/03/56/1068330356.db2.gz VTAYUIZVKIMWIR-DEOSSOPVSA-N 1 0 496.700 4.116 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC2([NH+](C)C)CCC2)c1 ZINC001300344263 1068337780 /nfs/dbraw/zinc/33/77/80/1068337780.db2.gz ZZGQRHKKJGBAES-UHFFFAOYSA-N 1 0 474.403 4.430 20 0 JIADRO CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2C1 ZINC001200384097 1068340958 /nfs/dbraw/zinc/34/09/58/1068340958.db2.gz NUUCNFUPTPYYPS-QHCPKHFHSA-N 1 0 450.583 4.376 20 0 JIADRO COc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1OCc1ccc(Br)cc1 ZINC000523716516 1068347078 /nfs/dbraw/zinc/34/70/78/1068347078.db2.gz BRCSQCGZNCUBKM-UHFFFAOYSA-N 1 0 473.371 4.047 20 0 JIADRO Cc1nccc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)n1 ZINC000622373340 1068361681 /nfs/dbraw/zinc/36/16/81/1068361681.db2.gz LAFNBFCESJSVFA-JOCHJYFZSA-N 1 0 469.511 4.420 20 0 JIADRO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001474154550 1068364555 /nfs/dbraw/zinc/36/45/55/1068364555.db2.gz HSMJAQAFINQLRV-DHUDHEQZSA-N 1 0 456.652 4.455 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001300352991 1068367289 /nfs/dbraw/zinc/36/72/89/1068367289.db2.gz MZJHFNONRDEQLT-UHFFFAOYSA-N 1 0 454.644 4.354 20 0 JIADRO O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Nc1ccc(F)c(F)c1F ZINC001353617120 1068376533 /nfs/dbraw/zinc/37/65/33/1068376533.db2.gz GBWTVWPPKLBDII-RBUKOAKNSA-N 1 0 459.512 4.097 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001300360258 1068386041 /nfs/dbraw/zinc/38/60/41/1068386041.db2.gz IZZVDJGEFTXIGL-OYRHEFFESA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300361609 1068390908 /nfs/dbraw/zinc/39/09/08/1068390908.db2.gz LDYQXTRBBMUNIQ-UNMCSNQZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cc(C[NH2+]CCN2CCC(CO)CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001200400415 1068390980 /nfs/dbraw/zinc/39/09/80/1068390980.db2.gz JPVHZAVGBDCQCQ-UHFFFAOYSA-N 1 0 452.517 4.087 20 0 JIADRO CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1 ZINC001353647727 1068397617 /nfs/dbraw/zinc/39/76/17/1068397617.db2.gz GNOUEUHPSDJJMO-UHFFFAOYSA-N 1 0 455.605 4.452 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300369455 1068416217 /nfs/dbraw/zinc/41/62/17/1068416217.db2.gz DUHBEUMJIKTHND-ROUUACIJSA-N 1 0 463.573 4.077 20 0 JIADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC001353670594 1068421803 /nfs/dbraw/zinc/42/18/03/1068421803.db2.gz LGYMPHHTKXIIGT-UHFFFAOYSA-N 1 0 457.372 4.277 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375645 1068445622 /nfs/dbraw/zinc/44/56/22/1068445622.db2.gz FZYOXWVIAPYEOH-XZOQPEGZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001300378618 1068461260 /nfs/dbraw/zinc/46/12/60/1068461260.db2.gz PTWBFFFTTFYWFB-FQEVSTJZSA-N 1 0 481.645 4.432 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300378984 1068462753 /nfs/dbraw/zinc/46/27/53/1068462753.db2.gz QXQNQEVEKYYFLY-OZXSUGGESA-N 1 0 455.647 4.470 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CCN(C(=S)NCC[NH+]3CCCCC3)[C@H]2C(F)(F)F)CC1 ZINC001200422927 1068483175 /nfs/dbraw/zinc/48/31/75/1068483175.db2.gz JXBJIYUEESNQJS-QGZVFWFLSA-N 1 0 478.625 4.001 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC2CCC(OC)CC2)c1 ZINC001300389011 1068499128 /nfs/dbraw/zinc/49/91/28/1068499128.db2.gz LIGHYKLQZSSKHL-UHFFFAOYSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001300389599 1068501436 /nfs/dbraw/zinc/50/14/36/1068501436.db2.gz SXEWRYNGCACYBF-UHFFFAOYSA-N 1 0 464.614 4.105 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001300393674 1068518586 /nfs/dbraw/zinc/51/85/86/1068518586.db2.gz BNYYSDZEOLWLLD-JOCHJYFZSA-N 1 0 455.647 4.470 20 0 JIADRO CCOC(=O)c1cc(Br)c(NC(=S)NCC[NH+]2CCCCC2)c(Br)c1 ZINC001200432692 1068524129 /nfs/dbraw/zinc/52/41/29/1068524129.db2.gz XBQRQAGPQDDSPN-UHFFFAOYSA-N 1 0 493.265 4.161 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(NC(=S)NCC[NH+]3CCCCC3)cc2)C1 ZINC001200433011 1068526991 /nfs/dbraw/zinc/52/69/91/1068526991.db2.gz ICUFERGIWMEIPX-OAQYLSRUSA-N 1 0 462.660 4.237 20 0 JIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001353735776 1068528607 /nfs/dbraw/zinc/52/86/07/1068528607.db2.gz RYLDIWPJAGREKV-OAQYLSRUSA-N 1 0 450.514 4.208 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300395715 1068532624 /nfs/dbraw/zinc/53/26/24/1068532624.db2.gz SKNXPAYJKZSVEG-GHTZIAJQSA-N 1 0 481.563 4.089 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001300397982 1068540737 /nfs/dbraw/zinc/54/07/37/1068540737.db2.gz AVQLNOQALHVLCT-XMMPIXPASA-N 1 0 468.690 4.199 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001300399667 1068551223 /nfs/dbraw/zinc/55/12/23/1068551223.db2.gz IJYKWVALWMJPMG-LGVFNWMJSA-N 1 0 469.674 4.431 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300403779 1068562713 /nfs/dbraw/zinc/56/27/13/1068562713.db2.gz TVSKMKXSCGZHPJ-NZQKXSOJSA-N 1 0 482.673 4.134 20 0 JIADRO COc1cccc(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)CC2)c1 ZINC001300405583 1068567583 /nfs/dbraw/zinc/56/75/83/1068567583.db2.gz DVHYLTHKEXYQMX-QHCPKHFHSA-N 1 0 469.674 4.106 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(-c4cccn4C)n3CCC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001300406201 1068569915 /nfs/dbraw/zinc/56/99/15/1068569915.db2.gz BMMXTWHQOCTFPO-VWLOTQADSA-N 1 0 480.657 4.379 20 0 JIADRO COc1cccc(C2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001300406487 1068572205 /nfs/dbraw/zinc/57/22/05/1068572205.db2.gz YLYREEVTENOFIP-NDEPHWFRSA-N 1 0 499.700 4.299 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2ccc3c(c2)CCCCC3=O)CC1 ZINC001353775424 1068572584 /nfs/dbraw/zinc/57/25/84/1068572584.db2.gz YZYKNTOLVFPRNI-UHFFFAOYSA-N 1 0 459.512 4.296 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc(-c4nccc(C)n4)c3)CC2)c1 ZINC001200447217 1068584461 /nfs/dbraw/zinc/58/44/61/1068584461.db2.gz HWRJOMPTOVNAMZ-UHFFFAOYSA-N 1 0 458.610 4.484 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)cc1 ZINC001353790305 1068587851 /nfs/dbraw/zinc/58/78/51/1068587851.db2.gz SXAAJKMWEJYIAM-UHFFFAOYSA-N 1 0 450.505 4.088 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CCO2)c1 ZINC001300411845 1068592868 /nfs/dbraw/zinc/59/28/68/1068592868.db2.gz XZLFFGVHSKQMKZ-VIZSFHNOSA-N 1 0 485.673 4.050 20 0 JIADRO COc1cccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300413632 1068601336 /nfs/dbraw/zinc/60/13/36/1068601336.db2.gz MFHVCKHMWWGSQL-UHFFFAOYSA-N 1 0 487.446 4.208 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(Br)c(F)c1 ZINC001200455106 1068617678 /nfs/dbraw/zinc/61/76/78/1068617678.db2.gz SCFPHPIRZJWTPU-UHFFFAOYSA-N 1 0 451.340 4.383 20 0 JIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC001200460161 1068643267 /nfs/dbraw/zinc/64/32/67/1068643267.db2.gz UIJBPCIILDKSQM-UHFFFAOYSA-N 1 0 457.372 4.186 20 0 JIADRO CCOC(=O)N1[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001353844547 1068654415 /nfs/dbraw/zinc/65/44/15/1068654415.db2.gz GJPSQGIHSKWBIW-VJBMBRPKSA-N 1 0 453.583 4.373 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC001300437362 1068702146 /nfs/dbraw/zinc/70/21/46/1068702146.db2.gz OGTTUCKSCBXQGS-PQNGQFLHSA-N 1 0 499.700 4.268 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001300439253 1068708551 /nfs/dbraw/zinc/70/85/51/1068708551.db2.gz KYIYNWOZPOJRMV-NRFANRHFSA-N 1 0 472.653 4.170 20 0 JIADRO Cc1ccccc1-c1nc(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cs1 ZINC001353895859 1068729533 /nfs/dbraw/zinc/72/95/33/1068729533.db2.gz ZUBMMPNTEZEHSY-UHFFFAOYSA-N 1 0 450.608 4.021 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300447604 1068742292 /nfs/dbraw/zinc/74/22/92/1068742292.db2.gz WGRMVQOZLBIPNL-LJQANCHMSA-N 1 0 452.603 4.060 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2scnc2C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300465982 1068804431 /nfs/dbraw/zinc/80/44/31/1068804431.db2.gz LBEQFXQUMHTXFL-SFHVURJKSA-N 1 0 454.644 4.477 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300467773 1068807245 /nfs/dbraw/zinc/80/72/45/1068807245.db2.gz WWTSNNZTJIKUAA-SFHVURJKSA-N 1 0 474.403 4.286 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300467771 1068807262 /nfs/dbraw/zinc/80/72/62/1068807262.db2.gz WWTSNNZTJIKUAA-GOSISDBHSA-N 1 0 474.403 4.286 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300471030 1068811973 /nfs/dbraw/zinc/81/19/73/1068811973.db2.gz QYKOKNBYLBBWON-FQEVSTJZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300471047 1068811987 /nfs/dbraw/zinc/81/19/87/1068811987.db2.gz RPLUZGRPNNTSOR-AZUAARDMSA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300471031 1068812091 /nfs/dbraw/zinc/81/20/91/1068812091.db2.gz QYKOKNBYLBBWON-HXUWFJFHSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300471185 1068812969 /nfs/dbraw/zinc/81/29/69/1068812969.db2.gz SUKZWTQEINLVFT-YADHBBJMSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300473951 1068819913 /nfs/dbraw/zinc/81/99/13/1068819913.db2.gz AIGJTMYFNRYFEY-NHCUHLMSSA-N 1 0 485.673 4.094 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300478479 1068829854 /nfs/dbraw/zinc/82/98/54/1068829854.db2.gz JBHSDTATEYCFJZ-BVFVYWQFSA-N 1 0 455.647 4.468 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492567464 1068834526 /nfs/dbraw/zinc/83/45/26/1068834526.db2.gz AXAYGKBVCYRLBE-HSZRJFAPSA-N 1 0 480.701 4.316 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001492567602 1068836274 /nfs/dbraw/zinc/83/62/74/1068836274.db2.gz CVDOWAHSHOQEQU-IFMALSPDSA-N 1 0 482.673 4.431 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300484716 1068842143 /nfs/dbraw/zinc/84/21/43/1068842143.db2.gz VTKXWHOHQGEMBH-NZQKXSOJSA-N 1 0 455.647 4.327 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001492568393 1068845097 /nfs/dbraw/zinc/84/50/97/1068845097.db2.gz YATDXPKTXCVEKF-UHFFFAOYSA-N 1 0 492.615 4.334 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300486556 1068847928 /nfs/dbraw/zinc/84/79/28/1068847928.db2.gz ZQZBTJMGUJMBSM-QHCPKHFHSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300492352 1068858280 /nfs/dbraw/zinc/85/82/80/1068858280.db2.gz PTWYBVQNPKTNGW-HXUWFJFHSA-N 1 0 495.590 4.358 20 0 JIADRO COc1cc(NC(=S)NC2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200548144 1068867758 /nfs/dbraw/zinc/86/77/58/1068867758.db2.gz HBULTEIBWFGUBH-MRXNPFEDSA-N 1 0 499.077 4.117 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001300500955 1068870198 /nfs/dbraw/zinc/87/01/98/1068870198.db2.gz IBJMAZOTHHNQKP-LJQANCHMSA-N 1 0 481.563 4.377 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001300505392 1068876558 /nfs/dbraw/zinc/87/65/58/1068876558.db2.gz GKNGUEKFVYHVTI-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001300507248 1068881555 /nfs/dbraw/zinc/88/15/55/1068881555.db2.gz KKWHAWNMFVFOHE-OFNKIYASSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1nc(C)cs1 ZINC001300512911 1068892970 /nfs/dbraw/zinc/89/29/70/1068892970.db2.gz KUBMHLPWUKNWBG-UHFFFAOYSA-N 1 0 454.644 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300514110 1068895362 /nfs/dbraw/zinc/89/53/62/1068895362.db2.gz XHNYZSNNVFXJEQ-PMACEKPBSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300518444 1068904301 /nfs/dbraw/zinc/90/43/01/1068904301.db2.gz SKRYMYPADIOVAG-NZQKXSOJSA-N 1 0 455.647 4.325 20 0 JIADRO C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001354157315 1068937619 /nfs/dbraw/zinc/93/76/19/1068937619.db2.gz RJLNSIGJRUYQAR-FIPFOOKPSA-N 1 0 457.618 4.338 20 0 JIADRO C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001354157317 1068937700 /nfs/dbraw/zinc/93/77/00/1068937700.db2.gz RJLNSIGJRUYQAR-LXFBAYGMSA-N 1 0 457.618 4.338 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300531130 1068942579 /nfs/dbraw/zinc/94/25/79/1068942579.db2.gz VRFZMRPDFJUQSV-PBDKAQRYSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300533965 1068950077 /nfs/dbraw/zinc/95/00/77/1068950077.db2.gz AGTQMCFXMXDRLA-UHFFFAOYSA-N 1 0 486.711 4.106 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300536602 1068957838 /nfs/dbraw/zinc/95/78/38/1068957838.db2.gz RDCOTDTTWYMYQP-KDURUIRLSA-N 1 0 496.656 4.007 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300536798 1068958326 /nfs/dbraw/zinc/95/83/26/1068958326.db2.gz UZLGQVSMNPCFGV-OAQYLSRUSA-N 1 0 462.623 4.273 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300539272 1068965422 /nfs/dbraw/zinc/96/54/22/1068965422.db2.gz AOXVWCXFZMSPLP-LJQANCHMSA-N 1 0 468.652 4.335 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2c(F)cccc2N2CCCC2)CC1 ZINC001200590362 1068973363 /nfs/dbraw/zinc/97/33/63/1068973363.db2.gz KOUQFQOBDDBMOB-UHFFFAOYSA-N 1 0 450.524 4.486 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001492568732 1068978623 /nfs/dbraw/zinc/97/86/23/1068978623.db2.gz XMRXOCQNHQHEPO-UHFFFAOYSA-N 1 0 453.660 4.371 20 0 JIADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C2)c1 ZINC001354209783 1068979752 /nfs/dbraw/zinc/97/97/52/1068979752.db2.gz KTOVXJKKQSKCIJ-AWRGLXIESA-N 1 0 453.652 4.416 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)[C@@H]1c1cccs1 ZINC001354209676 1068980130 /nfs/dbraw/zinc/98/01/30/1068980130.db2.gz JRASPUUPFIORIT-MQSCRBSSSA-N 1 0 455.624 4.439 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(F)(F)F ZINC001492586172 1069000803 /nfs/dbraw/zinc/00/08/03/1069000803.db2.gz YHEJCYYZNDECDU-FQEVSTJZSA-N 1 0 465.564 4.068 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300552755 1069003584 /nfs/dbraw/zinc/00/35/84/1069003584.db2.gz VJTOVUOOHCGSAU-NBGIEHNGSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C(F)(F)F)CC2)n1CCC[NH+]1CCCC1 ZINC001300552938 1069004306 /nfs/dbraw/zinc/00/43/06/1069004306.db2.gz XKLJFKIRQXONDV-UHFFFAOYSA-N 1 0 451.537 4.142 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001492586584 1069004279 /nfs/dbraw/zinc/00/42/79/1069004279.db2.gz MWHMXMYBZGULQD-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492571684 1069018783 /nfs/dbraw/zinc/01/87/83/1069018783.db2.gz GWPPFMGXCAFJLV-HBMCJLEFSA-N 1 0 461.601 4.218 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300561644 1069033692 /nfs/dbraw/zinc/03/36/92/1069033692.db2.gz DYLJQFZAJLBMLX-OAQYLSRUSA-N 1 0 483.060 4.465 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300562323 1069036584 /nfs/dbraw/zinc/03/65/84/1069036584.db2.gz JKBUZFBDHMONBN-ATIYNZHBSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001300562687 1069037927 /nfs/dbraw/zinc/03/79/27/1069037927.db2.gz LBHXEZFADQFEQB-ISKFKSNPSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCOC(C)C ZINC001300563600 1069041962 /nfs/dbraw/zinc/04/19/62/1069041962.db2.gz RZFTZLCTWQWMBD-HSZRJFAPSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481037 1069049587 /nfs/dbraw/zinc/04/95/87/1069049587.db2.gz IZKNRYQKBNKDAJ-RPBOFIJWSA-N 1 0 475.593 4.134 20 0 JIADRO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849486657 1069053657 /nfs/dbraw/zinc/05/36/57/1069053657.db2.gz LLTSPUBMJGXXJG-PKTZIBPZSA-N 1 0 482.650 4.153 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487891 1069053803 /nfs/dbraw/zinc/05/38/03/1069053803.db2.gz AYLRZVHURWLSHM-DLBZAZTESA-N 1 0 464.422 4.448 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccc(OC)cc2)cc1 ZINC000849487947 1069054685 /nfs/dbraw/zinc/05/46/85/1069054685.db2.gz QHHGETSSVNDYAN-FCEKVYKBSA-N 1 0 490.648 4.351 20 0 JIADRO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1NC(=O)Nc1ccccc1 ZINC001300566294 1069056115 /nfs/dbraw/zinc/05/61/15/1069056115.db2.gz FAARPSCRZAMEFX-XMMPIXPASA-N 1 0 458.562 4.136 20 0 JIADRO COc1ccc(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849488680 1069056430 /nfs/dbraw/zinc/05/64/30/1069056430.db2.gz IERMPSVTBMXTFC-FTJBHMTQSA-N 1 0 452.643 4.114 20 0 JIADRO COc1ccc(CCC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849488682 1069056450 /nfs/dbraw/zinc/05/64/50/1069056450.db2.gz IERMPSVTBMXTFC-UIOOFZCWSA-N 1 0 452.643 4.114 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300566393 1069057211 /nfs/dbraw/zinc/05/72/11/1069057211.db2.gz ACECXGLNTDDKNF-JAXLGGSGSA-N 1 0 487.714 4.097 20 0 JIADRO CC(=O)c1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489873 1069057493 /nfs/dbraw/zinc/05/74/93/1069057493.db2.gz SYPNQPATTWENDN-PMACEKPBSA-N 1 0 451.596 4.199 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@@H](c2cnn(C)c2)C1 ZINC000849490830 1069058566 /nfs/dbraw/zinc/05/85/66/1069058566.db2.gz PULAYBHYCGLILL-VQTJNVASSA-N 1 0 463.607 4.420 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491998 1069059508 /nfs/dbraw/zinc/05/95/08/1069059508.db2.gz BKIYPVZVPFIFJV-YKFJAUDESA-N 1 0 468.671 4.192 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492143 1069059575 /nfs/dbraw/zinc/05/95/75/1069059575.db2.gz VSSMNSRHVPTDDN-CTNGQTDRSA-N 1 0 497.393 4.076 20 0 JIADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849492726 1069062681 /nfs/dbraw/zinc/06/26/81/1069062681.db2.gz XTQNHAUWFRWGHN-UPVQGACJSA-N 1 0 476.577 4.101 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492932 1069062744 /nfs/dbraw/zinc/06/27/44/1069062744.db2.gz HFWYDLPNIHYDCM-RTBURBONSA-N 1 0 463.529 4.160 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@H](c2cnn(C)c2)C1 ZINC000849493962 1069064578 /nfs/dbraw/zinc/06/45/78/1069064578.db2.gz NUYRGUQXARKAHH-OALUTQOASA-N 1 0 460.504 4.077 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495395 1069065718 /nfs/dbraw/zinc/06/57/18/1069065718.db2.gz CKKGXWQULIXXTD-GMAHTHKFSA-N 1 0 498.096 4.182 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849495028 1069065820 /nfs/dbraw/zinc/06/58/20/1069065820.db2.gz ANLURWHLHVIMQB-FDFHNCONSA-N 1 0 492.451 4.171 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499310 1069069579 /nfs/dbraw/zinc/06/95/79/1069069579.db2.gz VDXRKXZATNJCRW-ZEQRLZLVSA-N 1 0 498.096 4.182 20 0 JIADRO Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498519 1069070481 /nfs/dbraw/zinc/07/04/81/1069070481.db2.gz AULXXNYQLCAHKN-BJKOFHAPSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849499753 1069071181 /nfs/dbraw/zinc/07/11/81/1069071181.db2.gz FLKXVGPACRGTAO-PMACEKPBSA-N 1 0 450.505 4.112 20 0 JIADRO CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc2s1 ZINC000849500199 1069072175 /nfs/dbraw/zinc/07/21/75/1069072175.db2.gz XGNLXYZETGGVII-VQTJNVASSA-N 1 0 454.596 4.264 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849500122 1069072254 /nfs/dbraw/zinc/07/22/54/1069072254.db2.gz GPSGSVKXEJRZFD-DNQXCXABSA-N 1 0 459.594 4.433 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503145 1069076607 /nfs/dbraw/zinc/07/66/07/1069076607.db2.gz GQOSGFJQGBDOPO-RTWAWAEBSA-N 1 0 455.603 4.368 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503157 1069076787 /nfs/dbraw/zinc/07/67/87/1069076787.db2.gz GYPQZFVSEAJYPU-RTWAWAEBSA-N 1 0 455.603 4.368 20 0 JIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849502901 1069078570 /nfs/dbraw/zinc/07/85/70/1069078570.db2.gz FYXPTNUOVVHDFI-UPVQGACJSA-N 1 0 494.039 4.410 20 0 JIADRO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849503462 1069079694 /nfs/dbraw/zinc/07/96/94/1069079694.db2.gz YAVPFBUUIYPRAG-PFBJBMPXSA-N 1 0 494.680 4.210 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504358 1069080440 /nfs/dbraw/zinc/08/04/40/1069080440.db2.gz OQWMOJKRPBEGAB-OPXMRZJTSA-N 1 0 491.636 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503865 1069082491 /nfs/dbraw/zinc/08/24/91/1069082491.db2.gz LZZARQFVIFHTJF-IZZNHLLZSA-N 1 0 473.621 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504030 1069082547 /nfs/dbraw/zinc/08/25/47/1069082547.db2.gz BBYDIYSFKKDHGE-LADGPHEKSA-N 1 0 465.642 4.277 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849505366 1069084317 /nfs/dbraw/zinc/08/43/17/1069084317.db2.gz SEFPZGZKGZCCNG-LZYPDUGYSA-N 1 0 461.610 4.085 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849505370 1069084447 /nfs/dbraw/zinc/08/44/47/1069084447.db2.gz SEFPZGZKGZCCNG-YMSRPXOMSA-N 1 0 461.610 4.085 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506159 1069085438 /nfs/dbraw/zinc/08/54/38/1069085438.db2.gz VBMGPLRPSHJXQR-IFMALSPDSA-N 1 0 472.033 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001300572871 1069086226 /nfs/dbraw/zinc/08/62/26/1069086226.db2.gz AHHOOQOUZILUMH-MHZLTWQESA-N 1 0 497.709 4.405 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)[C@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505904 1069086258 /nfs/dbraw/zinc/08/62/58/1069086258.db2.gz KEWJXFUNBDVHIE-WIOPSUGQSA-N 1 0 463.626 4.130 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849507157 1069087277 /nfs/dbraw/zinc/08/72/77/1069087277.db2.gz PECHBAZTSLYTCE-DLBZAZTESA-N 1 0 453.812 4.313 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507418 1069087975 /nfs/dbraw/zinc/08/79/75/1069087975.db2.gz ZGPOMRSSFTWRTM-XZOQPEGZSA-N 1 0 462.560 4.346 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849508130 1069088973 /nfs/dbraw/zinc/08/89/73/1069088973.db2.gz HCEQUDRALAIPKB-UXHICEINSA-N 1 0 452.530 4.343 20 0 JIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509418 1069090737 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IZJQNNNTQXMUBD-KVSKMBFKSA-N 1 0 468.816 4.164 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC001354468850 1069242909 /nfs/dbraw/zinc/24/29/09/1069242909.db2.gz YEUNMVJCWJRWBN-UHFFFAOYSA-N 1 0 452.509 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@H](c2cnn(C)c2)C1 ZINC000849594348 1069245281 /nfs/dbraw/zinc/24/52/81/1069245281.db2.gz WXXULTGLTZXFNH-OALUTQOASA-N 1 0 456.388 4.183 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300622530 1069246898 /nfs/dbraw/zinc/24/68/98/1069246898.db2.gz KQUXOTXNRLICNH-IBGZPJMESA-N 1 0 485.032 4.248 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849594692 1069247881 /nfs/dbraw/zinc/24/78/81/1069247881.db2.gz HIELFEIJNUUNKX-UXHICEINSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849596199 1069248585 /nfs/dbraw/zinc/24/85/85/1069248585.db2.gz LQHPQSWSMNRWPM-QGTPRVQTSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)[C@H](c2cnn(C)c2)C1 ZINC000849596142 1069249320 /nfs/dbraw/zinc/24/93/20/1069249320.db2.gz NHEWQMRNDCFOJR-GOTSBHOMSA-N 1 0 497.640 4.002 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849596867 1069253090 /nfs/dbraw/zinc/25/30/90/1069253090.db2.gz PWRYIKWBJPCAFB-DWLFOUALSA-N 1 0 473.459 4.436 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300624749 1069255149 /nfs/dbraw/zinc/25/51/49/1069255149.db2.gz BBRFGGQNTGSMJD-WBADGQHESA-N 1 0 485.673 4.380 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849599208 1069256146 /nfs/dbraw/zinc/25/61/46/1069256146.db2.gz LSKRCFDQYYGXOC-PKTZIBPZSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849599817 1069257000 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CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC001164904463 721578735 /nfs/dbraw/zinc/57/87/35/721578735.db2.gz QIDUCLBNIZHRKH-RPBOFIJWSA-N 1 0 467.658 4.392 20 0 JIADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1)C1CC1 ZINC001164803732 721605770 /nfs/dbraw/zinc/60/57/70/721605770.db2.gz VSZYANSXLQSJEA-XMMPIXPASA-N 1 0 453.974 4.083 20 0 JIADRO COC(=O)c1ccc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907444 721699002 /nfs/dbraw/zinc/69/90/02/721699002.db2.gz SSZPOXHPFHIYCR-XMMPIXPASA-N 1 0 452.505 4.154 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904027 721701804 /nfs/dbraw/zinc/70/18/04/721701804.db2.gz CMKFWBKSKBHQJE-FQEVSTJZSA-N 1 0 486.897 4.199 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904029 721701835 /nfs/dbraw/zinc/70/18/35/721701835.db2.gz CMKFWBKSKBHQJE-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905631 721709138 /nfs/dbraw/zinc/70/91/38/721709138.db2.gz ICJGPCJFIJHHEV-HXUWFJFHSA-N 1 0 486.350 4.093 20 0 JIADRO COC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc2c1OC ZINC001164911747 721730452 /nfs/dbraw/zinc/73/04/52/721730452.db2.gz KCHAQAHXASTIFT-VWLOTQADSA-N 1 0 482.531 4.163 20 0 JIADRO COC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc2c1OC ZINC001164911744 721730661 /nfs/dbraw/zinc/73/06/61/721730661.db2.gz KCHAQAHXASTIFT-RUZDIDTESA-N 1 0 482.531 4.163 20 0 JIADRO FC1(F)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909892 721731387 /nfs/dbraw/zinc/73/13/87/721731387.db2.gz FLFAXLXYVNQBCW-VWLOTQADSA-N 1 0 462.548 4.160 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001165011104 721733815 /nfs/dbraw/zinc/73/38/15/721733815.db2.gz LHBWRNIHPROGBB-UHFFFAOYSA-N 1 0 455.606 4.334 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]21 ZINC001165020483 721804653 /nfs/dbraw/zinc/80/46/53/721804653.db2.gz FUSCWFNIMNGETE-DFQSSKMNSA-N 1 0 477.003 4.407 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165020380 721806111 /nfs/dbraw/zinc/80/61/11/721806111.db2.gz FLYAWYHCFGIKGT-IPELMVKDSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165027206 721810860 /nfs/dbraw/zinc/81/08/60/721810860.db2.gz TVLIGVAZRVTIDP-KNBMTAEXSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@@H]21 ZINC001165026476 721817244 /nfs/dbraw/zinc/81/72/44/721817244.db2.gz QTNJGLVDPNFLHB-HHXXYDBFSA-N 1 0 458.944 4.355 20 0 JIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025704 721828393 /nfs/dbraw/zinc/82/83/93/721828393.db2.gz NNGFPICYFYTEHP-QTJGBDASSA-N 1 0 456.594 4.169 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928707 721836937 /nfs/dbraw/zinc/83/69/37/721836937.db2.gz XXSPYQCVSFBVPX-PPJWLVRDSA-N 1 0 450.631 4.073 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)NC2CCCCC2)CC1 ZINC001165023402 721838609 /nfs/dbraw/zinc/83/86/09/721838609.db2.gz WKQRGPDUKQQZCM-UHFFFAOYSA-N 1 0 466.626 4.262 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001165022199 721840224 /nfs/dbraw/zinc/84/02/24/721840224.db2.gz QEDMGKCPKHOYLP-UHFFFAOYSA-N 1 0 487.648 4.153 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001165020450 721841615 /nfs/dbraw/zinc/84/16/15/721841615.db2.gz DQCVCCQAIMOFQY-UHFFFAOYSA-N 1 0 475.033 4.381 20 0 JIADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)C1 ZINC001165036530 721894940 /nfs/dbraw/zinc/89/49/40/721894940.db2.gz SKVCYEMCBPNTDV-MRXNPFEDSA-N 1 0 456.587 4.063 20 0 JIADRO C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)C1 ZINC001165037118 721895786 /nfs/dbraw/zinc/89/57/86/721895786.db2.gz VAPXKSCULRHFNW-DEOSSOPVSA-N 1 0 464.635 4.003 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165037184 721899947 /nfs/dbraw/zinc/89/99/47/721899947.db2.gz KUCABRYEPSPFBR-XZOQPEGZSA-N 1 0 464.654 4.340 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940572 721926566 /nfs/dbraw/zinc/92/65/66/721926566.db2.gz TZBRUZQBLVZKJI-UHFFFAOYSA-N 1 0 480.996 4.250 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC3)C2)cc1 ZINC001164938671 721927954 /nfs/dbraw/zinc/92/79/54/721927954.db2.gz DFBUFFVBWPERTK-UHFFFAOYSA-N 1 0 499.663 4.104 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)CC3)C2)cc1 ZINC001164940156 721931607 /nfs/dbraw/zinc/93/16/07/721931607.db2.gz QSJHGEOMGPCLBT-UHFFFAOYSA-N 1 0 461.944 4.336 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)cc1 ZINC001164940715 721932728 /nfs/dbraw/zinc/93/27/28/721932728.db2.gz YJTMVWVDAJNTDR-UHFFFAOYSA-N 1 0 455.606 4.207 20 0 JIADRO CN(CC1CC[NH+](C)CC1)[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165041384 721934588 /nfs/dbraw/zinc/93/45/88/721934588.db2.gz TVVIUWYYJXJKGV-JOCHJYFZSA-N 1 0 452.405 4.195 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)n1 ZINC001164961240 722051269 /nfs/dbraw/zinc/05/12/69/722051269.db2.gz WUAKSEMLRGQHGC-DCLXLUIPSA-N 1 0 480.682 4.450 20 0 JIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961287 722052612 /nfs/dbraw/zinc/05/26/12/722052612.db2.gz XEPIRLZGSKUVMR-UHFFFAOYSA-N 1 0 457.352 4.447 20 0 JIADRO CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164966113 722066719 /nfs/dbraw/zinc/06/67/19/722066719.db2.gz WFANQXWMYIIGEX-UHFFFAOYSA-N 1 0 496.027 4.104 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCc5onc(COc6ccccn6)c5C4)ccc3C2)cc1 ZINC001164968634 722082826 /nfs/dbraw/zinc/08/28/26/722082826.db2.gz FRDJDWMAVDYKMQ-UHFFFAOYSA-N 1 0 453.546 4.165 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1 ZINC001164971294 722090876 /nfs/dbraw/zinc/09/08/76/722090876.db2.gz BAIVPGPDOQPGIC-YMPZKCBVSA-N 1 0 454.640 4.018 20 0 JIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164981411 722097290 /nfs/dbraw/zinc/09/72/90/722097290.db2.gz OBMINHSMGYCPCN-PNIUZAESSA-N 1 0 467.617 4.186 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978103 722141340 /nfs/dbraw/zinc/14/13/40/722141340.db2.gz JZEKXAQUBNXEOT-DHIUTWEWSA-N 1 0 486.645 4.492 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982566 722144202 /nfs/dbraw/zinc/14/42/02/722144202.db2.gz RQWOZFUQLNAKHP-NFBKMPQASA-N 1 0 485.966 4.464 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981127 722148194 /nfs/dbraw/zinc/14/81/94/722148194.db2.gz OOUZXAFDGLAHIB-OPHFCASCSA-N 1 0 483.975 4.047 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978899 722150380 /nfs/dbraw/zinc/15/03/80/722150380.db2.gz KOHXENJTABIESO-NZQKXSOJSA-N 1 0 485.966 4.464 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998017 722220328 /nfs/dbraw/zinc/22/03/28/722220328.db2.gz GNVVLJBXFVQKPO-CUNXSJBXSA-N 1 0 462.594 4.381 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CCC2 ZINC001165000841 722252072 /nfs/dbraw/zinc/25/20/72/722252072.db2.gz VJUHPPKUGZXMBO-UHFFFAOYSA-N 1 0 453.201 4.380 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165005797 722270405 /nfs/dbraw/zinc/27/04/05/722270405.db2.gz KDQBEAZXOLJUAO-SHQCIBLASA-N 1 0 465.617 4.085 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300642343 1069311176 /nfs/dbraw/zinc/31/11/76/1069311176.db2.gz KYPZMYCLUCDXAV-HXUWFJFHSA-N 1 0 499.059 4.453 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300643342 1069313334 /nfs/dbraw/zinc/31/33/34/1069313334.db2.gz YPXPKDRPECQRJW-XUZZJYLKSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(F)(F)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300644271 1069315848 /nfs/dbraw/zinc/31/58/48/1069315848.db2.gz UGWVXKYTKCPYDO-LJQANCHMSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300645608 1069318189 /nfs/dbraw/zinc/31/81/89/1069318189.db2.gz AIBGDUCEYMMWHR-OALUTQOASA-N 1 0 463.573 4.079 20 0 JIADRO O=C(CC1CCC2(CC1)OCCO2)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354544293 1069319480 /nfs/dbraw/zinc/31/94/80/1069319480.db2.gz ABQPOMURWSYIBM-OAQYLSRUSA-N 1 0 454.533 4.223 20 0 JIADRO COc1ccc(COCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001354545366 1069320140 /nfs/dbraw/zinc/32/01/40/1069320140.db2.gz KRAZJUZOCBQWHH-NRFANRHFSA-N 1 0 450.501 4.125 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@](C)(O)C(C)C ZINC001300650498 1069332169 /nfs/dbraw/zinc/33/21/69/1069332169.db2.gz YOVJHQYBAGERBN-JWZKTCGFSA-N 1 0 499.700 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCO[C@@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300651741 1069336885 /nfs/dbraw/zinc/33/68/85/1069336885.db2.gz DFNPTTBSPKHXBQ-ZRBLBEILSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300661869 1069375874 /nfs/dbraw/zinc/37/58/74/1069375874.db2.gz VWLJXCSLRKJXHD-IDISGSTGSA-N 1 0 478.641 4.374 20 0 JIADRO Cc1nc(Br)sc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001354600471 1069382325 /nfs/dbraw/zinc/38/23/25/1069382325.db2.gz JKFTZOJJIJYYKL-UHFFFAOYSA-N 1 0 451.390 4.281 20 0 JIADRO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc(Br)c(Br)c2)c1 ZINC001354602133 1069383993 /nfs/dbraw/zinc/38/39/93/1069383993.db2.gz WYIWXXFVFQRKNN-UHFFFAOYSA-N 1 0 456.178 4.333 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001300668889 1069395892 /nfs/dbraw/zinc/39/58/92/1069395892.db2.gz HJVTWNBUULAXMS-SFTDATJTSA-N 1 0 486.730 4.230 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359347317 1069419661 /nfs/dbraw/zinc/41/96/61/1069419661.db2.gz IURKWYUVPSQALO-YIUMPIMRSA-N 1 0 464.658 4.174 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359348673 1069424356 /nfs/dbraw/zinc/42/43/56/1069424356.db2.gz KJRXQROTWVWULL-ICYHXEIMSA-N 1 0 450.631 4.033 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cccc(C)n2)n1CCCC[NH+]1CCOCC1 ZINC001359348734 1069424988 /nfs/dbraw/zinc/42/49/88/1069424988.db2.gz LKQQWSQRMSGYIR-XDOYNYLZSA-N 1 0 460.626 4.301 20 0 JIADRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(I)c(Br)cc2F)C1(C)C ZINC001200732878 1069427947 /nfs/dbraw/zinc/42/79/47/1069427947.db2.gz DBJUPTFRKFQCBV-HIFRSBDPSA-N 1 0 456.137 4.486 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](OC)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300678629 1069436706 /nfs/dbraw/zinc/43/67/06/1069436706.db2.gz GLXMUKZIRGEISD-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353732 1069436955 /nfs/dbraw/zinc/43/69/55/1069436955.db2.gz LKCSRBUYUACERG-RUZDIDTESA-N 1 0 480.701 4.226 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](OC)C2)n1CCC[NH+]1CCCCC1 ZINC001300679260 1069438849 /nfs/dbraw/zinc/43/88/49/1069438849.db2.gz LDMAKHPLESXLDT-FQEVSTJZSA-N 1 0 459.660 4.070 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359357338 1069446869 /nfs/dbraw/zinc/44/68/69/1069446869.db2.gz DEGABGRZPNWIKY-TZIWHRDSSA-N 1 0 473.065 4.168 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]2CSC)n1CC1([NH+](C)C)CCC1 ZINC001300680081 1069443142 /nfs/dbraw/zinc/44/31/42/1069443142.db2.gz UDZFKBUDQATBJZ-SFHVURJKSA-N 1 0 461.701 4.395 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359363691 1069457215 /nfs/dbraw/zinc/45/72/15/1069457215.db2.gz XKKTZWKNIBSURK-HSZRJFAPSA-N 1 0 498.741 4.305 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359374460 1069479742 /nfs/dbraw/zinc/47/97/42/1069479742.db2.gz CZODNIMTOYSXFR-OYRHEFFESA-N 1 0 487.092 4.415 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@H]2C)CC1 ZINC001359380511 1069485633 /nfs/dbraw/zinc/48/56/33/1069485633.db2.gz NGBHRWQQWBDOIC-RDGATRHJSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001359385642 1069492317 /nfs/dbraw/zinc/49/23/17/1069492317.db2.gz HRGCIOOZRUGDIM-RTBURBONSA-N 1 0 491.055 4.307 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC001359386139 1069493993 /nfs/dbraw/zinc/49/39/93/1069493993.db2.gz UPCINGXSHVODKM-SFHVURJKSA-N 1 0 498.672 4.458 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC001359393352 1069498661 /nfs/dbraw/zinc/49/86/61/1069498661.db2.gz QUYISVSTDLUMLW-NTKDMRAZSA-N 1 0 487.092 4.090 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001359393586 1069499090 /nfs/dbraw/zinc/49/90/90/1069499090.db2.gz XJSFUJIVTRBMCS-OAQYLSRUSA-N 1 0 487.092 4.091 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001359396930 1069502689 /nfs/dbraw/zinc/50/26/89/1069502689.db2.gz PEYQZTQFYQATOI-YADHBBJMSA-N 1 0 484.714 4.056 20 0 JIADRO CC(=O)Nc1ccc(CCn2c(N3CC[C@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001359404760 1069510107 /nfs/dbraw/zinc/51/01/07/1069510107.db2.gz YHRXXGQROLPTBW-JOCHJYFZSA-N 1 0 452.647 4.089 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359411571 1069527772 /nfs/dbraw/zinc/52/77/72/1069527772.db2.gz QENUWRRWVAWWLQ-VNXZQDSDSA-N 1 0 496.059 4.180 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359430399 1069555063 /nfs/dbraw/zinc/55/50/63/1069555063.db2.gz TVSZXNNAJAYQMY-MMTVBGGISA-N 1 0 496.700 4.089 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001359433673 1069561608 /nfs/dbraw/zinc/56/16/08/1069561608.db2.gz NGYCQTOCVOGGLV-JIPXPUAJSA-N 1 0 498.741 4.032 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001359437343 1069565408 /nfs/dbraw/zinc/56/54/08/1069565408.db2.gz CSBAHOJGGYXNCN-RQTOMXEWSA-N 1 0 472.722 4.121 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359441240 1069573276 /nfs/dbraw/zinc/57/32/76/1069573276.db2.gz CYSMVHGRUWWPQE-VXKWHMMOSA-N 1 0 466.674 4.056 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001359443561 1069575587 /nfs/dbraw/zinc/57/55/87/1069575587.db2.gz DGTTYAWPHHEXER-HXUWFJFHSA-N 1 0 494.709 4.412 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001359444393 1069576562 /nfs/dbraw/zinc/57/65/62/1069576562.db2.gz HSKWVZBOJNLKMP-QFIPXVFZSA-N 1 0 496.700 4.126 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001359463534 1069586831 /nfs/dbraw/zinc/58/68/31/1069586831.db2.gz PEKCEIGGFCVMCC-UHFFFAOYSA-N 1 0 495.697 4.117 20 0 JIADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)C1 ZINC001359491660 1069707550 /nfs/dbraw/zinc/70/75/50/1069707550.db2.gz RXGSNBVNLVLXDF-QFIPXVFZSA-N 1 0 498.691 4.263 20 0 JIADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001359491734 1069709232 /nfs/dbraw/zinc/70/92/32/1069709232.db2.gz SUYBLYDKJGTYPP-OAQYLSRUSA-N 1 0 460.711 4.220 20 0 JIADRO CC(C)(C)c1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001359496251 1069730242 /nfs/dbraw/zinc/73/02/42/1069730242.db2.gz LKWCRUPJBXZEEG-UHFFFAOYSA-N 1 0 451.659 4.493 20 0 JIADRO CC(C)(C)c1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCSCCCO)cc1 ZINC001359497567 1069739024 /nfs/dbraw/zinc/73/90/24/1069739024.db2.gz WIVDPCPXIZDHEV-UHFFFAOYSA-N 1 0 459.704 4.279 20 0 JIADRO CC(C)(C)C1=CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001359499841 1069755036 /nfs/dbraw/zinc/75/50/36/1069755036.db2.gz YUZODWUUUPYZPE-UHFFFAOYSA-N 1 0 459.635 4.228 20 0 JIADRO CC(C)(C)c1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1CCCC[NH+]1CCOCC1 ZINC001359500980 1069761739 /nfs/dbraw/zinc/76/17/39/1069761739.db2.gz PIOUKBKOPWBCMM-QHCPKHFHSA-N 1 0 473.637 4.013 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359508851 1069784146 /nfs/dbraw/zinc/78/41/46/1069784146.db2.gz IYNNDUOAAUGCCK-FQEVSTJZSA-N 1 0 461.601 4.062 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001359510490 1069789175 /nfs/dbraw/zinc/78/91/75/1069789175.db2.gz VIIFJDZCHNMIAE-XZOQPEGZSA-N 1 0 498.691 4.151 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359512083 1069792438 /nfs/dbraw/zinc/79/24/38/1069792438.db2.gz MCNQPULWNSZWGM-UHFFFAOYSA-N 1 0 488.558 4.472 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CCSCC(F)(F)F ZINC001359514223 1069800507 /nfs/dbraw/zinc/80/05/07/1069800507.db2.gz ADJVYFCXUSETQI-UHFFFAOYSA-N 1 0 467.605 4.161 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCCC1 ZINC001359516601 1069802575 /nfs/dbraw/zinc/80/25/75/1069802575.db2.gz DQRMKQLFSZPLFB-FQEVSTJZSA-N 1 0 450.002 4.432 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359519476 1069806279 /nfs/dbraw/zinc/80/62/79/1069806279.db2.gz JLVWUQROZQXZBI-PKOBYXMFSA-N 1 0 493.494 4.145 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001359519475 1069806380 /nfs/dbraw/zinc/80/63/80/1069806380.db2.gz JLVWUQROZQXZBI-MJGOQNOKSA-N 1 0 493.494 4.145 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCOC(F)F)C1 ZINC001359520534 1069808000 /nfs/dbraw/zinc/80/80/00/1069808000.db2.gz HVDZTJTTZXSSRK-NRFANRHFSA-N 1 0 490.643 4.145 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC[NH+]1CCCCC1 ZINC001359527439 1069816922 /nfs/dbraw/zinc/81/69/22/1069816922.db2.gz MNISGJXDOIRKMF-UHFFFAOYSA-N 1 0 484.664 4.025 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001359527762 1069817656 /nfs/dbraw/zinc/81/76/56/1069817656.db2.gz XFPBZOCOLKRBAJ-UHFFFAOYSA-N 1 0 486.064 4.032 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H]1CCCCS1 ZINC001359529284 1069819488 /nfs/dbraw/zinc/81/94/88/1069819488.db2.gz OKOVLFCCLWKXBY-QFIPXVFZSA-N 1 0 463.736 4.481 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCSCC(F)(F)F ZINC001359529352 1069819518 /nfs/dbraw/zinc/81/95/18/1069819518.db2.gz QIBUUEKREHPVNV-UHFFFAOYSA-N 1 0 491.668 4.491 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001359533703 1069826563 /nfs/dbraw/zinc/82/65/63/1069826563.db2.gz HDZJQFLMGXOSQW-HSZRJFAPSA-N 1 0 453.675 4.498 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCN1CCOC(C)(C)C1 ZINC001359535223 1069828637 /nfs/dbraw/zinc/82/86/37/1069828637.db2.gz MTYNIEADNJZICI-QHCPKHFHSA-N 1 0 474.738 4.070 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001359538334 1069834047 /nfs/dbraw/zinc/83/40/47/1069834047.db2.gz NUGWNBQEDYCGJI-UHFFFAOYSA-N 1 0 472.722 4.362 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCCSC1 ZINC001359540630 1069838167 /nfs/dbraw/zinc/83/81/67/1069838167.db2.gz BVZIIFNPCDUDKP-SFHVURJKSA-N 1 0 477.641 4.101 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001359540190 1069837543 /nfs/dbraw/zinc/83/75/43/1069837543.db2.gz MBGLHAWJADSDMM-SQJMNOBHSA-N 1 0 457.688 4.008 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCSCc1ccccc1 ZINC001359541230 1069838473 /nfs/dbraw/zinc/83/84/73/1069838473.db2.gz SXYDHGCSZZKJTM-UHFFFAOYSA-N 1 0 471.715 4.349 20 0 JIADRO CC(C)(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359544199 1069843207 /nfs/dbraw/zinc/84/32/07/1069843207.db2.gz HSWIWCGZJQLCFH-UHFFFAOYSA-N 1 0 455.651 4.310 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC1(C)C ZINC001300794505 1069845878 /nfs/dbraw/zinc/84/58/78/1069845878.db2.gz DZPZAOUXMNGEFT-SFHVURJKSA-N 1 0 478.062 4.253 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001359547567 1069853406 /nfs/dbraw/zinc/85/34/06/1069853406.db2.gz UPBRTPRPBKAOSZ-GOSISDBHSA-N 1 0 496.578 4.181 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001359547657 1069853549 /nfs/dbraw/zinc/85/35/49/1069853549.db2.gz XVDADSQPBJAPPX-RUZDIDTESA-N 1 0 460.066 4.350 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CSCCS2)CC1 ZINC001359548932 1069856945 /nfs/dbraw/zinc/85/69/45/1069856945.db2.gz WKBAIBDWIZAXFT-IBGZPJMESA-N 1 0 463.692 4.167 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001359547718 1069854044 /nfs/dbraw/zinc/85/40/44/1069854044.db2.gz ABBJLZHTEQQCLQ-GOSISDBHSA-N 1 0 496.578 4.323 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001359548028 1069854316 /nfs/dbraw/zinc/85/43/16/1069854316.db2.gz LNOIGNODFPYTKA-UHFFFAOYSA-N 1 0 490.578 4.500 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCCCCC2)CC1 ZINC001359548981 1069857105 /nfs/dbraw/zinc/85/71/05/1069857105.db2.gz YVIAAXGLWCNFFN-UHFFFAOYSA-N 1 0 473.637 4.392 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOc2ncccc2F)CC1 ZINC001359548518 1069855180 /nfs/dbraw/zinc/85/51/80/1069855180.db2.gz DVALBOKSYBURKZ-UHFFFAOYSA-N 1 0 487.023 4.446 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)CC1 ZINC001359548739 1069856093 /nfs/dbraw/zinc/85/60/93/1069856093.db2.gz OUYRTRXRBQIYLL-MRXNPFEDSA-N 1 0 480.426 4.194 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCOC(F)(F)F)CC1 ZINC001359548810 1069856123 /nfs/dbraw/zinc/85/61/23/1069856123.db2.gz RFIVEFUTKMXNKW-UHFFFAOYSA-N 1 0 473.515 4.233 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001359548905 1069856650 /nfs/dbraw/zinc/85/66/50/1069856650.db2.gz VGRKINWOCLXKGG-HXUWFJFHSA-N 1 0 479.691 4.155 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2)CC1 ZINC001359548833 1069856698 /nfs/dbraw/zinc/85/66/98/1069856698.db2.gz SFERBZJRIXEJSN-UHFFFAOYSA-N 1 0 475.410 4.338 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359550227 1069858541 /nfs/dbraw/zinc/85/85/41/1069858541.db2.gz UOVJLLAQRWUFOW-UHFFFAOYSA-N 1 0 488.558 4.016 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001359550129 1069858577 /nfs/dbraw/zinc/85/85/77/1069858577.db2.gz QFNSTLZFHMQTQE-UHFFFAOYSA-N 1 0 469.033 4.111 20 0 JIADRO CC(C)(C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359552641 1069862294 /nfs/dbraw/zinc/86/22/94/1069862294.db2.gz XFUIWMQVKDNHBK-UHFFFAOYSA-N 1 0 487.092 4.282 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359559474 1069881178 /nfs/dbraw/zinc/88/11/78/1069881178.db2.gz RACKELSQOXMRCF-UHFFFAOYSA-N 1 0 462.683 4.289 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCC2)C1 ZINC001359567450 1069913865 /nfs/dbraw/zinc/91/38/65/1069913865.db2.gz PWSVNBKHKHEXQI-DEOSSOPVSA-N 1 0 496.700 4.290 20 0 JIADRO CC(C)(C)Oc1ccc(Cn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)cn1 ZINC001359578440 1069990190 /nfs/dbraw/zinc/99/01/90/1069990190.db2.gz GCHNAUKQHOCKTF-HSZRJFAPSA-N 1 0 492.668 4.052 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001359582082 1070006137 /nfs/dbraw/zinc/00/61/37/1070006137.db2.gz VPYOBXCSJCCOMO-HXUWFJFHSA-N 1 0 459.610 4.266 20 0 JIADRO CC(C)(C)OCc1cc(Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)no1 ZINC001359583113 1070009520 /nfs/dbraw/zinc/00/95/20/1070009520.db2.gz FHZITWWYFYTCJA-UHFFFAOYSA-N 1 0 480.657 4.292 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359588542 1070024828 /nfs/dbraw/zinc/02/48/28/1070024828.db2.gz UERCSXPQTPPPKW-PLTNMMHCSA-N 1 0 464.079 4.210 20 0 JIADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359594931 1070043177 /nfs/dbraw/zinc/04/31/77/1070043177.db2.gz UFYDBSGZOFWEKZ-UHFFFAOYSA-N 1 0 493.656 4.289 20 0 JIADRO CC(C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359604928 1070064297 /nfs/dbraw/zinc/06/42/97/1070064297.db2.gz LCPNKYKGQDVPCF-SFHVURJKSA-N 1 0 450.052 4.059 20 0 JIADRO CC(C)=CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359610545 1070072781 /nfs/dbraw/zinc/07/27/81/1070072781.db2.gz GFIXHXLFWVQGBD-UHFFFAOYSA-N 1 0 468.665 4.359 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001359616460 1070085770 /nfs/dbraw/zinc/08/57/70/1070085770.db2.gz ZAEMWHMAIVBISQ-AREMUKBSSA-N 1 0 494.728 4.269 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359620690 1070095008 /nfs/dbraw/zinc/09/50/08/1070095008.db2.gz WQBKNQQYSVIEJS-LADGPHEKSA-N 1 0 466.674 4.341 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359622800 1070099389 /nfs/dbraw/zinc/09/93/89/1070099389.db2.gz JRRHLIGIHORNBP-FGZHOGPDSA-N 1 0 472.703 4.116 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359622595 1070099485 /nfs/dbraw/zinc/09/94/85/1070099485.db2.gz FLNIRNXGTMGNBF-HSZRJFAPSA-N 1 0 489.108 4.382 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359627317 1070127064 /nfs/dbraw/zinc/12/70/64/1070127064.db2.gz HKEUJGNCRNAQHY-QFIPXVFZSA-N 1 0 466.674 4.198 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359628494 1070132982 /nfs/dbraw/zinc/13/29/82/1070132982.db2.gz FFJBPGVKDANFEB-JOCHJYFZSA-N 1 0 486.730 4.184 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359630969 1070148155 /nfs/dbraw/zinc/14/81/55/1070148155.db2.gz KLORDCZXVAQUIW-DEOSSOPVSA-N 1 0 480.701 4.470 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359635303 1070164207 /nfs/dbraw/zinc/16/42/07/1070164207.db2.gz XMDDINDOHTZDGK-QFIPXVFZSA-N 1 0 493.071 4.457 20 0 JIADRO CC(C)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359646077 1070193950 /nfs/dbraw/zinc/19/39/50/1070193950.db2.gz JVKGJZATMSDZGY-UHFFFAOYSA-N 1 0 452.672 4.372 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359656461 1070235135 /nfs/dbraw/zinc/23/51/35/1070235135.db2.gz PZCJOHAGRXWTSG-CVDCTZTESA-N 1 0 497.713 4.025 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001359657463 1070245110 /nfs/dbraw/zinc/24/51/10/1070245110.db2.gz IJPQEWFBMWOMJJ-OAQYLSRUSA-N 1 0 476.463 4.037 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCCCC1)[NH+]1CCCC1 ZINC001359658423 1070255444 /nfs/dbraw/zinc/25/54/44/1070255444.db2.gz BITXSISWFDQSJR-QHCPKHFHSA-N 1 0 473.687 4.238 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001359658637 1070257668 /nfs/dbraw/zinc/25/76/68/1070257668.db2.gz GDDHTUQGOOMELX-ZFGGDYGUSA-N 1 0 469.674 4.213 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cnccn1)[NH+]1CCCC1 ZINC001359659131 1070263170 /nfs/dbraw/zinc/26/31/70/1070263170.db2.gz QBHLNKFFLJDDGF-OAQYLSRUSA-N 1 0 457.985 4.284 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1nccs1)[NH+]1CCOCC1 ZINC001359659062 1070262014 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/nfs/dbraw/zinc/26/85/28/1070268528.db2.gz DVHNNDSYENIYAF-GGAORHGYSA-N 1 0 497.688 4.202 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001359659802 1070268858 /nfs/dbraw/zinc/26/88/58/1070268858.db2.gz DVHNNDSYENIYAF-FYYLOGMGSA-N 1 0 497.688 4.202 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001359660076 1070269367 /nfs/dbraw/zinc/26/93/67/1070269367.db2.gz JJSXVOLYNHPVAB-JOCHJYFZSA-N 1 0 499.704 4.288 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359660270 1070271351 /nfs/dbraw/zinc/27/13/51/1070271351.db2.gz MTRCLGYYDPCISD-JOCHJYFZSA-N 1 0 497.688 4.344 20 0 JIADRO CC(C)[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CCC(F)(F)F)[NH+]1CCOCC1 ZINC001359661088 1070275947 /nfs/dbraw/zinc/27/59/47/1070275947.db2.gz CTVKYEATSGQOGQ-FQEVSTJZSA-N 1 0 464.536 4.172 20 0 JIADRO CC(C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359662273 1070282775 /nfs/dbraw/zinc/28/27/75/1070282775.db2.gz WMIHPNGITHWANB-YADHBBJMSA-N 1 0 489.064 4.368 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC001359663877 1070289868 /nfs/dbraw/zinc/28/98/68/1070289868.db2.gz WHLLWVHXJHAEHL-QHCPKHFHSA-N 1 0 454.663 4.003 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359664186 1070291236 /nfs/dbraw/zinc/29/12/36/1070291236.db2.gz AQWZZCUQBKNBKL-PKTZIBPZSA-N 1 0 454.663 4.168 20 0 JIADRO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359665460 1070296284 /nfs/dbraw/zinc/29/62/84/1070296284.db2.gz AIRZSCBGXXCYRZ-GOSISDBHSA-N 1 0 496.603 4.089 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665556 1070297051 /nfs/dbraw/zinc/29/70/51/1070297051.db2.gz CBLGGHYCWQLIKW-JOCHJYFZSA-N 1 0 460.617 4.301 20 0 JIADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359667070 1070303605 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/nfs/dbraw/zinc/32/72/59/1070327259.db2.gz CJAVRYRPVPDFDT-UXHICEINSA-N 1 0 485.608 4.102 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359676353 1070330450 /nfs/dbraw/zinc/33/04/50/1070330450.db2.gz GYAZDKBUKHCUAH-TXRXYBTHSA-N 1 0 487.714 4.371 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCCOC1CCOCC1 ZINC001359678954 1070334167 /nfs/dbraw/zinc/33/41/67/1070334167.db2.gz UMKKSVJGDBYICL-LADGPHEKSA-N 1 0 469.674 4.477 20 0 JIADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC(C)(C)c1ccccc1F ZINC001359679176 1070334273 /nfs/dbraw/zinc/33/42/73/1070334273.db2.gz ZNDFYHPLZHNZER-UHFFFAOYSA-N 1 0 467.637 4.316 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCCc1ccccc1F ZINC001359685712 1070342166 /nfs/dbraw/zinc/34/21/66/1070342166.db2.gz CRAVCXBCSJMQAB-XUZZJYLKSA-N 1 0 467.637 4.426 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359691129 1070347818 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INLAENIJQOMNBE-NRFANRHFSA-N 1 0 470.568 4.199 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CCCn1cc(Br)cn1 ZINC001359698860 1070360276 /nfs/dbraw/zinc/36/02/76/1070360276.db2.gz MZEQQUNTGJQOPP-NRFANRHFSA-N 1 0 486.462 4.162 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359704178 1070369562 /nfs/dbraw/zinc/36/95/62/1070369562.db2.gz CBVLYDBPRBTRKK-IBGZPJMESA-N 1 0 488.080 4.427 20 0 JIADRO CC(C)c1nnc(N2CCC=C(Br)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001359704829 1070370580 /nfs/dbraw/zinc/37/05/80/1070370580.db2.gz RMIMUWRHOYCMHI-UHFFFAOYSA-N 1 0 499.498 4.127 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001359707372 1070374928 /nfs/dbraw/zinc/37/49/28/1070374928.db2.gz RLSMVWJJNJLDRI-LJQANCHMSA-N 1 0 450.672 4.073 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359708012 1070376525 /nfs/dbraw/zinc/37/65/25/1070376525.db2.gz GVNUAFNCPNWKLI-UNMCSNQZSA-N 1 0 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COc1ccccc1-c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315595891 1064695688 /nfs/dbraw/zinc/69/56/88/1064695688.db2.gz JPJBLJLCGUDMHC-JAXLGGSGSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315595892 1064695807 /nfs/dbraw/zinc/69/58/07/1064695807.db2.gz JPJBLJLCGUDMHC-ONTIZHBOSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315597335 1064700363 /nfs/dbraw/zinc/70/03/63/1064700363.db2.gz CNKHOIJPRUXDTK-FQEVSTJZSA-N 1 0 455.647 4.061 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001315597562 1064700936 /nfs/dbraw/zinc/70/09/36/1064700936.db2.gz DDXVDICEIIKNTD-SANMLTNESA-N 1 0 483.682 4.480 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001315597918 1064701388 /nfs/dbraw/zinc/70/13/88/1064701388.db2.gz ICLFAVRADVBEFM-HKBOAZHASA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001315598574 1064701914 /nfs/dbraw/zinc/70/19/14/1064701914.db2.gz LUYGLFUUMHXPDC-JOCHJYFZSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001315604039 1064716380 /nfs/dbraw/zinc/71/63/80/1064716380.db2.gz FHSMGUSKDPGETR-UHFFFAOYSA-N 1 0 498.672 4.134 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001315604659 1064717733 /nfs/dbraw/zinc/71/77/33/1064717733.db2.gz KSPAMDSMCUFXTO-IRLDBZIGSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCOC(C)C ZINC001315605066 1064718573 /nfs/dbraw/zinc/71/85/73/1064718573.db2.gz RYCLJQTUHDMVRF-VXKWHMMOSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315605662 1064719995 /nfs/dbraw/zinc/71/99/95/1064719995.db2.gz WVPQPPCDMZFGIZ-JOCHJYFZSA-N 1 0 496.700 4.064 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCc1ccc(Cl)s1 ZINC001315606585 1064723502 /nfs/dbraw/zinc/72/35/02/1064723502.db2.gz HJTSCSOAMCPBLJ-UHFFFAOYSA-N 1 0 490.073 4.458 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315606708 1064723597 /nfs/dbraw/zinc/72/35/97/1064723597.db2.gz AVHZTCYJZDWYPN-OSOCVKALSA-N 1 0 498.672 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315607009 1064724186 /nfs/dbraw/zinc/72/41/86/1064724186.db2.gz DXVQORJOYVJEQR-FGYAAKKASA-N 1 0 477.600 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1(OC)CCC(C)CC1 ZINC001315607273 1064724579 /nfs/dbraw/zinc/72/45/79/1064724579.db2.gz OKDUJDLFYVITFY-UHFFFAOYSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1csc(C(C)C)n1 ZINC001315607674 1064725879 /nfs/dbraw/zinc/72/58/79/1064725879.db2.gz SXAWJJGNRBOSPW-UHFFFAOYSA-N 1 0 454.644 4.307 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315617706 1064747793 /nfs/dbraw/zinc/74/77/93/1064747793.db2.gz FYACOHKOXBBHIS-FCHUYYIVSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315617927 1064748289 /nfs/dbraw/zinc/74/82/89/1064748289.db2.gz KAQXQNFWUZQSFD-HXUWFJFHSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315621224 1064755224 /nfs/dbraw/zinc/75/52/24/1064755224.db2.gz CWIZOLOHASZOBB-FGZHOGPDSA-N 1 0 451.615 4.441 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315622376 1064758755 /nfs/dbraw/zinc/75/87/55/1064758755.db2.gz YTNIXZPIHDODFT-QFIPXVFZSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@]3(C2)CCCOC3)n1CCC[NH+](C(C)C)C(C)C ZINC001315623715 1064762540 /nfs/dbraw/zinc/76/25/40/1064762540.db2.gz BDKDVTCLBPGGBZ-MHZLTWQESA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001315625934 1064768676 /nfs/dbraw/zinc/76/86/76/1064768676.db2.gz RLUSPASVUFGZSG-UHFFFAOYSA-N 1 0 488.474 4.488 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315625985 1064769077 /nfs/dbraw/zinc/76/90/77/1064769077.db2.gz OYWVDHSMVKRRCW-AKFKNWHVSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)c1nc(C)cs1 ZINC001315626184 1064769331 /nfs/dbraw/zinc/76/93/31/1064769331.db2.gz ZINCIRQSVSEPPL-LJQANCHMSA-N 1 0 468.671 4.367 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001315631296 1064782721 /nfs/dbraw/zinc/78/27/21/1064782721.db2.gz MVPFTTGIGWLGLM-SFTDATJTSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315631707 1064783150 /nfs/dbraw/zinc/78/31/50/1064783150.db2.gz NTNMFESOKLHJLF-FXSPECFOSA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315632092 1064784367 /nfs/dbraw/zinc/78/43/67/1064784367.db2.gz AECXGFLAWAUXDS-RBISFHTESA-N 1 0 476.669 4.462 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315632090 1064784424 /nfs/dbraw/zinc/78/44/24/1064784424.db2.gz AECXGFLAWAUXDS-DWACAAAGSA-N 1 0 476.669 4.462 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001315632422 1064785665 /nfs/dbraw/zinc/78/56/65/1064785665.db2.gz SDQYCTCPDCZMKI-JOCHJYFZSA-N 1 0 495.590 4.157 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315632716 1064786110 /nfs/dbraw/zinc/78/61/10/1064786110.db2.gz XOHMDOOPABNYMN-FQEVSTJZSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2scnc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315647022 1064820580 /nfs/dbraw/zinc/82/05/80/1064820580.db2.gz ISWFZGDOWAHPRU-HXUWFJFHSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315653467 1064838242 /nfs/dbraw/zinc/83/82/42/1064838242.db2.gz JHQOTXVGRUHOTG-LEDOBFOHSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCc3sccc3C2)n1CCC[N@H+](C)C(C)C ZINC001315653883 1064839541 /nfs/dbraw/zinc/83/95/41/1064839541.db2.gz CEESYDDOGDVQGA-UHFFFAOYSA-N 1 0 455.628 4.220 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315658993 1064853862 /nfs/dbraw/zinc/85/38/62/1064853862.db2.gz QFVSBUABIXLMGA-JOCHJYFZSA-N 1 0 478.641 4.293 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315661617 1064861919 /nfs/dbraw/zinc/86/19/19/1064861919.db2.gz LPOMXBKQLRBYLX-HBMCJLEFSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315666905 1064885225 /nfs/dbraw/zinc/88/52/25/1064885225.db2.gz AIPRIFJEPNKWDV-UMEGOILYSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315667309 1064886145 /nfs/dbraw/zinc/88/61/45/1064886145.db2.gz CKECHVCTFPDLRM-HXUWFJFHSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315667818 1064889004 /nfs/dbraw/zinc/88/90/04/1064889004.db2.gz JBPCKGSSCPMYPC-PXNSSMCTSA-N 1 0 499.603 4.078 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315669649 1064897601 /nfs/dbraw/zinc/89/76/01/1064897601.db2.gz WNJYMSNFVCFHSR-PMACEKPBSA-N 1 0 459.660 4.069 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315684742 1064933787 /nfs/dbraw/zinc/93/37/87/1064933787.db2.gz CHUUGQMGBDHQPQ-QFBILLFUSA-N 1 0 479.467 4.161 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315691812 1064948453 /nfs/dbraw/zinc/94/84/53/1064948453.db2.gz KYESNHWVIYBUQN-UXHICEINSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001315697656 1064960596 /nfs/dbraw/zinc/96/05/96/1064960596.db2.gz RBFOWXKKJZJOQY-RBUKOAKNSA-N 1 0 474.403 4.219 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315698727 1064962410 /nfs/dbraw/zinc/96/24/10/1064962410.db2.gz XUSPXRRDPVIQQN-PXNSSMCTSA-N 1 0 450.002 4.473 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001315703312 1064968076 /nfs/dbraw/zinc/96/80/76/1064968076.db2.gz JDYGXNQRCHKAQM-GGAORHGYSA-N 1 0 499.700 4.225 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001315703314 1064968281 /nfs/dbraw/zinc/96/82/81/1064968281.db2.gz JDYGXNQRCHKAQM-GMAHTHKFSA-N 1 0 499.700 4.225 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001315703686 1064968384 /nfs/dbraw/zinc/96/83/84/1064968384.db2.gz KDEFLYZJBHXXEQ-UHFFFAOYSA-N 1 0 489.462 4.109 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001315705590 1064974989 /nfs/dbraw/zinc/97/49/89/1064974989.db2.gz QMJAKYVSGTTYOG-NRFANRHFSA-N 1 0 487.714 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(CCC(F)(F)F)CC2CC2)CC1 ZINC001315705789 1064975533 /nfs/dbraw/zinc/97/55/33/1064975533.db2.gz TZMRANLZUCEHOY-UHFFFAOYSA-N 1 0 482.595 4.342 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001315706024 1064976969 /nfs/dbraw/zinc/97/69/69/1064976969.db2.gz QQKWSQCMKHDFDV-UHFFFAOYSA-N 1 0 491.080 4.277 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001315706685 1064978824 /nfs/dbraw/zinc/97/88/24/1064978824.db2.gz VFPNGFCZWDJDRL-UHFFFAOYSA-N 1 0 485.702 4.035 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C(=O)NC(C)C)nnc3N(C)[C@H](C)c3ccccc3)CCCC2)CC1 ZINC001315707990 1064982660 /nfs/dbraw/zinc/98/26/60/1064982660.db2.gz BKGYQNYLCYOUAA-OAQYLSRUSA-N 1 0 482.673 4.037 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315708952 1064984737 /nfs/dbraw/zinc/98/47/37/1064984737.db2.gz YWFWFDIJDVQAGN-FNAHDJPLSA-N 1 0 461.695 4.322 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)[NH+](C)C)CC1(C)C ZINC001315712382 1064993404 /nfs/dbraw/zinc/99/34/04/1064993404.db2.gz KJMGQKZPKRMFFD-QFBILLFUSA-N 1 0 454.644 4.188 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001315712668 1064994653 /nfs/dbraw/zinc/99/46/53/1064994653.db2.gz LNPBWVLIWNAEGJ-FXAWDEMLSA-N 1 0 493.494 4.409 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC[C@@H]1C ZINC001315713773 1065000321 /nfs/dbraw/zinc/00/03/21/1065000321.db2.gz PNNXDCSDCLZSOZ-RZQQEMMASA-N 1 0 480.426 4.192 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001315714466 1065001281 /nfs/dbraw/zinc/00/12/81/1065001281.db2.gz BQYWEUDIZCIHNF-FXAWDEMLSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCC2)CC[C@@H]1C ZINC001315714389 1065001903 /nfs/dbraw/zinc/00/19/03/1065001903.db2.gz RVQRGUCPLFFYDI-LVCYWYKZSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001315714400 1065001953 /nfs/dbraw/zinc/00/19/53/1065001953.db2.gz RWYLUZJKEUCOQE-GOSISDBHSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001315714677 1065002965 /nfs/dbraw/zinc/00/29/65/1065002965.db2.gz QSHCIPNPNKHDAX-PWAGRJGVSA-N 1 0 494.105 4.370 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCCC2)CC[C@H]1C ZINC001315716645 1065006956 /nfs/dbraw/zinc/00/69/56/1065006956.db2.gz LAVNXDWRKAZNAZ-NQIIRXRSSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CC[C@H]1C ZINC001315719915 1065014247 /nfs/dbraw/zinc/01/42/47/1065014247.db2.gz UTOBGFVXJLJAEI-HZPDHXFCSA-N 1 0 470.481 4.361 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CC1(C)C ZINC001315720078 1065014296 /nfs/dbraw/zinc/01/42/96/1065014296.db2.gz VKMLQRQTFBLQOH-LJQANCHMSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCOCC2)CC1(C)C ZINC001315720580 1065015392 /nfs/dbraw/zinc/01/53/92/1065015392.db2.gz WYVUOZAAUWYFAT-IBGZPJMESA-N 1 0 482.456 4.224 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1(C)C ZINC001315727880 1065024084 /nfs/dbraw/zinc/02/40/84/1065024084.db2.gz AQRQXFWMGADWCT-PQNGQFLHSA-N 1 0 453.675 4.407 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[C@H]1C ZINC001315729009 1065025729 /nfs/dbraw/zinc/02/57/29/1065025729.db2.gz CLHNUBAKSYQXBG-JRFVFWCSSA-N 1 0 453.675 4.435 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC[C@H]1C ZINC001315735732 1065037349 /nfs/dbraw/zinc/03/73/49/1065037349.db2.gz MAUOQKVSNKVPHW-PQNGQFLHSA-N 1 0 467.614 4.231 20 0 JIADRO 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COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC(C)(C)C(F)(F)F ZINC001316210852 1065914965 /nfs/dbraw/zinc/91/49/65/1065914965.db2.gz ATCCIMSJBMLFLK-IBGZPJMESA-N 1 0 483.579 4.221 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001316217535 1065928812 /nfs/dbraw/zinc/92/88/12/1065928812.db2.gz IBLSHKXUIAURKF-GMAHTHKFSA-N 1 0 487.714 4.479 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cscc1C ZINC001316218494 1065931316 /nfs/dbraw/zinc/93/13/16/1065931316.db2.gz YIFBFPWJIVMAET-NHCUHLMSSA-N 1 0 469.655 4.131 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316220362 1065934689 /nfs/dbraw/zinc/93/46/89/1065934689.db2.gz JRJSMQZZDMOULY-LADGPHEKSA-N 1 0 485.673 4.153 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316220363 1065934804 /nfs/dbraw/zinc/93/48/04/1065934804.db2.gz JRJSMQZZDMOULY-UPVQGACJSA-N 1 0 485.673 4.153 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316222475 1065937019 /nfs/dbraw/zinc/93/70/19/1065937019.db2.gz UKZVHLJYHBKAEN-DNVJHFABSA-N 1 0 477.694 4.052 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316234410 1065964281 /nfs/dbraw/zinc/96/42/81/1065964281.db2.gz LKQFIIGWRKDZKP-XZOQPEGZSA-N 1 0 455.647 4.006 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316234456 1065964353 /nfs/dbraw/zinc/96/43/53/1065964353.db2.gz GWVZIMHGKXSTRQ-FYYLOGMGSA-N 1 0 461.695 4.153 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316234457 1065964544 /nfs/dbraw/zinc/96/45/44/1065964544.db2.gz GWVZIMHGKXSTRQ-GGAORHGYSA-N 1 0 461.695 4.153 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316242850 1065984204 /nfs/dbraw/zinc/98/42/04/1065984204.db2.gz PZOBUGLMSPDGMX-PKTZIBPZSA-N 1 0 459.610 4.010 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001316242915 1065984273 /nfs/dbraw/zinc/98/42/73/1065984273.db2.gz YWTHUNUQIUIFTQ-VXKWHMMOSA-N 1 0 499.700 4.342 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316250007 1065992136 /nfs/dbraw/zinc/99/21/36/1065992136.db2.gz RGIZBEWJJUQNNZ-ZFGGDYGUSA-N 1 0 487.664 4.006 20 0 JIADRO COCCOC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001316250682 1065993265 /nfs/dbraw/zinc/99/32/65/1065993265.db2.gz UZUSLBCFHBZVCF-JOCHJYFZSA-N 1 0 490.092 4.275 20 0 JIADRO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316251254 1065994280 /nfs/dbraw/zinc/99/42/80/1065994280.db2.gz HBXILRKEGYDWTP-RTWAWAEBSA-N 1 0 476.065 4.208 20 0 JIADRO COCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001316264655 1066010010 /nfs/dbraw/zinc/01/00/10/1066010010.db2.gz OBLKBQRNLORVMO-UXHICEINSA-N 1 0 494.055 4.491 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001316271068 1066016147 /nfs/dbraw/zinc/01/61/47/1066016147.db2.gz CRPCIAOOGDEATG-JHBZICRXSA-N 1 0 471.577 4.235 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316271638 1066017540 /nfs/dbraw/zinc/01/75/40/1066017540.db2.gz IPWFAZDTUMLBBC-SCWSEQNSSA-N 1 0 491.061 4.051 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316271704 1066017614 /nfs/dbraw/zinc/01/76/14/1066017614.db2.gz KSJPZSDVBLMSBR-NYVOZVTQSA-N 1 0 477.600 4.037 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CC[NH+]1CCC(C)CC1 ZINC001316273817 1066022116 /nfs/dbraw/zinc/02/21/16/1066022116.db2.gz KKTMTAJSWLQANM-UGKGYDQZSA-N 1 0 480.028 4.163 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316274757 1066024396 /nfs/dbraw/zinc/02/43/96/1066024396.db2.gz URVCTCVXTVEAKS-NWSQWKLXSA-N 1 0 473.637 4.461 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cccs2)n1CCC[NH+]1CCC(C)CC1 ZINC001316274474 1066024506 /nfs/dbraw/zinc/02/45/06/1066024506.db2.gz UIYKWRVXXOVVBW-ONTIZHBOSA-N 1 0 461.676 4.383 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccs2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316276825 1066029398 /nfs/dbraw/zinc/02/93/98/1066029398.db2.gz TZXHTYTWCZPUCX-NNWRFLSQSA-N 1 0 455.628 4.003 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316279627 1066033480 /nfs/dbraw/zinc/03/34/80/1066033480.db2.gz ACQSYMAENZVHGS-KJJMTIBFSA-N 1 0 461.695 4.385 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316280780 1066034878 /nfs/dbraw/zinc/03/48/78/1066034878.db2.gz HCWSQOALUSWLHD-RZFRIWOHSA-N 1 0 461.695 4.385 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1CC(C)(C)C[NH+](C)C ZINC001316284466 1066040624 /nfs/dbraw/zinc/04/06/24/1066040624.db2.gz XNKIDWRMAKCMIK-SJROBZAFSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001316289317 1066048271 /nfs/dbraw/zinc/04/82/71/1066048271.db2.gz AQSBSXOBBQTHKC-DYXWJJEUSA-N 1 0 469.621 4.138 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316293837 1066055575 /nfs/dbraw/zinc/05/55/75/1066055575.db2.gz WSHACTNMSNVPSL-ZJZGAYNASA-N 1 0 491.721 4.297 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@H](OC)C(C)(C)C ZINC001316295205 1066056439 /nfs/dbraw/zinc/05/64/39/1066056439.db2.gz XKVDNCSUWNRUIU-ZJZGAYNASA-N 1 0 491.721 4.156 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001316295935 1066056781 /nfs/dbraw/zinc/05/67/81/1066056781.db2.gz PTDPEEQRFFPLBP-PMVMPFDFSA-N 1 0 455.647 4.116 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001316295937 1066057060 /nfs/dbraw/zinc/05/70/60/1066057060.db2.gz PTDPEEQRFFPLBP-PUHATCMVSA-N 1 0 455.647 4.116 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316302284 1066062379 /nfs/dbraw/zinc/06/23/79/1066062379.db2.gz MEKMZGCBKFDQQV-ITEKTMBMSA-N 1 0 483.648 4.240 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316303067 1066063114 /nfs/dbraw/zinc/06/31/14/1066063114.db2.gz SIPNFLRVZFIKGN-OBKDMQGPSA-N 1 0 487.611 4.147 20 0 JIADRO CON(C)c1nnc(-c2ccccc2Br)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316306474 1066066083 /nfs/dbraw/zinc/06/60/83/1066066083.db2.gz MOBGENFHMJKHNQ-UHFFFAOYSA-N 1 0 457.376 4.057 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316314929 1066071173 /nfs/dbraw/zinc/07/11/73/1066071173.db2.gz VLTFRZHKJAEFFP-WOIUINJBSA-N 1 0 462.038 4.417 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316315152 1066071663 /nfs/dbraw/zinc/07/16/63/1066071663.db2.gz ZLUWJWFXZLYROH-QIJUGHKUSA-N 1 0 462.038 4.417 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001316320802 1066075830 /nfs/dbraw/zinc/07/58/30/1066075830.db2.gz FYTAZFBRAOZVKO-DNVJHFABSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CC[C@@H]2CN(c3nnc(Cc4c(F)cccc4F)n3CC[NH+](C(C)C)C(C)C)C[C@H]12 ZINC001316320996 1066076337 /nfs/dbraw/zinc/07/63/37/1066076337.db2.gz SSFREMSNHRZFGI-QMHWCDLVSA-N 1 0 461.601 4.127 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316324471 1066081038 /nfs/dbraw/zinc/08/10/38/1066081038.db2.gz XGSQBTQVTWMRHA-WMZOPIPTSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C1 ZINC001316327940 1066083581 /nfs/dbraw/zinc/08/35/81/1066083581.db2.gz DMWHLKXQALYUCE-SFHVURJKSA-N 1 0 468.429 4.265 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1OC ZINC001316329165 1066085003 /nfs/dbraw/zinc/08/50/03/1066085003.db2.gz OZRPBZRDZZCFQN-BJTUFNSYSA-N 1 0 499.700 4.395 20 0 JIADRO CSC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001316365775 1066106721 /nfs/dbraw/zinc/10/67/21/1066106721.db2.gz QVCIMIDSRXJLIJ-UXHICEINSA-N 1 0 491.677 4.247 20 0 JIADRO C[S@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001316367862 1066112481 /nfs/dbraw/zinc/11/24/81/1066112481.db2.gz YPPLKLKNQAHQJM-WYOOIXGGSA-N 1 0 471.715 4.106 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001316378037 1066144869 /nfs/dbraw/zinc/14/48/69/1066144869.db2.gz INSVJWLRTCWBPT-SQWLQELKSA-N 1 0 468.440 4.271 20 0 JIADRO CS[C@@H](C)Cn1c(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001316386730 1066157219 /nfs/dbraw/zinc/15/72/19/1066157219.db2.gz HKJZZNMWCDBSPZ-HBMCJLEFSA-N 1 0 457.688 4.045 20 0 JIADRO CS[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316390737 1066163890 /nfs/dbraw/zinc/16/38/90/1066163890.db2.gz UTMCMGLINMJDRK-UXHICEINSA-N 1 0 492.734 4.209 20 0 JIADRO CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396165 1066172923 /nfs/dbraw/zinc/17/29/23/1066172923.db2.gz RYWBGONMOQQTMO-YADHBBJMSA-N 1 0 456.704 4.354 20 0 JIADRO CS[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)(C)C ZINC001316397111 1066174774 /nfs/dbraw/zinc/17/47/74/1066174774.db2.gz LTXXLWPAUXOBQE-JOCHJYFZSA-N 1 0 457.688 4.271 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001316403000 1066182448 /nfs/dbraw/zinc/18/24/48/1066182448.db2.gz FRMLRTAXJMRXST-UHFFFAOYSA-N 1 0 450.052 4.041 20 0 JIADRO CSC1(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccccc2Cl)CC[NH+](C)CC1 ZINC001316404134 1066185607 /nfs/dbraw/zinc/18/56/07/1066185607.db2.gz OVYLCRMNIYPDJR-UHFFFAOYSA-N 1 0 459.063 4.401 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2scnc2C)CC[NH+](C)CC1 ZINC001316406934 1066190595 /nfs/dbraw/zinc/19/05/95/1066190595.db2.gz JKDQLAYXXMJNQV-UHFFFAOYSA-N 1 0 474.675 4.237 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccs3)CC2)CC[NH+](C)CC1 ZINC001316408760 1066193337 /nfs/dbraw/zinc/19/33/37/1066193337.db2.gz VLGOIMPAPIBIQM-UHFFFAOYSA-N 1 0 462.733 4.082 20 0 JIADRO CSC1(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC001316408865 1066194207 /nfs/dbraw/zinc/19/42/07/1066194207.db2.gz RSUCJQZJORCUIS-UHFFFAOYSA-N 1 0 471.074 4.381 20 0 JIADRO CSC1(Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316410582 1066198587 /nfs/dbraw/zinc/19/85/87/1066198587.db2.gz XQLYAIJUAGPMRJ-LJQANCHMSA-N 1 0 461.651 4.450 20 0 JIADRO CSC1(Cn2c(CCCc3ccccc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316410368 1066198728 /nfs/dbraw/zinc/19/87/28/1066198728.db2.gz XUBPKVQQMYOSKM-NRFANRHFSA-N 1 0 471.715 4.285 20 0 JIADRO CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC[NH+](C)CC1 ZINC001316410621 1066199264 /nfs/dbraw/zinc/19/92/64/1066199264.db2.gz ZHOQOHVFQKNUFK-CTNGQTDRSA-N 1 0 461.651 4.096 20 0 JIADRO CSC1(Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411488 1066200317 /nfs/dbraw/zinc/20/03/17/1066200317.db2.gz ODSPIZHHNUMNQY-AREMUKBSSA-N 1 0 491.746 4.329 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2)CC[NH+](C)CC1 ZINC001316411207 1066200360 /nfs/dbraw/zinc/20/03/60/1066200360.db2.gz MMVPJBDRQPGCGT-UHFFFAOYSA-N 1 0 456.685 4.098 20 0 JIADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)CC[NH+](C)CC1 ZINC001316412507 1066202857 /nfs/dbraw/zinc/20/28/57/1066202857.db2.gz NNEBGVWBLMRESU-LJQANCHMSA-N 1 0 481.613 4.195 20 0 JIADRO CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001316420438 1066224983 /nfs/dbraw/zinc/22/49/83/1066224983.db2.gz GPOBVUUVZQPMGY-SFTDATJTSA-N 1 0 488.721 4.381 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001316420949 1066226410 /nfs/dbraw/zinc/22/64/10/1066226410.db2.gz BCJXHOWLKRLMDX-YADHBBJMSA-N 1 0 493.681 4.259 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCC2)C1 ZINC001316422628 1066231687 /nfs/dbraw/zinc/23/16/87/1066231687.db2.gz JMQPKZWBGPFEOZ-GOSISDBHSA-N 1 0 481.508 4.254 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001316422966 1066232938 /nfs/dbraw/zinc/23/29/38/1066232938.db2.gz KURQSVAKIOBJSF-AEFFLSMTSA-N 1 0 467.481 4.098 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001316423392 1066234856 /nfs/dbraw/zinc/23/48/56/1066234856.db2.gz RDRORYJFHNAJPA-QHCPKHFHSA-N 1 0 484.714 4.125 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316424771 1066240944 /nfs/dbraw/zinc/24/09/44/1066240944.db2.gz WTKQMJUCORGDOL-UWJYYQICSA-N 1 0 467.108 4.153 20 0 JIADRO Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)c2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC001325261246 1066242861 /nfs/dbraw/zinc/24/28/61/1066242861.db2.gz MAMHLJBVSGCEPW-UHFFFAOYSA-N 1 0 461.587 4.460 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492499339 1066246035 /nfs/dbraw/zinc/24/60/35/1066246035.db2.gz MSXLBMDSYNUHJO-QHCPKHFHSA-N 1 0 469.033 4.295 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427026 1066250134 /nfs/dbraw/zinc/25/01/34/1066250134.db2.gz FEPUNBULTNRAED-XZOQPEGZSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001316428662 1066256512 /nfs/dbraw/zinc/25/65/12/1066256512.db2.gz VCJGZGNKLJWDOU-QFIPXVFZSA-N 1 0 480.682 4.359 20 0 JIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001325705756 1066265088 /nfs/dbraw/zinc/26/50/88/1066265088.db2.gz ONRZHCWVXRNUAI-VWLOTQADSA-N 1 0 464.610 4.065 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316432320 1066273386 /nfs/dbraw/zinc/27/33/86/1066273386.db2.gz UYXSYMPTBCGENT-VQTJNVASSA-N 1 0 461.651 4.450 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[NH+](C)C ZINC001316436536 1066288921 /nfs/dbraw/zinc/28/89/21/1066288921.db2.gz LOWOFEFHDNSAJV-HIFRSBDPSA-N 1 0 456.429 4.129 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001316436799 1066289781 /nfs/dbraw/zinc/28/97/81/1066289781.db2.gz OFOZETQOQFVXFC-DOTOQJQBSA-N 1 0 452.466 4.298 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3csc(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001492500932 1066290038 /nfs/dbraw/zinc/29/00/38/1066290038.db2.gz XTLXSJOQNALTDE-SFHVURJKSA-N 1 0 475.460 4.449 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001316437912 1066291611 /nfs/dbraw/zinc/29/16/11/1066291611.db2.gz SHERSNSNGKXJCE-RTBURBONSA-N 1 0 482.069 4.306 20 0 JIADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326379900 1066294152 /nfs/dbraw/zinc/29/41/52/1066294152.db2.gz KGJDKNIYBXULRH-UHFFFAOYSA-N 1 0 486.447 4.407 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)o1 ZINC001326382776 1066294942 /nfs/dbraw/zinc/29/49/42/1066294942.db2.gz XGCFFIAGINQSME-UHFFFAOYSA-N 1 0 455.562 4.123 20 0 JIADRO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001326471167 1066298768 /nfs/dbraw/zinc/29/87/68/1066298768.db2.gz QWSNDWLLQXMMLD-AREMUKBSSA-N 1 0 492.664 4.097 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)cc1 ZINC001326563885 1066300625 /nfs/dbraw/zinc/30/06/25/1066300625.db2.gz VGEYXQKOZAFEAX-UHFFFAOYSA-N 1 0 462.472 4.390 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001316442694 1066305130 /nfs/dbraw/zinc/30/51/30/1066305130.db2.gz TWQYSQXOYKLWPE-NRFANRHFSA-N 1 0 457.688 4.496 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001316442999 1066306501 /nfs/dbraw/zinc/30/65/01/1066306501.db2.gz WIZCIDIJECLWNZ-UNMCSNQZSA-N 1 0 459.708 4.126 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316443551 1066308261 /nfs/dbraw/zinc/30/82/61/1066308261.db2.gz DAJSFCGXBAAKNH-ZWKOTPCHSA-N 1 0 476.691 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC001327056891 1066310217 /nfs/dbraw/zinc/31/02/17/1066310217.db2.gz QTMYCCPIRAKPBR-DHIUTWEWSA-N 1 0 454.615 4.147 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001327091510 1066310812 /nfs/dbraw/zinc/31/08/12/1066310812.db2.gz VMRPRGGKMGSPFV-QZTJIDSGSA-N 1 0 460.447 4.407 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2Cl)CC1 ZINC001327151001 1066311052 /nfs/dbraw/zinc/31/10/52/1066311052.db2.gz QZHRMLDHLSPOKS-UHFFFAOYSA-N 1 0 494.057 4.120 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001327149904 1066311188 /nfs/dbraw/zinc/31/11/88/1066311188.db2.gz AYZXBUBCRFQJBH-UHFFFAOYSA-N 1 0 483.556 4.453 20 0 JIADRO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)cc1OCC(N)=O ZINC001327213073 1066313688 /nfs/dbraw/zinc/31/36/88/1066313688.db2.gz MQLMXUATQFCYMA-QHCPKHFHSA-N 1 0 455.352 4.201 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316445434 1066315331 /nfs/dbraw/zinc/31/53/31/1066315331.db2.gz PZARGPSPKAWIBJ-HXUWFJFHSA-N 1 0 497.713 4.148 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)CC2)cc1 ZINC001327320778 1066315570 /nfs/dbraw/zinc/31/55/70/1066315570.db2.gz KJMLZPZGAFRUCN-UHFFFAOYSA-N 1 0 494.039 4.397 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492503713 1066316154 /nfs/dbraw/zinc/31/61/54/1066316154.db2.gz SJFLOTVLNUCIOV-QHCPKHFHSA-N 1 0 466.605 4.423 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001316448651 1066324019 /nfs/dbraw/zinc/32/40/19/1066324019.db2.gz WWDBTYYGMDLUTH-BXKMTCNYSA-N 1 0 489.686 4.457 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316449695 1066327332 /nfs/dbraw/zinc/32/73/32/1066327332.db2.gz IWZOANGQNOJQSM-MIZPHKNDSA-N 1 0 473.687 4.489 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1([NH+](C)C)CCCCC1 ZINC001316450785 1066329590 /nfs/dbraw/zinc/32/95/90/1066329590.db2.gz OQEMESDYDVQWOM-HXUWFJFHSA-N 1 0 469.703 4.359 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)C2)ccn1 ZINC001328858938 1066330311 /nfs/dbraw/zinc/33/03/11/1066330311.db2.gz TZOYWSIFBMJUIL-XZOQPEGZSA-N 1 0 474.646 4.081 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316452659 1066334691 /nfs/dbraw/zinc/33/46/91/1066334691.db2.gz XNARPFAIMQJDGA-SFTDATJTSA-N 1 0 469.703 4.215 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492510375 1066340909 /nfs/dbraw/zinc/34/09/09/1066340909.db2.gz PJULZBNJVNEBPL-FYYLOGMGSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492510639 1066341287 /nfs/dbraw/zinc/34/12/87/1066341287.db2.gz YKIZCYWEZGKJAN-FQEVSTJZSA-N 1 0 483.661 4.016 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccccc3SCc3cscn3)cc2)CC1 ZINC001330455134 1066349766 /nfs/dbraw/zinc/34/97/66/1066349766.db2.gz SVNDBXHHTNPNMF-UHFFFAOYSA-N 1 0 496.658 4.373 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(F)c3Br)C2)ccn1 ZINC001331003126 1066355150 /nfs/dbraw/zinc/35/51/50/1066355150.db2.gz PFSKFJZSAYFWJV-QGZVFWFLSA-N 1 0 450.352 4.117 20 0 JIADRO CSCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001316463243 1066360659 /nfs/dbraw/zinc/36/06/59/1066360659.db2.gz QIPFEKDQVSYVNB-UHFFFAOYSA-N 1 0 450.656 4.038 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@@](C)(O)c2ccccc2)n1 ZINC001492516713 1066365763 /nfs/dbraw/zinc/36/57/63/1066365763.db2.gz UVNXFOOBNAOSKM-HHHXNRCGSA-N 1 0 462.642 4.257 20 0 JIADRO CSCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316466941 1066370825 /nfs/dbraw/zinc/37/08/25/1066370825.db2.gz YHCGOZHKQUGTKV-FQEVSTJZSA-N 1 0 478.707 4.025 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492517656 1066374172 /nfs/dbraw/zinc/37/41/72/1066374172.db2.gz ZXGMGZRINVAKHG-UHFFFAOYSA-N 1 0 460.504 4.126 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492520855 1066387989 /nfs/dbraw/zinc/38/79/89/1066387989.db2.gz WNHGYJYXHPKNTO-QFQXNSOFSA-N 1 0 454.663 4.410 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001316487237 1066409582 /nfs/dbraw/zinc/40/95/82/1066409582.db2.gz JVZPJAUYVDHNNL-UXHICEINSA-N 1 0 486.661 4.451 20 0 JIADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1F ZINC001316487252 1066409885 /nfs/dbraw/zinc/40/98/85/1066409885.db2.gz KALRLBYBDPLKIT-XPGWFJOJSA-N 1 0 491.036 4.020 20 0 JIADRO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492527356 1066421089 /nfs/dbraw/zinc/42/10/89/1066421089.db2.gz ZKJVNEGJTKJBNA-UHFFFAOYSA-N 1 0 462.642 4.156 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490303 1066423864 /nfs/dbraw/zinc/42/38/64/1066423864.db2.gz QCKXBQYAOFXGNV-HBGVWJBISA-N 1 0 476.522 4.341 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490758 1066425629 /nfs/dbraw/zinc/42/56/29/1066425629.db2.gz CJNRWSDQLGKLPY-IDHHARJASA-N 1 0 479.938 4.326 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316490759 1066425771 /nfs/dbraw/zinc/42/57/71/1066425771.db2.gz CJNRWSDQLGKLPY-OGWOLHLISA-N 1 0 479.938 4.326 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)C1(F)F ZINC001316493348 1066434936 /nfs/dbraw/zinc/43/49/36/1066434936.db2.gz NJOWBSGWPZSTKA-KDURUIRLSA-N 1 0 470.568 4.056 20 0 JIADRO O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)N[C@H]1C[NH+]2CCC1CC2 ZINC001336581664 1066440692 /nfs/dbraw/zinc/44/06/92/1066440692.db2.gz FBYXHOLZPUZBLL-FQEVSTJZSA-N 1 0 474.552 4.406 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001336699519 1066444158 /nfs/dbraw/zinc/44/41/58/1066444158.db2.gz MKCCIACUHPFPDX-UHFFFAOYSA-N 1 0 452.661 4.385 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001316497064 1066448411 /nfs/dbraw/zinc/44/84/11/1066448411.db2.gz PYHYQEXHMIHIJX-QKLQHJQFSA-N 1 0 476.463 4.442 20 0 JIADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316497471 1066449359 /nfs/dbraw/zinc/44/93/59/1066449359.db2.gz GGCRNUUDWGOYHZ-VWNXMTODSA-N 1 0 496.700 4.289 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001316502547 1066465731 /nfs/dbraw/zinc/46/57/31/1066465731.db2.gz LZHNHBRIFLPLMC-JQVVWYNYSA-N 1 0 459.610 4.120 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504502 1066474549 /nfs/dbraw/zinc/47/45/49/1066474549.db2.gz MMKUUCUFFDSCAT-HBMCJLEFSA-N 1 0 474.719 4.020 20 0 JIADRO FC(F)(F)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCCCCC[NH+]2CCCC2)CCO1 ZINC001316509248 1066491200 /nfs/dbraw/zinc/49/12/00/1066491200.db2.gz BQGSJDRILFNHPP-FQEVSTJZSA-N 1 0 466.552 4.154 20 0 JIADRO Cc1ccc(C)c(-n2c3nn(CN4CC[NH+](C(C)(C)C)CC4)c(=S)n3c3ccccc3c2=O)c1 ZINC001337561553 1066493271 /nfs/dbraw/zinc/49/32/71/1066493271.db2.gz BGINVVUPMIDVNZ-UHFFFAOYSA-N 1 0 476.650 4.160 20 0 JIADRO FC(F)(F)SCCn1c(Cc2ccsc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001316516371 1066513470 /nfs/dbraw/zinc/51/34/70/1066513470.db2.gz DBFSXIDBQGXGIC-UHFFFAOYSA-N 1 0 489.633 4.265 20 0 JIADRO FC(F)COCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316517804 1066519128 /nfs/dbraw/zinc/51/91/28/1066519128.db2.gz ABOCBFDMIYUKNM-HXUWFJFHSA-N 1 0 462.589 4.104 20 0 JIADRO Cc1ccc2[nH]c(C(=O)N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c(Cl)c2c1 ZINC001338087432 1066529930 /nfs/dbraw/zinc/52/99/30/1066529930.db2.gz BNZGURHXRLHZLA-LJQANCHMSA-N 1 0 452.002 4.199 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001338247948 1066540232 /nfs/dbraw/zinc/54/02/32/1066540232.db2.gz NOIYKLVUPKCCKA-UHFFFAOYSA-N 1 0 456.034 4.138 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c2)CC1 ZINC001338478388 1066558198 /nfs/dbraw/zinc/55/81/98/1066558198.db2.gz SJRVZHYRZDNJMV-UHFFFAOYSA-N 1 0 486.642 4.039 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)CC1 ZINC001338476243 1066558448 /nfs/dbraw/zinc/55/84/48/1066558448.db2.gz KBYQOYGRAIPSOT-JOCHJYFZSA-N 1 0 463.651 4.133 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CC1 ZINC001338557995 1066563763 /nfs/dbraw/zinc/56/37/63/1066563763.db2.gz RYKBRKNCOPHUKB-UHFFFAOYSA-N 1 0 492.620 4.238 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC001338544083 1066563955 /nfs/dbraw/zinc/56/39/55/1066563955.db2.gz UCIHGPVNPZWFBT-POURPWNDSA-N 1 0 496.655 4.235 20 0 JIADRO O=C(C1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC001316558731 1066575957 /nfs/dbraw/zinc/57/59/57/1066575957.db2.gz SMUYEKKWSBAPGC-UHFFFAOYSA-N 1 0 469.577 4.154 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001339431666 1066577903 /nfs/dbraw/zinc/57/79/03/1066577903.db2.gz RFOZCQDTXAEAAX-QDSKXPNFSA-N 1 0 467.585 4.386 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001492534756 1066582817 /nfs/dbraw/zinc/58/28/17/1066582817.db2.gz MVUBZORCIFTKMI-FQEVSTJZSA-N 1 0 468.646 4.042 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492537469 1066593825 /nfs/dbraw/zinc/59/38/25/1066593825.db2.gz YZWFIPPHCWVQKY-JTHBVZDNSA-N 1 0 467.614 4.313 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316590915 1066620130 /nfs/dbraw/zinc/62/01/30/1066620130.db2.gz YLJKNEWRFXPWEL-GOSISDBHSA-N 1 0 484.859 4.268 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 ZINC001317741413 1066659822 /nfs/dbraw/zinc/65/98/22/1066659822.db2.gz CDSSFGUHSPSVLR-UHFFFAOYSA-N 1 0 491.657 4.477 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001492543116 1066663894 /nfs/dbraw/zinc/66/38/94/1066663894.db2.gz APLUOAVEUORBRZ-IBGZPJMESA-N 1 0 494.467 4.302 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001492543117 1066664054 /nfs/dbraw/zinc/66/40/54/1066664054.db2.gz APLUOAVEUORBRZ-LJQANCHMSA-N 1 0 494.467 4.302 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)cc(Br)c3OC)c(C)c2)CC1 ZINC001317749802 1066665916 /nfs/dbraw/zinc/66/59/16/1066665916.db2.gz YFGQGJDCCORULM-UHFFFAOYSA-N 1 0 462.388 4.169 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001492543709 1066668912 /nfs/dbraw/zinc/66/89/12/1066668912.db2.gz VEAYVWGHTNIDKR-DEOSSOPVSA-N 1 0 469.674 4.275 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001492544060 1066679029 /nfs/dbraw/zinc/67/90/29/1066679029.db2.gz FTKMLPOEDPRKSX-RTWAWAEBSA-N 1 0 495.590 4.181 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)c2)n1 ZINC001317843638 1066726826 /nfs/dbraw/zinc/72/68/26/1066726826.db2.gz CNTIMYNPIBTRQL-HSZRJFAPSA-N 1 0 477.565 4.016 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492545235 1066732324 /nfs/dbraw/zinc/73/23/24/1066732324.db2.gz IVXDQWNRFLJMAD-ZJSXRUAMSA-N 1 0 455.647 4.149 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccccc1 ZINC001348429352 1066743784 /nfs/dbraw/zinc/74/37/84/1066743784.db2.gz RNMROEJHKCWAHZ-QHCPKHFHSA-N 1 0 451.611 4.248 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccccc1 ZINC001348429351 1066743948 /nfs/dbraw/zinc/74/39/48/1066743948.db2.gz RNMROEJHKCWAHZ-HSZRJFAPSA-N 1 0 451.611 4.248 20 0 JIADRO C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001348475485 1066747450 /nfs/dbraw/zinc/74/74/50/1066747450.db2.gz FVORWMIOOQDKOS-DYESRHJHSA-N 1 0 484.021 4.323 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC001317883205 1066752743 /nfs/dbraw/zinc/75/27/43/1066752743.db2.gz LPBIPEOGHCJHEQ-UHFFFAOYSA-N 1 0 484.666 4.218 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2)cc1 ZINC001317886503 1066755857 /nfs/dbraw/zinc/75/58/57/1066755857.db2.gz JXJVULQTLFCCQQ-UHFFFAOYSA-N 1 0 487.442 4.334 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001492545733 1066756890 /nfs/dbraw/zinc/75/68/90/1066756890.db2.gz OUTFBSJFKUZFFW-XZOQPEGZSA-N 1 0 455.647 4.290 20 0 JIADRO O=C(NCCNC(=O)c1ccccc1C(F)(F)F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001317888474 1066758411 /nfs/dbraw/zinc/75/84/11/1066758411.db2.gz DRQYGHOSQBRDFQ-HXUWFJFHSA-N 1 0 482.934 4.225 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)c2)CC1 ZINC001317889226 1066758874 /nfs/dbraw/zinc/75/88/74/1066758874.db2.gz HAYAJRQLCSTACO-UHFFFAOYSA-N 1 0 494.599 4.248 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317889999 1066759580 /nfs/dbraw/zinc/75/95/80/1066759580.db2.gz XHAJYFOVODOEEX-GOSISDBHSA-N 1 0 476.543 4.309 20 0 JIADRO COc1ccc(-n2c(=S)n(CN3CC[NH+](C(C)(C)C)CC3)nc2-c2ccccc2OC)cc1 ZINC001317891205 1066760513 /nfs/dbraw/zinc/76/05/13/1066760513.db2.gz QESUSMBVCZXZKC-UHFFFAOYSA-N 1 0 467.639 4.461 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001317899885 1066770240 /nfs/dbraw/zinc/77/02/40/1066770240.db2.gz XXHYBMVYKNNWKN-IBGZPJMESA-N 1 0 469.611 4.164 20 0 JIADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001348884804 1066785548 /nfs/dbraw/zinc/78/55/48/1066785548.db2.gz RJFQCZYAGNZRNT-UHFFFAOYSA-N 1 0 451.405 4.068 20 0 JIADRO O[C@@H](C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)COc1cccc(Br)c1 ZINC001348968025 1066794728 /nfs/dbraw/zinc/79/47/28/1066794728.db2.gz VYYAZBRKXKESRP-UGKGYDQZSA-N 1 0 456.384 4.101 20 0 JIADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC001349249101 1066824007 /nfs/dbraw/zinc/82/40/07/1066824007.db2.gz HOAPZJGMQIUZKY-IRLDBZIGSA-N 1 0 457.571 4.197 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001317976662 1066827641 /nfs/dbraw/zinc/82/76/41/1066827641.db2.gz OFASWQSBAFLAPT-JOCHJYFZSA-N 1 0 460.626 4.054 20 0 JIADRO CC[NH+](CC)CCn1c(NC(=O)c2ccc(-c3ccccc3OC)[nH]c2=O)nc2ccccc21 ZINC001349391040 1066836446 /nfs/dbraw/zinc/83/64/46/1066836446.db2.gz DDICIDLLBZIQOZ-UHFFFAOYSA-N 1 0 459.550 4.407 20 0 JIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1nn(-c2ccccc2F)cc1Br ZINC001318009450 1066849580 /nfs/dbraw/zinc/84/95/80/1066849580.db2.gz NRODCOOJFHYTFV-UHFFFAOYSA-N 1 0 471.374 4.416 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)CC1 ZINC001318013960 1066851671 /nfs/dbraw/zinc/85/16/71/1066851671.db2.gz YVOSHMABBSVVEG-UHFFFAOYSA-N 1 0 476.042 4.038 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001318044157 1066867866 /nfs/dbraw/zinc/86/78/66/1066867866.db2.gz BJLGJTGFAWGAKU-DEOSSOPVSA-N 1 0 467.564 4.360 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001318057682 1066875952 /nfs/dbraw/zinc/87/59/52/1066875952.db2.gz RKOMCEKIWVYLBI-HNNXBMFYSA-N 1 0 470.422 4.256 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001318061092 1066878445 /nfs/dbraw/zinc/87/84/45/1066878445.db2.gz YVTQMDXBVHQEKM-UHFFFAOYSA-N 1 0 454.578 4.406 20 0 JIADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001318063921 1066881040 /nfs/dbraw/zinc/88/10/40/1066881040.db2.gz KDHVRKYMWYKIKS-UHFFFAOYSA-N 1 0 455.562 4.168 20 0 JIADRO O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318074698 1066886451 /nfs/dbraw/zinc/88/64/51/1066886451.db2.gz XNFDSRSMQNPATC-NRFANRHFSA-N 1 0 468.026 4.377 20 0 JIADRO O=C(COc1cc(-c2ccccc2)sc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC001318074379 1066886476 /nfs/dbraw/zinc/88/64/76/1066886476.db2.gz PCNJZIUXAADKMM-NRFANRHFSA-N 1 0 467.635 4.117 20 0 JIADRO O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318078783 1066888466 /nfs/dbraw/zinc/88/84/66/1066888466.db2.gz VIRFXLFQRZTPSF-NRFANRHFSA-N 1 0 490.583 4.474 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084776 1066892529 /nfs/dbraw/zinc/89/25/29/1066892529.db2.gz VJBBAEWZFWBUGR-ZBKJKTKLSA-N 1 0 479.621 4.036 20 0 JIADRO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001318103085 1066900848 /nfs/dbraw/zinc/90/08/48/1066900848.db2.gz QKOVRMORAMUUFL-NAKRPHOHSA-N 1 0 480.612 4.359 20 0 JIADRO O=C(NC1CC1)[C@@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001318119491 1066909464 /nfs/dbraw/zinc/90/94/64/1066909464.db2.gz IORAXPWJBQDOPC-XMMPIXPASA-N 1 0 460.622 4.150 20 0 JIADRO COC(=O)/C=C\c1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)o1 ZINC001350123861 1066920981 /nfs/dbraw/zinc/92/09/81/1066920981.db2.gz SEPFJFOSSUQSPW-OWBHPGMISA-N 1 0 459.546 4.036 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(c4cccs4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492547440 1066921542 /nfs/dbraw/zinc/92/15/42/1066921542.db2.gz ZDYFHAWFCYGBDO-UHFFFAOYSA-N 1 0 468.671 4.141 20 0 JIADRO CCOC(=O)N1CCC(OC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 ZINC001350131944 1066922144 /nfs/dbraw/zinc/92/21/44/1066922144.db2.gz KVSLOWXWAJHXFE-SHQCIBLASA-N 1 0 450.579 4.240 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O)c1ccccc1 ZINC001350226186 1066933777 /nfs/dbraw/zinc/93/37/77/1066933777.db2.gz NZCKOIGSNOKHGW-STLXWTDXSA-N 1 0 451.592 4.231 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318173181 1066939141 /nfs/dbraw/zinc/93/91/41/1066939141.db2.gz LQBGAELCWKBIAO-GNMGOMLTSA-N 1 0 463.622 4.336 20 0 JIADRO Cc1ccc([C@H](CNC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)[NH+]2CCCC2)cc1 ZINC001318187330 1066947172 /nfs/dbraw/zinc/94/71/72/1066947172.db2.gz VUPHFCSLBWRWIF-QFIPXVFZSA-N 1 0 458.587 4.298 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318203332 1066956166 /nfs/dbraw/zinc/95/61/66/1066956166.db2.gz RHHCZQCRLYIMMS-JOCHJYFZSA-N 1 0 476.543 4.083 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492547833 1066974141 /nfs/dbraw/zinc/97/41/41/1066974141.db2.gz LCAHBJMJMKGXKE-FQEVSTJZSA-N 1 0 469.552 4.052 20 0 JIADRO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC001318234552 1066975623 /nfs/dbraw/zinc/97/56/23/1066975623.db2.gz MDSDAZGKYMYUBK-UHFFFAOYSA-N 1 0 457.622 4.223 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(N4CCc5sccc5C4)cc3)c2)CC1 ZINC001318234794 1066975947 /nfs/dbraw/zinc/97/59/47/1066975947.db2.gz OIFUUOORUNUWDF-UHFFFAOYSA-N 1 0 475.662 4.380 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)C1 ZINC001318251176 1066983963 /nfs/dbraw/zinc/98/39/63/1066983963.db2.gz WVDPTYRVLTZXQP-INIZCTEOSA-N 1 0 474.399 4.172 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC001318271444 1066995119 /nfs/dbraw/zinc/99/51/19/1066995119.db2.gz FGZBGKWSJWUDFX-UHFFFAOYSA-N 1 0 458.566 4.404 20 0 JIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(OC)cc(Br)c2OC)cc1 ZINC001318272464 1066995646 /nfs/dbraw/zinc/99/56/46/1066995646.db2.gz HYQJKLHZEMGAQD-UHFFFAOYSA-N 1 0 451.361 4.439 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1 ZINC001318279901 1066999607 /nfs/dbraw/zinc/99/96/07/1066999607.db2.gz GMQQRGOBRGXZSG-UHFFFAOYSA-N 1 0 481.394 4.318 20 0 JIADRO CN1CC[N@H+](CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC001318299078 1067007438 /nfs/dbraw/zinc/00/74/38/1067007438.db2.gz XHBGCUREJZLUQK-RUZDIDTESA-N 1 0 470.061 4.305 20 0 JIADRO CN(C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318303674 1067008270 /nfs/dbraw/zinc/00/82/70/1067008270.db2.gz FZTSLMRTEWQTHF-UHFFFAOYSA-N 1 0 491.615 4.376 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200739021 1067016896 /nfs/dbraw/zinc/01/68/96/1067016896.db2.gz NLLXLFTZNONNGN-BJKOFHAPSA-N 1 0 459.615 4.438 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)NCC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001200739347 1067018473 /nfs/dbraw/zinc/01/84/73/1067018473.db2.gz ONMQBTMKVOIIHQ-UHFFFAOYSA-N 1 0 476.440 4.054 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)OC ZINC001300683645 1067020763 /nfs/dbraw/zinc/02/07/63/1067020763.db2.gz LXPUVVUXJTXLSY-IBGZPJMESA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@](C)(O)CCC(C)C ZINC001300683808 1067022141 /nfs/dbraw/zinc/02/21/41/1067022141.db2.gz NFIVBLTVZPTBSS-QFQXNSOFSA-N 1 0 487.714 4.441 20 0 JIADRO COc1cc(I)ccc1C(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC001354661796 1067027229 /nfs/dbraw/zinc/02/72/29/1067027229.db2.gz KEOZMLQTDQGUAW-UHFFFAOYSA-N 1 0 450.320 4.041 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC001318362517 1067031429 /nfs/dbraw/zinc/03/14/29/1067031429.db2.gz JQZFQMZKUCFMHS-UHFFFAOYSA-N 1 0 467.994 4.226 20 0 JIADRO COc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1OCc1ccncc1 ZINC001318362453 1067031598 /nfs/dbraw/zinc/03/15/98/1067031598.db2.gz VOQIAHUBJAZOFZ-UHFFFAOYSA-N 1 0 475.593 4.235 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1 ZINC001318363657 1067032121 /nfs/dbraw/zinc/03/21/21/1067032121.db2.gz QYWOVRJUHHIZQJ-UHFFFAOYSA-N 1 0 488.426 4.413 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2cccn(CC(C)C)c2=O)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001351068154 1067040310 /nfs/dbraw/zinc/04/03/10/1067040310.db2.gz MXBSMXHPFHDSGR-UHFFFAOYSA-N 1 0 459.612 4.154 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)c2)CC1 ZINC001318457423 1067044478 /nfs/dbraw/zinc/04/44/78/1067044478.db2.gz HUZISDYPNVWPJD-UHFFFAOYSA-N 1 0 475.568 4.147 20 0 JIADRO O=C(CCc1nc(-c2ccccc2)no1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001318479790 1067047662 /nfs/dbraw/zinc/04/76/62/1067047662.db2.gz WTLKLQHYZXEFSN-UHFFFAOYSA-N 1 0 487.526 4.017 20 0 JIADRO CC[C@H]([NH2+]Cc1cc(C)c(I)cc1C)c1ccccc1OCC(=O)NC ZINC001351176265 1067056216 /nfs/dbraw/zinc/05/62/16/1067056216.db2.gz STZWYFMPFZACET-IBGZPJMESA-N 1 0 466.363 4.274 20 0 JIADRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC001318633488 1067058096 /nfs/dbraw/zinc/05/80/96/1067058096.db2.gz TZHORSZIZJDUGB-QFIPXVFZSA-N 1 0 488.632 4.498 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1Cl ZINC001318702643 1067058543 /nfs/dbraw/zinc/05/85/43/1067058543.db2.gz PTDPEQSUYNKIHI-UHFFFAOYSA-N 1 0 493.073 4.419 20 0 JIADRO COc1ccncc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1CSC ZINC001300701592 1067061930 /nfs/dbraw/zinc/06/19/30/1067061930.db2.gz DAQAOJAWQJCDKC-HXUWFJFHSA-N 1 0 453.612 4.258 20 0 JIADRO CC(C)[C@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)[NH+]1CCC(C)CC1 ZINC001318981578 1067062770 /nfs/dbraw/zinc/06/27/70/1067062770.db2.gz NGKALQSCVHGLFO-IBGZPJMESA-N 1 0 451.384 4.260 20 0 JIADRO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCCC2)cc1 ZINC001354728640 1067064909 /nfs/dbraw/zinc/06/49/09/1067064909.db2.gz CBERFTSRAWAGNH-XUZZJYLKSA-N 1 0 454.636 4.108 20 0 JIADRO Cc1csc([C@@H]2CN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001492549118 1067069943 /nfs/dbraw/zinc/06/99/43/1067069943.db2.gz RKXCIUUKLAMEJH-NRFANRHFSA-N 1 0 484.670 4.096 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)c2)CC1 ZINC001319371827 1067072496 /nfs/dbraw/zinc/07/24/96/1067072496.db2.gz AIWIHHNXIZJRKA-UHFFFAOYSA-N 1 0 460.456 4.016 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)cc1 ZINC001320673424 1067091251 /nfs/dbraw/zinc/09/12/51/1067091251.db2.gz RKDKXKJFGZTVDP-UHFFFAOYSA-N 1 0 450.583 4.164 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 ZINC001320749201 1067092263 /nfs/dbraw/zinc/09/22/63/1067092263.db2.gz JZTKOHRQCNDCJJ-KRWDZBQOSA-N 1 0 471.577 4.153 20 0 JIADRO CC(C)(CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@@H+]1CCc2ccccc2C1 ZINC001320809512 1067093295 /nfs/dbraw/zinc/09/32/95/1067093295.db2.gz LDSSLMNMKUFFLG-UHFFFAOYSA-N 1 0 454.578 4.057 20 0 JIADRO CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC001351438919 1067095434 /nfs/dbraw/zinc/09/54/34/1067095434.db2.gz JXYSUTJNXKFLGV-LTGZKZEYSA-N 1 0 455.624 4.011 20 0 JIADRO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001354815636 1067139396 /nfs/dbraw/zinc/13/93/96/1067139396.db2.gz YJYKBMBJVWXNJW-OYRHEFFESA-N 1 0 451.611 4.316 20 0 JIADRO COc1ccc(CCC2CCN(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)CC2)cc1 ZINC001321564268 1067167904 /nfs/dbraw/zinc/16/79/04/1067167904.db2.gz TVRZTVSZWGCQNF-UHFFFAOYSA-N 1 0 450.627 4.001 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc(C)c(C3N=NC(=S)N3C3CC3)s2)cc1 ZINC001321574466 1067169720 /nfs/dbraw/zinc/16/97/20/1067169720.db2.gz ZCPJJXOBYCGWEC-UHFFFAOYSA-N 1 0 472.640 4.307 20 0 JIADRO CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001321620533 1067177471 /nfs/dbraw/zinc/17/74/71/1067177471.db2.gz DEHUUAJLLDVSRT-UHFFFAOYSA-N 1 0 494.455 4.374 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001200799334 1067182159 /nfs/dbraw/zinc/18/21/59/1067182159.db2.gz KJOHZIKOHAVIQF-NSHDSACASA-N 1 0 451.203 4.218 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001321725283 1067203700 /nfs/dbraw/zinc/20/37/00/1067203700.db2.gz NQPYACOJFLJRSZ-HDICACEKSA-N 1 0 483.638 4.128 20 0 JIADRO COC1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001300737549 1067206167 /nfs/dbraw/zinc/20/61/67/1067206167.db2.gz QYXMKRCYEUXKIB-BWWMBTDCSA-N 1 0 461.695 4.322 20 0 JIADRO Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1N1CC[NH+](C)CC1 ZINC001321929167 1067227994 /nfs/dbraw/zinc/22/79/94/1067227994.db2.gz MHGLDMDJRHSBAF-HUUCEWRRSA-N 1 0 452.443 4.341 20 0 JIADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC001351866179 1067228118 /nfs/dbraw/zinc/22/81/18/1067228118.db2.gz UJMAUCCZLXHBCE-HSZRJFAPSA-N 1 0 457.977 4.127 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC001321957452 1067232600 /nfs/dbraw/zinc/23/26/00/1067232600.db2.gz MMWTXNCOMLYKOC-UHFFFAOYSA-N 1 0 466.626 4.071 20 0 JIADRO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N3CC[NH+](C(C)(C)C)CC3)cc2Cl)n1 ZINC001322088659 1067248924 /nfs/dbraw/zinc/24/89/24/1067248924.db2.gz JBTFGTNNBGCUQW-QGZVFWFLSA-N 1 0 461.010 4.301 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001322126775 1067254657 /nfs/dbraw/zinc/25/46/57/1067254657.db2.gz DVBKYRMMYVPCGL-QGZVFWFLSA-N 1 0 474.030 4.180 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300749184 1067265476 /nfs/dbraw/zinc/26/54/76/1067265476.db2.gz PDPARDGSWHJZKZ-FSSWDIPSSA-N 1 0 490.693 4.086 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300753419 1067278604 /nfs/dbraw/zinc/27/86/04/1067278604.db2.gz HYFRAXCXNNMUTM-PWRODBHTSA-N 1 0 459.610 4.437 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCCc3coc(-c4ccccc4)n3)CC2)c1 ZINC001322350776 1067281357 /nfs/dbraw/zinc/28/13/57/1067281357.db2.gz PXXQNZNGCWJETC-UHFFFAOYSA-N 1 0 461.610 4.094 20 0 JIADRO Cc1cccc(OCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001492550824 1067282847 /nfs/dbraw/zinc/28/28/47/1067282847.db2.gz SOTPKFFYXAWVEJ-UHFFFAOYSA-N 1 0 455.006 4.301 20 0 JIADRO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[NH2+]C(C)(C)C)ccc2C)cc1Br ZINC001322391414 1067285120 /nfs/dbraw/zinc/28/51/20/1067285120.db2.gz FKCPSUTWFHWGQN-UHFFFAOYSA-N 1 0 498.443 4.284 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300756847 1067285242 /nfs/dbraw/zinc/28/52/42/1067285242.db2.gz ZMJLBYBGFHKBKB-NZQKXSOJSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300758912 1067293466 /nfs/dbraw/zinc/29/34/66/1067293466.db2.gz YMMQBRBRMGOAMM-OAQYLSRUSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCCC2)C1 ZINC001300764066 1067305506 /nfs/dbraw/zinc/30/55/06/1067305506.db2.gz UIGFQUOEONAMHV-SFHVURJKSA-N 1 0 462.436 4.199 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(I)cc1Cl ZINC001354963266 1067307465 /nfs/dbraw/zinc/30/74/65/1067307465.db2.gz UVEZXEKGFFRGOF-UHFFFAOYSA-N 1 0 456.755 4.191 20 0 JIADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352201422 1067309448 /nfs/dbraw/zinc/30/94/48/1067309448.db2.gz ASTOGYZSHQSULY-MRXNPFEDSA-N 1 0 453.949 4.179 20 0 JIADRO COc1ccc(C(C)(C)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1OC ZINC001352213829 1067311446 /nfs/dbraw/zinc/31/14/46/1067311446.db2.gz XATMXPGRBCQUIS-UHFFFAOYSA-N 1 0 453.583 4.435 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001323352800 1067318541 /nfs/dbraw/zinc/31/85/41/1067318541.db2.gz VNYNJEWBBUUGCI-MJGOQNOKSA-N 1 0 450.004 4.330 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300771761 1067320635 /nfs/dbraw/zinc/32/06/35/1067320635.db2.gz FBLNOLSHCLOBCD-ISKFKSNPSA-N 1 0 455.647 4.354 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492495014 1067322220 /nfs/dbraw/zinc/32/22/20/1067322220.db2.gz NLDWIVNNQGVJFX-NJDAHSKKSA-N 1 0 478.641 4.439 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492495029 1067322524 /nfs/dbraw/zinc/32/25/24/1067322524.db2.gz NROCNNGYTITCOX-HXUWFJFHSA-N 1 0 497.638 4.398 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2CC[N@@H+](C)C(C)C)n1 ZINC001492496527 1067331071 /nfs/dbraw/zinc/33/10/71/1067331071.db2.gz WCLBWWQULDQVPA-CBQGHPETSA-N 1 0 497.688 4.355 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001300777651 1067331903 /nfs/dbraw/zinc/33/19/03/1067331903.db2.gz ZGZAJZJVYIYVCZ-AVRDEDQJSA-N 1 0 468.671 4.378 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300000395 1067336002 /nfs/dbraw/zinc/33/60/02/1067336002.db2.gz CFWJODBSLFCWSK-HUUCEWRRSA-N 1 0 493.475 4.363 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300000442 1067336286 /nfs/dbraw/zinc/33/62/86/1067336286.db2.gz DBUCNSBFYWZRKY-PPHZAIPVSA-N 1 0 479.673 4.451 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001300781639 1067337345 /nfs/dbraw/zinc/33/73/45/1067337345.db2.gz AYDINUIPOXWLDT-MHZLTWQESA-N 1 0 469.674 4.476 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001300782082 1067337768 /nfs/dbraw/zinc/33/77/68/1067337768.db2.gz HVKIIXSQDZRDFQ-UHFFFAOYSA-N 1 0 462.038 4.103 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001300001341 1067339348 /nfs/dbraw/zinc/33/93/48/1067339348.db2.gz WLDWFYXKGOVOKU-UHFFFAOYSA-N 1 0 460.504 4.264 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C)CC2)CC1 ZINC001300782849 1067339876 /nfs/dbraw/zinc/33/98/76/1067339876.db2.gz REFFSBMRPSCOLK-UHFFFAOYSA-N 1 0 477.451 4.082 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCSC[C@H]2C)CC1 ZINC001300783063 1067340425 /nfs/dbraw/zinc/34/04/25/1067340425.db2.gz SRJCHTJQODNYKX-RTBURBONSA-N 1 0 491.677 4.388 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300001758 1067340527 /nfs/dbraw/zinc/34/05/27/1067340527.db2.gz GYNPQJYXDJVSPU-GOSISDBHSA-N 1 0 455.628 4.392 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NCCNC(=O)c1ccc(C)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC001355023523 1067342497 /nfs/dbraw/zinc/34/24/97/1067342497.db2.gz UQNBUTOKPQDHFZ-FQEVSTJZSA-N 1 0 453.480 4.082 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001300785039 1067345357 /nfs/dbraw/zinc/34/53/57/1067345357.db2.gz ODUZEPKMYOEPPK-LPHOPBHVSA-N 1 0 450.052 4.322 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001300003067 1067345950 /nfs/dbraw/zinc/34/59/50/1067345950.db2.gz ZBCGREUBGUDAMJ-RTBURBONSA-N 1 0 483.613 4.080 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001300785231 1067346148 /nfs/dbraw/zinc/34/61/48/1067346148.db2.gz JJCBEMFHZRYPAL-GPWHBBDMSA-N 1 0 487.714 4.055 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001300785344 1067346431 /nfs/dbraw/zinc/34/64/31/1067346431.db2.gz LMEUFTPFQUKTLT-UHFFFAOYSA-N 1 0 476.463 4.444 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001300785356 1067346635 /nfs/dbraw/zinc/34/66/35/1067346635.db2.gz LQWGAJHYKLTBLV-UMSFTDKQSA-N 1 0 489.730 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001300785708 1067347694 /nfs/dbraw/zinc/34/76/94/1067347694.db2.gz QULGHRUMDPTSBT-OALUTQOASA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCO[C@H](c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001300786109 1067348493 /nfs/dbraw/zinc/34/84/93/1067348493.db2.gz KFLSQSQOEOUFBZ-QFIPXVFZSA-N 1 0 473.637 4.182 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300007029 1067356551 /nfs/dbraw/zinc/35/65/51/1067356551.db2.gz WZEVMJZNEBRMQK-BVZFJXPGSA-N 1 0 486.064 4.488 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCCC3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300008067 1067358265 /nfs/dbraw/zinc/35/82/65/1067358265.db2.gz ATUQSEKCKWDLQT-OAHLLOKOSA-N 1 0 450.425 4.293 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001300009055 1067359879 /nfs/dbraw/zinc/35/98/79/1067359879.db2.gz MOERCUCJBJMHMI-MRXNPFEDSA-N 1 0 462.436 4.437 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300009957 1067361549 /nfs/dbraw/zinc/36/15/49/1067361549.db2.gz YKOZQCXXVNRYRY-RBBKRZOGSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300010203 1067362292 /nfs/dbraw/zinc/36/22/92/1067362292.db2.gz CTQPEFQHNHJEJB-SFTDATJTSA-N 1 0 485.673 4.193 20 0 JIADRO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001300792344 1067363103 /nfs/dbraw/zinc/36/31/03/1067363103.db2.gz WCGNMQRUCDZTEK-QFIPXVFZSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793709 1067365923 /nfs/dbraw/zinc/36/59/23/1067365923.db2.gz ANXZHSKQXAKMPE-UNIVCBNLSA-N 1 0 487.714 4.333 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793706 1067365953 /nfs/dbraw/zinc/36/59/53/1067365953.db2.gz ANXZHSKQXAKMPE-HXAGEGRHSA-N 1 0 487.714 4.333 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300013951 1067369963 /nfs/dbraw/zinc/36/99/63/1067369963.db2.gz VNRBSRWGJJMJHI-HXUWFJFHSA-N 1 0 473.662 4.334 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300016520 1067375830 /nfs/dbraw/zinc/37/58/30/1067375830.db2.gz CJDQNUSGYRGDFU-IBGZPJMESA-N 1 0 457.619 4.393 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300022963 1067390790 /nfs/dbraw/zinc/39/07/90/1067390790.db2.gz AGXJEHZNZJJIIW-RDPSFJRHSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001300023298 1067391952 /nfs/dbraw/zinc/39/19/52/1067391952.db2.gz FAJIKVQIFZOJFS-IRXDYDNUSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300023728 1067393095 /nfs/dbraw/zinc/39/30/95/1067393095.db2.gz LZGAYDUETDXVHZ-IBGZPJMESA-N 1 0 459.635 4.085 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(F)cc(Br)cc2F)c1 ZINC001355235701 1067393827 /nfs/dbraw/zinc/39/38/27/1067393827.db2.gz LIWBMGKKQDUXNE-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300025932 1067397236 /nfs/dbraw/zinc/39/72/36/1067397236.db2.gz WWBPTWUJHYJNNG-MUFBNLQYSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001300031833 1067424165 /nfs/dbraw/zinc/42/41/65/1067424165.db2.gz AIGQWNYWWSUQKZ-NHCUHLMSSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300035819 1067442589 /nfs/dbraw/zinc/44/25/89/1067442589.db2.gz FGNVKBBOZINACN-QMTMVMCOSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300040768 1067464181 /nfs/dbraw/zinc/46/41/81/1067464181.db2.gz BUEGRXIWUMQHCG-OYRHEFFESA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)c2nc(C)cs2)cc1OC ZINC001300044884 1067490255 /nfs/dbraw/zinc/49/02/55/1067490255.db2.gz WVSUPYBZJVFMLK-KRWDZBQOSA-N 1 0 484.670 4.498 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300045312 1067491727 /nfs/dbraw/zinc/49/17/27/1067491727.db2.gz BJQUKJLXZMXGQE-JOCHJYFZSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300045369 1067492921 /nfs/dbraw/zinc/49/29/21/1067492921.db2.gz DBNJSPDUURURCK-QHCPKHFHSA-N 1 0 455.647 4.327 20 0 JIADRO CCCCc1nc(-c2cccc(OC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)no1 ZINC001355542846 1067504177 /nfs/dbraw/zinc/50/41/77/1067504177.db2.gz BCOGQDPVTZMFHS-FGZHOGPDSA-N 1 0 451.571 4.232 20 0 JIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC001200068725 1067505779 /nfs/dbraw/zinc/50/57/79/1067505779.db2.gz CKFHOZYMJYVDIP-NRFANRHFSA-N 1 0 459.635 4.351 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300050864 1067511633 /nfs/dbraw/zinc/51/16/33/1067511633.db2.gz VPAYJFFZUFQADU-FKBYEOEOSA-N 1 0 485.673 4.334 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492582168 1067521695 /nfs/dbraw/zinc/52/16/95/1067521695.db2.gz YXLUYTXHJHKSRS-JWQCQUIFSA-N 1 0 453.675 4.407 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001492582495 1067527109 /nfs/dbraw/zinc/52/71/09/1067527109.db2.gz JXEBPKALFHHTNK-HXUWFJFHSA-N 1 0 484.689 4.305 20 0 JIADRO CCOCCOC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 ZINC001355613410 1067528180 /nfs/dbraw/zinc/52/81/80/1067528180.db2.gz VJDZGCWXTITPNF-IXCJQBJRSA-N 1 0 450.623 4.120 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300059146 1067554248 /nfs/dbraw/zinc/55/42/48/1067554248.db2.gz JAHRIYKXMLMYNW-BHDDXSALSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300060705 1067560171 /nfs/dbraw/zinc/56/01/71/1067560171.db2.gz PPJJXXGQRQIHRK-ZRCGQRJVSA-N 1 0 471.646 4.086 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(F)c3)cc2Cl)CC1 ZINC001355715180 1067560639 /nfs/dbraw/zinc/56/06/39/1067560639.db2.gz DXEAHNDUQPILAV-GBXCKJPGSA-N 1 0 472.992 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNc2ccccn2)c(OC)c1 ZINC001300061183 1067562721 /nfs/dbraw/zinc/56/27/21/1067562721.db2.gz BAFIPHSVSJDLRP-UHFFFAOYSA-N 1 0 493.656 4.170 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001492583637 1067563091 /nfs/dbraw/zinc/56/30/91/1067563091.db2.gz PXWFWWJDBPODNB-SANMLTNESA-N 1 0 466.718 4.323 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)cc1OC ZINC001300061203 1067563354 /nfs/dbraw/zinc/56/33/54/1067563354.db2.gz BURSIMRDCIKABD-UHFFFAOYSA-N 1 0 459.635 4.088 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492583923 1067567456 /nfs/dbraw/zinc/56/74/56/1067567456.db2.gz YKTRCJCTIWNOKK-JOCHJYFZSA-N 1 0 488.474 4.023 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492584039 1067568759 /nfs/dbraw/zinc/56/87/59/1067568759.db2.gz CILADAZVXDFDOF-PLXFJCCSSA-N 1 0 494.728 4.286 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC(C)C)cc1Br ZINC001300067889 1067584743 /nfs/dbraw/zinc/58/47/43/1067584743.db2.gz BJGMGPKDHLZEQV-UHFFFAOYSA-N 1 0 480.451 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001300072110 1067594528 /nfs/dbraw/zinc/59/45/28/1067594528.db2.gz YBPJEDHYBZRBKY-WOJBJXKFSA-N 1 0 498.672 4.178 20 0 JIADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001355868403 1067595096 /nfs/dbraw/zinc/59/50/96/1067595096.db2.gz PVVQWBNYRAXZIB-KPFFTGBYSA-N 1 0 454.396 4.193 20 0 JIADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2=O ZINC001355898118 1067601533 /nfs/dbraw/zinc/60/15/33/1067601533.db2.gz QZLSKHFLJFKKLS-UDCNLSRBSA-N 1 0 454.615 4.136 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C[C@H](C)SC)cc1Br ZINC001300075700 1067601781 /nfs/dbraw/zinc/60/17/81/1067601781.db2.gz IMPOUJOOTZZGLL-DOTOQJQBSA-N 1 0 480.476 4.142 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC=C(C)C)c(OC)c1 ZINC001300075584 1067601873 /nfs/dbraw/zinc/60/18/73/1067601873.db2.gz FSRXPGFDJOPXQU-ZRZAMGCNSA-N 1 0 496.700 4.313 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@@H](C)SC)cc1Br ZINC001300075703 1067602419 /nfs/dbraw/zinc/60/24/19/1067602419.db2.gz IMPOUJOOTZZGLL-WBVHZDCISA-N 1 0 480.476 4.142 20 0 JIADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC001355899145 1067602463 /nfs/dbraw/zinc/60/24/63/1067602463.db2.gz ZAELJPQGAFINIS-GOSISDBHSA-N 1 0 451.615 4.093 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001300077961 1067610137 /nfs/dbraw/zinc/61/01/37/1067610137.db2.gz DFOAQOXBLTUYOO-DCFHFQCYSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300078768 1067613503 /nfs/dbraw/zinc/61/35/03/1067613503.db2.gz LNIDUFPCURHXQO-LJQANCHMSA-N 1 0 459.635 4.085 20 0 JIADRO CCc1noc2ncc(C(=O)Nc3ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c3)cc12 ZINC001355952455 1067617281 /nfs/dbraw/zinc/61/72/81/1067617281.db2.gz SDLHVXLQAJTXNI-UHFFFAOYSA-N 1 0 457.962 4.153 20 0 JIADRO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN(C(=S)Nc3cccc4ccccc43)C2)C1 ZINC001200102271 1067619738 /nfs/dbraw/zinc/61/97/38/1067619738.db2.gz QEAPZQPQJRRANQ-HXUWFJFHSA-N 1 0 454.640 4.458 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001300083720 1067622927 /nfs/dbraw/zinc/62/29/27/1067622927.db2.gz NOOHEGUQHUCRPN-KRWDZBQOSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300084816 1067625490 /nfs/dbraw/zinc/62/54/90/1067625490.db2.gz CTAMCMJNGZHPOE-XXBNENTESA-N 1 0 485.654 4.436 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC001300089374 1067641193 /nfs/dbraw/zinc/64/11/93/1067641193.db2.gz QXEZBUHZFVSZNY-FOUAFEINSA-N 1 0 459.610 4.267 20 0 JIADRO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)c3ccc(Cl)c4ccccc43)O2)CC1 ZINC001200109966 1067647067 /nfs/dbraw/zinc/64/70/67/1067647067.db2.gz VTSWGROVGNRARG-CTUHWIOQSA-N 1 0 493.069 4.162 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c(OC)c1 ZINC001300092311 1067650760 /nfs/dbraw/zinc/65/07/60/1067650760.db2.gz PIBCTPSOGJTFID-OYRHEFFESA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(C2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001300096934 1067661992 /nfs/dbraw/zinc/66/19/92/1067661992.db2.gz PVKBMDNGEXUJBO-NRFANRHFSA-N 1 0 469.674 4.469 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300097381 1067664084 /nfs/dbraw/zinc/66/40/84/1067664084.db2.gz BCQSODPZOMVGKA-IRLDBZIGSA-N 1 0 479.629 4.070 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300098589 1067667106 /nfs/dbraw/zinc/66/71/06/1067667106.db2.gz MCZLKNSVVMKPFM-SQJMNOBHSA-N 1 0 473.687 4.273 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300100906 1067676447 /nfs/dbraw/zinc/67/64/47/1067676447.db2.gz YPHKXBXAPIZSPO-QNWVGRARSA-N 1 0 469.674 4.369 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300100965 1067676474 /nfs/dbraw/zinc/67/64/74/1067676474.db2.gz ZKBSPRWKZVBLJM-QFIPXVFZSA-N 1 0 496.700 4.102 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300108083 1067702455 /nfs/dbraw/zinc/70/24/55/1067702455.db2.gz ZPGIHLQHRVWRMC-DFBJGRDBSA-N 1 0 469.655 4.300 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC001356282763 1067716457 /nfs/dbraw/zinc/71/64/57/1067716457.db2.gz LZCWCKXFGBVIEG-UHFFFAOYSA-N 1 0 457.574 4.401 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300113241 1067718120 /nfs/dbraw/zinc/71/81/20/1067718120.db2.gz HXRJTTOQXKSNGE-SFTDATJTSA-N 1 0 457.688 4.278 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300114094 1067720482 /nfs/dbraw/zinc/72/04/82/1067720482.db2.gz POQVAOMWCPHUBG-NHCUHLMSSA-N 1 0 471.715 4.382 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001300117622 1067729086 /nfs/dbraw/zinc/72/90/86/1067729086.db2.gz NGRDZLHITPCGAZ-JOCHJYFZSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCC(C)C)cc1 ZINC001300118740 1067731895 /nfs/dbraw/zinc/73/18/95/1067731895.db2.gz GBVHWWSPJLMOMQ-ZRZAMGCNSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119800 1067734833 /nfs/dbraw/zinc/73/48/33/1067734833.db2.gz BUXMLOZEYHZWKT-ISKFKSNPSA-N 1 0 483.701 4.324 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300120030 1067735282 /nfs/dbraw/zinc/73/52/82/1067735282.db2.gz DIPBKUBRIFMPBV-KCWPFWIISA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119942 1067735405 /nfs/dbraw/zinc/73/54/05/1067735405.db2.gz BUXMLOZEYHZWKT-VWNXMTODSA-N 1 0 483.701 4.324 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2c(C)noc2C)cc1 ZINC001300123296 1067743348 /nfs/dbraw/zinc/74/33/48/1067743348.db2.gz RCXGYIPIGGGMKO-UHFFFAOYSA-N 1 0 480.657 4.230 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOc2ccc(Cl)cn2)cc1 ZINC001300123390 1067743736 /nfs/dbraw/zinc/74/37/36/1067743736.db2.gz SGHCQEHDTDVDSO-UHFFFAOYSA-N 1 0 499.059 4.120 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001300124951 1067749183 /nfs/dbraw/zinc/74/91/83/1067749183.db2.gz APGNRTQTGXQUNL-HRFSGMKKSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300125908 1067751728 /nfs/dbraw/zinc/75/17/28/1067751728.db2.gz NHJWSBQDNDAYEB-NOZRDPDXSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300126272 1067753235 /nfs/dbraw/zinc/75/32/35/1067753235.db2.gz QXSAPUPFTPIPSF-ZCYQVOJMSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300126322 1067753366 /nfs/dbraw/zinc/75/33/66/1067753366.db2.gz LPVYVMQRDHDTFE-ZRBLBEILSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300128236 1067761075 /nfs/dbraw/zinc/76/10/75/1067761075.db2.gz LFPQKHWZMZMVBY-PPPZIOFZSA-N 1 0 457.638 4.377 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001356508214 1067767775 /nfs/dbraw/zinc/76/77/75/1067767775.db2.gz VPHZQMXAFHRGRR-OAQYLSRUSA-N 1 0 457.368 4.198 20 0 JIADRO COc1ccc(CCCn2c(C(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC001300132985 1067772014 /nfs/dbraw/zinc/77/20/14/1067772014.db2.gz JSSVUPTXGZVAFS-UHFFFAOYSA-N 1 0 498.716 4.046 20 0 JIADRO Cc1ccc(I)c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC001352869519 1067776393 /nfs/dbraw/zinc/77/63/93/1067776393.db2.gz VWMQMBQSKYKBQL-UHFFFAOYSA-N 1 0 456.755 4.457 20 0 JIADRO O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001352880307 1067780093 /nfs/dbraw/zinc/78/00/93/1067780093.db2.gz GOOZYEFKQVZKLC-UHFFFAOYSA-N 1 0 454.924 4.169 20 0 JIADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000849058040 1067788892 /nfs/dbraw/zinc/78/88/92/1067788892.db2.gz CQXHNEQYAREOEK-HNNXBMFYSA-N 1 0 470.517 4.142 20 0 JIADRO COc1ccc(CCn2c(C(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)cc1OC ZINC001300140224 1067789318 /nfs/dbraw/zinc/78/93/18/1067789318.db2.gz NFAARPUWWGRTDD-UHFFFAOYSA-N 1 0 469.655 4.088 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849066922 1067794688 /nfs/dbraw/zinc/79/46/88/1067794688.db2.gz PWJJJHBUPKJPHS-INIZCTEOSA-N 1 0 451.398 4.080 20 0 JIADRO CC1(C)CN([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccc(Cl)cc2)CCO1 ZINC000849073058 1067796746 /nfs/dbraw/zinc/79/67/46/1067796746.db2.gz GCZKUMFQFUQFIA-HXUWFJFHSA-N 1 0 458.990 4.290 20 0 JIADRO COc1ccc(NC(=[NH2+])NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cc1Cl ZINC000849071638 1067796882 /nfs/dbraw/zinc/79/68/82/1067796882.db2.gz PBRLOTQPRFTKNK-UHFFFAOYSA-N 1 0 476.961 4.103 20 0 JIADRO CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357187024 1067816084 /nfs/dbraw/zinc/81/60/84/1067816084.db2.gz FKVJMQAWDUIMFO-XMMPIXPASA-N 1 0 459.594 4.373 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001357203065 1067817947 /nfs/dbraw/zinc/81/79/47/1067817947.db2.gz DVDDFDSVPZSTKK-SFTDATJTSA-N 1 0 455.624 4.363 20 0 JIADRO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001357205502 1067818305 /nfs/dbraw/zinc/81/83/05/1067818305.db2.gz MFSWCMXHMXKFNL-DEOSSOPVSA-N 1 0 457.578 4.165 20 0 JIADRO CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001357205290 1067818334 /nfs/dbraw/zinc/81/83/34/1067818334.db2.gz JMGJBFVPXBHCQH-LJQANCHMSA-N 1 0 451.502 4.290 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001300162773 1067818385 /nfs/dbraw/zinc/81/83/85/1067818385.db2.gz SJWMMGBZIBOXLZ-HSZRJFAPSA-N 1 0 450.631 4.357 20 0 JIADRO COc1cccc(C(=O)CCCC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001300163646 1067820361 /nfs/dbraw/zinc/82/03/61/1067820361.db2.gz YWYKYPOXXALTSD-OYRHEFFESA-N 1 0 452.595 4.316 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC2CC[NH+](CCC(C)C)CC2)cc1O ZINC001300164033 1067821121 /nfs/dbraw/zinc/82/11/21/1067821121.db2.gz HMBXAPCIKCJZTD-UHFFFAOYSA-N 1 0 478.641 4.449 20 0 JIADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC001357227150 1067821233 /nfs/dbraw/zinc/82/12/33/1067821233.db2.gz NQZNFALKLXFQQQ-UHFFFAOYSA-N 1 0 453.029 4.243 20 0 JIADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245383 1067823593 /nfs/dbraw/zinc/82/35/93/1067823593.db2.gz CKTDHASHFMXBRQ-BXKMTCNYSA-N 1 0 453.537 4.227 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1O ZINC001300170421 1067829232 /nfs/dbraw/zinc/82/92/32/1067829232.db2.gz RYKHTRWFSTZBCI-AUSIDOKSSA-N 1 0 457.619 4.135 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1nn(-c2ccccc2)cc1Br ZINC001357304942 1067832331 /nfs/dbraw/zinc/83/23/31/1067832331.db2.gz RPBGJFMOMLMVBZ-UHFFFAOYSA-N 1 0 457.397 4.436 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300173619 1067833027 /nfs/dbraw/zinc/83/30/27/1067833027.db2.gz MBKMDRBZSRWUOY-ICSRJNTNSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300173818 1067833284 /nfs/dbraw/zinc/83/32/84/1067833284.db2.gz XRBBOOUZRKYETB-UHFFFAOYSA-N 1 0 478.641 4.182 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCC[NH+]2CCCCC2)cc1C ZINC001300177761 1067838380 /nfs/dbraw/zinc/83/83/80/1067838380.db2.gz UQJQCABZBGOGRB-UHFFFAOYSA-N 1 0 468.671 4.463 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001300179396 1067841759 /nfs/dbraw/zinc/84/17/59/1067841759.db2.gz RUGXITQNMVNYMG-CDNPAEQRSA-N 1 0 455.647 4.324 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1F ZINC001300179927 1067842898 /nfs/dbraw/zinc/84/28/98/1067842898.db2.gz FIIDWJSWDAFDST-HSZRJFAPSA-N 1 0 483.636 4.044 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC001300181447 1067844215 /nfs/dbraw/zinc/84/42/15/1067844215.db2.gz FNSKKQJYPGESML-HSZRJFAPSA-N 1 0 455.647 4.110 20 0 JIADRO COc1ccc(CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC001300182065 1067844744 /nfs/dbraw/zinc/84/47/44/1067844744.db2.gz MWOJJDVQQMCDBA-HXUWFJFHSA-N 1 0 455.647 4.254 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cn2)CC1 ZINC001357413668 1067846448 /nfs/dbraw/zinc/84/64/48/1067846448.db2.gz XUSKCYIRDVRZSG-HSZRJFAPSA-N 1 0 454.933 4.385 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1Br ZINC001300190842 1067853161 /nfs/dbraw/zinc/85/31/61/1067853161.db2.gz YCZTVQPNXLHLJO-FXAWDEMLSA-N 1 0 476.463 4.497 20 0 JIADRO Cc1cccc(C2([NH2+]CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3C=CS(=O)(=O)C3)CCCC2)c1 ZINC001473277896 1067854842 /nfs/dbraw/zinc/85/48/42/1067854842.db2.gz HPOPDIRDGRHRGU-XMMPIXPASA-N 1 0 452.620 4.315 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001353093051 1067860356 /nfs/dbraw/zinc/86/03/56/1067860356.db2.gz LFKFQKWFNDZOFO-OAHLLOKOSA-N 1 0 450.366 4.316 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001200222228 1067864414 /nfs/dbraw/zinc/86/44/14/1067864414.db2.gz KCVXXIJKKBNUJL-JOCHJYFZSA-N 1 0 456.587 4.405 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001357526866 1067865413 /nfs/dbraw/zinc/86/54/13/1067865413.db2.gz YTVQXBHHJROQBP-HSZRJFAPSA-N 1 0 456.428 4.367 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1O ZINC001300196960 1067866730 /nfs/dbraw/zinc/86/67/30/1067866730.db2.gz YSBDHNSTNJKQQO-UHFFFAOYSA-N 1 0 485.032 4.313 20 0 JIADRO Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(C(=O)OC(C)(C)C)c1 ZINC001357579644 1067873972 /nfs/dbraw/zinc/87/39/72/1067873972.db2.gz YQLDGXGBERPMBI-SFHVURJKSA-N 1 0 455.574 4.332 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492557933 1067874023 /nfs/dbraw/zinc/87/40/23/1067874023.db2.gz BTVWODYMUFLQHQ-GOSISDBHSA-N 1 0 486.615 4.257 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(Br)c3Cl)cc2)C1 ZINC001357644055 1067881727 /nfs/dbraw/zinc/88/17/27/1067881727.db2.gz FRNYWYQFORYPOK-AWEZNQCLSA-N 1 0 450.764 4.052 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c(OC)n1 ZINC001300212068 1067882202 /nfs/dbraw/zinc/88/22/02/1067882202.db2.gz MFCXJGPWQOJRJZ-UHFFFAOYSA-N 1 0 484.689 4.420 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492559579 1067885105 /nfs/dbraw/zinc/88/51/05/1067885105.db2.gz GWLMTZMSEWRAIY-UHFFFAOYSA-N 1 0 482.717 4.313 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1Cl ZINC001300215586 1067885689 /nfs/dbraw/zinc/88/56/89/1067885689.db2.gz CYTWVGMPOZVGGX-SFTDATJTSA-N 1 0 489.108 4.182 20 0 JIADRO C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357779642 1067898580 /nfs/dbraw/zinc/89/85/80/1067898580.db2.gz IBEQGPIOKYYTSA-TUACAJSNSA-N 1 0 451.611 4.322 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cnc2scc(C)n2c1=O)c1cccc(C(F)(F)F)c1 ZINC001357797725 1067901363 /nfs/dbraw/zinc/90/13/63/1067901363.db2.gz FINNJFASOQLLFY-UHFFFAOYSA-N 1 0 452.502 4.072 20 0 JIADRO C[C@H]1CN(Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001357822159 1067912671 /nfs/dbraw/zinc/91/26/71/1067912671.db2.gz VKASDPXKGCNSDK-VXKWHMMOSA-N 1 0 450.627 4.070 20 0 JIADRO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1 ZINC001357868462 1067925534 /nfs/dbraw/zinc/92/55/34/1067925534.db2.gz VLSUNHKTRIOMLZ-IBGZPJMESA-N 1 0 455.624 4.139 20 0 JIADRO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1 ZINC001357868466 1067925835 /nfs/dbraw/zinc/92/58/35/1067925835.db2.gz VLSUNHKTRIOMLZ-LJQANCHMSA-N 1 0 455.624 4.139 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300237704 1067933993 /nfs/dbraw/zinc/93/39/93/1067933993.db2.gz OHKKYMHNPPCIPF-SFHVURJKSA-N 1 0 462.038 4.345 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)cc2)C[C@H]1C ZINC001357904536 1067936263 /nfs/dbraw/zinc/93/62/63/1067936263.db2.gz JAEWNUHJGIEFKY-RPHTVSPISA-N 1 0 456.549 4.202 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3sccc3Br)cc2)C[C@@H]1C ZINC001357908275 1067938878 /nfs/dbraw/zinc/93/88/78/1067938878.db2.gz ZUZPBERODAPAQE-HOTGVXAUSA-N 1 0 451.430 4.450 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cnc(Br)c(Cl)c2)ccc1OC ZINC001357928520 1067946036 /nfs/dbraw/zinc/94/60/36/1067946036.db2.gz APKYAYRMAOUBHI-UHFFFAOYSA-N 1 0 456.768 4.479 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)ccc1OC ZINC001357931484 1067946778 /nfs/dbraw/zinc/94/67/78/1067946778.db2.gz RRWVCUDCVNPGGM-UHFFFAOYSA-N 1 0 450.461 4.335 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492561320 1067964310 /nfs/dbraw/zinc/96/43/10/1067964310.db2.gz CLGKNZUBEGETKY-OAQYLSRUSA-N 1 0 451.562 4.390 20 0 JIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cc(Br)ccc1-n1cccn1 ZINC001200287349 1067966373 /nfs/dbraw/zinc/96/63/73/1067966373.db2.gz SRUFGMHXPXTVLL-LJQANCHMSA-N 1 0 454.372 4.421 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001300248188 1067982654 /nfs/dbraw/zinc/98/26/54/1067982654.db2.gz APSWNNDNFYITBD-IBGZPJMESA-N 1 0 453.587 4.289 20 0 JIADRO CC(C)COC(=O)N1CCC(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038611 1068000617 /nfs/dbraw/zinc/00/06/17/1068000617.db2.gz JDWPIUURNOMROI-RXVVDRJESA-N 1 0 453.986 4.093 20 0 JIADRO COc1ccc(OC)c(CCCn2c(C3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001300252642 1068005408 /nfs/dbraw/zinc/00/54/08/1068005408.db2.gz CTQIXHCOHNUIIX-UHFFFAOYSA-N 1 0 455.647 4.364 20 0 JIADRO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062521 1068005900 /nfs/dbraw/zinc/00/59/00/1068005900.db2.gz MAESBBWAMATGCK-VWNXMTODSA-N 1 0 452.668 4.012 20 0 JIADRO Cc1cc(C)c(Br)c(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001358072758 1068010215 /nfs/dbraw/zinc/01/02/15/1068010215.db2.gz PDFWPZFNGWGVGB-UHFFFAOYSA-N 1 0 458.400 4.058 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@]2(C)CCc3ccccc32)cc1OC ZINC001358085367 1068015750 /nfs/dbraw/zinc/01/57/50/1068015750.db2.gz DSHSIXBEXLBQJG-RUZDIDTESA-N 1 0 458.002 4.263 20 0 JIADRO COc1ccc(OC)c(Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC001300259527 1068021729 /nfs/dbraw/zinc/02/17/29/1068021729.db2.gz YSVOBZJFIIEQMV-UHFFFAOYSA-N 1 0 455.647 4.387 20 0 JIADRO CN(c1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC001358116463 1068022477 /nfs/dbraw/zinc/02/24/77/1068022477.db2.gz VJVSQQAKTKYQPJ-UHFFFAOYSA-N 1 0 458.990 4.076 20 0 JIADRO CC(C)(C)Oc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC001358118121 1068023228 /nfs/dbraw/zinc/02/32/28/1068023228.db2.gz KDRHJIPXZZREBY-NHCUHLMSSA-N 1 0 450.608 4.247 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)c2C1 ZINC001358122135 1068024207 /nfs/dbraw/zinc/02/42/07/1068024207.db2.gz QBZFXKQNZXFHTD-QYBDOPJKSA-N 1 0 454.615 4.124 20 0 JIADRO COCCc1ccc(Oc2ccc(NC(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)cc2)cc1 ZINC001200304403 1068026323 /nfs/dbraw/zinc/02/63/23/1068026323.db2.gz CIGKIKNUQIWBNN-HXUWFJFHSA-N 1 0 453.583 4.385 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300263748 1068030411 /nfs/dbraw/zinc/03/04/11/1068030411.db2.gz OFROCNFNMNJCEM-BGYRXZFFSA-N 1 0 482.629 4.247 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3scnc3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001300264547 1068033510 /nfs/dbraw/zinc/03/35/10/1068033510.db2.gz IASHBWUHVIIYBM-UHFFFAOYSA-N 1 0 470.643 4.143 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300264919 1068034310 /nfs/dbraw/zinc/03/43/10/1068034310.db2.gz MOBQCEYRLVIFGG-JTSKRJEESA-N 1 0 469.552 4.375 20 0 JIADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001358170976 1068035888 /nfs/dbraw/zinc/03/58/88/1068035888.db2.gz QFQAXFYHESDRJQ-YKSBVNFPSA-N 1 0 457.640 4.206 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCNC(=O)OC(C)(C)C ZINC001492563694 1068043492 /nfs/dbraw/zinc/04/34/92/1068043492.db2.gz JYRPRJHCJJSDCO-NRFANRHFSA-N 1 0 468.646 4.090 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC001358215061 1068045478 /nfs/dbraw/zinc/04/54/78/1068045478.db2.gz LSYMPOOMDOYWCB-GZGNHOFSSA-N 1 0 459.556 4.077 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C(C)C)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300269842 1068046996 /nfs/dbraw/zinc/04/69/96/1068046996.db2.gz AEKWPVAUQITXFP-QFIPXVFZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300270388 1068048836 /nfs/dbraw/zinc/04/88/36/1068048836.db2.gz SUIUBJYBKKGEEZ-ZRCGQRJVSA-N 1 0 473.687 4.316 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001492564295 1068051895 /nfs/dbraw/zinc/05/18/95/1068051895.db2.gz CTXWYCWIUHSYAC-TZIWHRDSSA-N 1 0 480.613 4.253 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360430 1068059661 /nfs/dbraw/zinc/05/96/61/1068059661.db2.gz OWOOQLOZOXIASH-NHCUHLMSSA-N 1 0 457.384 4.129 20 0 JIADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC001300279277 1068067424 /nfs/dbraw/zinc/06/74/24/1068067424.db2.gz GOWUZJJTVGIYDD-UHFFFAOYSA-N 1 0 459.590 4.458 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001300279501 1068067850 /nfs/dbraw/zinc/06/78/50/1068067850.db2.gz BNLGODRPSPGCON-QFQXNSOFSA-N 1 0 485.673 4.284 20 0 JIADRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001473366398 1068072190 /nfs/dbraw/zinc/07/21/90/1068072190.db2.gz SPJGKRLZHBYVGM-QUCCMNQESA-N 1 0 457.640 4.411 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300282630 1068077029 /nfs/dbraw/zinc/07/70/29/1068077029.db2.gz PDBRVYNBUOECGO-SFHVURJKSA-N 1 0 451.562 4.078 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)ccc21 ZINC001358391215 1068080447 /nfs/dbraw/zinc/08/04/47/1068080447.db2.gz UXTWUQBVMKTSJA-SFHVURJKSA-N 1 0 454.521 4.253 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300284262 1068080823 /nfs/dbraw/zinc/08/08/23/1068080823.db2.gz UPHRUIYOSAYEGC-PMACEKPBSA-N 1 0 477.600 4.469 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300284568 1068081073 /nfs/dbraw/zinc/08/10/73/1068081073.db2.gz QQYNEHRVWOJADL-RLWLMLJZSA-N 1 0 471.646 4.136 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001358456044 1068095406 /nfs/dbraw/zinc/09/54/06/1068095406.db2.gz DBFJFFUPZYEMMN-AVCGJXAMSA-N 1 0 470.614 4.085 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(SC)CCC2)cc1 ZINC001300291450 1068096823 /nfs/dbraw/zinc/09/68/23/1068096823.db2.gz OEWQPEYDISBFBR-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358471230 1068098666 /nfs/dbraw/zinc/09/86/66/1068098666.db2.gz YNWWWSJXYQCOLE-LJQANCHMSA-N 1 0 455.352 4.292 20 0 JIADRO COCCOC(=O)Nc1cccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001358491594 1068119278 /nfs/dbraw/zinc/11/92/78/1068119278.db2.gz MCMDWTIFUIRJCN-LJQANCHMSA-N 1 0 455.555 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001300296986 1068126711 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QLDFXGHAQWIHPG-LAUBAEHRSA-N 1 0 455.628 4.322 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300395757 1068532474 /nfs/dbraw/zinc/53/24/74/1068532474.db2.gz SWLVKMGUGJWREU-QPPBQGQZSA-N 1 0 485.673 4.094 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001300397249 1068537344 /nfs/dbraw/zinc/53/73/44/1068537344.db2.gz BGKZFPGTMWDZBL-NRFANRHFSA-N 1 0 498.672 4.322 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300399551 1068549477 /nfs/dbraw/zinc/54/94/77/1068549477.db2.gz HBWMONJECUHESJ-HYBUGGRVSA-N 1 0 469.674 4.310 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001353763397 1068560487 /nfs/dbraw/zinc/56/04/87/1068560487.db2.gz GQEDDWYPRIOSEB-UHFFFAOYSA-N 1 0 459.434 4.335 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300403778 1068562456 /nfs/dbraw/zinc/56/24/56/1068562456.db2.gz TVSKMKXSCGZHPJ-NFBKMPQASA-N 1 0 482.673 4.134 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300403780 1068562607 /nfs/dbraw/zinc/56/26/07/1068562607.db2.gz TVSKMKXSCGZHPJ-OFNKIYASSA-N 1 0 482.673 4.134 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCOc2ccc(F)cc2)CC1 ZINC001353773578 1068568350 /nfs/dbraw/zinc/56/83/50/1068568350.db2.gz GPTYLRDIWCPHFN-UHFFFAOYSA-N 1 0 453.480 4.072 20 0 JIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1nc(Br)ccc1Br ZINC001353775464 1068572425 /nfs/dbraw/zinc/57/24/25/1068572425.db2.gz ZYYOPHZZVGATSV-CQSZACIVSA-N 1 0 453.178 4.001 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CCO2)c1 ZINC001300410883 1068590188 /nfs/dbraw/zinc/59/01/88/1068590188.db2.gz VPZYYHZZVXNTFV-IFMALSPDSA-N 1 0 453.587 4.058 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300420700 1068633568 /nfs/dbraw/zinc/63/35/68/1068633568.db2.gz HNULRJCZUCTTBP-OALUTQOASA-N 1 0 468.671 4.399 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)c1 ZINC001300420907 1068635806 /nfs/dbraw/zinc/63/58/06/1068635806.db2.gz NMENAYZSZHRJTG-QFIPXVFZSA-N 1 0 484.645 4.091 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001300427180 1068664391 /nfs/dbraw/zinc/66/43/91/1068664391.db2.gz VQHOZGVRWNVDLB-ILWGZMRPSA-N 1 0 498.672 4.178 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)C1 ZINC001300434354 1068691246 /nfs/dbraw/zinc/69/12/46/1068691246.db2.gz KKIGFWRWECAKJS-RPWUZVMVSA-N 1 0 451.611 4.103 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C2)c1 ZINC001300436965 1068700128 /nfs/dbraw/zinc/70/01/28/1068700128.db2.gz ZIFFMTZFCHEAAH-JOCHJYFZSA-N 1 0 455.647 4.155 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)c1 ZINC001353884703 1068719962 /nfs/dbraw/zinc/71/99/62/1068719962.db2.gz OQYODNACDKREGI-UHFFFAOYSA-N 1 0 450.505 4.095 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c1 ZINC001353886190 1068721472 /nfs/dbraw/zinc/72/14/72/1068721472.db2.gz VOKGINQDUSBCIW-INIZCTEOSA-N 1 0 451.489 4.183 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001300442758 1068724523 /nfs/dbraw/zinc/72/45/23/1068724523.db2.gz QFFCAHOZRKBPNC-QFIPXVFZSA-N 1 0 468.690 4.423 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300463814 1068801843 /nfs/dbraw/zinc/80/18/43/1068801843.db2.gz FWWJTZPWMPLMII-XPNTWCBSSA-N 1 0 455.647 4.325 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001353961524 1068802684 /nfs/dbraw/zinc/80/26/84/1068802684.db2.gz RDGPDYARNJAHMQ-SFTDATJTSA-N 1 0 454.442 4.471 20 0 JIADRO COc1cccc(CNC(=S)Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c1OC ZINC001200517983 1068807665 /nfs/dbraw/zinc/80/76/65/1068807665.db2.gz POPAXAOJIXEBDJ-UHFFFAOYSA-N 1 0 496.677 4.281 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[NH+]1CCCCCC1 ZINC001300470714 1068811756 /nfs/dbraw/zinc/81/17/56/1068811756.db2.gz VFVAXQOSJKMMNW-UHFFFAOYSA-N 1 0 463.630 4.380 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300471435 1068813376 /nfs/dbraw/zinc/81/33/76/1068813376.db2.gz ZBCJUAXXEFWGLU-UHFFFAOYSA-N 1 0 468.690 4.244 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300480366 1068832970 /nfs/dbraw/zinc/83/29/70/1068832970.db2.gz ZEUBJDBKWRGOSJ-PMACEKPBSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300481114 1068835227 /nfs/dbraw/zinc/83/52/27/1068835227.db2.gz LRWBGBUICVNQSZ-AWRGLXIESA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001300481306 1068835926 /nfs/dbraw/zinc/83/59/26/1068835926.db2.gz OFQHSJXXJDNQKU-RTBURBONSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001300481564 1068836615 /nfs/dbraw/zinc/83/66/15/1068836615.db2.gz QTMFWOVENJBTSV-XMMPIXPASA-N 1 0 495.590 4.215 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492567757 1068837266 /nfs/dbraw/zinc/83/72/66/1068837266.db2.gz FNQJXMNFAVQBKJ-LJQANCHMSA-N 1 0 456.635 4.087 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300484400 1068841613 /nfs/dbraw/zinc/84/16/13/1068841613.db2.gz BYTPTSZFOFQXEM-QFIPXVFZSA-N 1 0 465.646 4.048 20 0 JIADRO COc1cc(NC(=S)N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(OC)cc1Cl ZINC001200534198 1068842192 /nfs/dbraw/zinc/84/21/92/1068842192.db2.gz AMWXNIFXLBXWHY-LQWHRVPQSA-N 1 0 490.073 4.126 20 0 JIADRO COc1cc(NC(=S)N2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(OC)cc1Cl ZINC001200534588 1068843492 /nfs/dbraw/zinc/84/34/92/1068843492.db2.gz GFPBEBOGXVBVKG-DUXKGJEZSA-N 1 0 498.089 4.034 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535126 1068845843 /nfs/dbraw/zinc/84/58/43/1068845843.db2.gz IKAVBGONBFWKMM-AEFFLSMTSA-N 1 0 462.015 4.200 20 0 JIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 ZINC001474575879 1068860199 /nfs/dbraw/zinc/86/01/99/1068860199.db2.gz FIZHBUFEJMKORA-NBHGPNQESA-N 1 0 465.516 4.041 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCCCCO ZINC001300498416 1068866924 /nfs/dbraw/zinc/86/69/24/1068866924.db2.gz NIIZWRVCAWMPOQ-JOCHJYFZSA-N 1 0 455.647 4.065 20 0 JIADRO CC[C@@](C[NH2+]Cc1c(F)ccc(I)c1F)(C(=O)OC)c1ccccc1 ZINC001474576340 1068867638 /nfs/dbraw/zinc/86/76/38/1068867638.db2.gz MRETYGSTWPNILS-IBGZPJMESA-N 1 0 459.274 4.180 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300513769 1068894929 /nfs/dbraw/zinc/89/49/29/1068894929.db2.gz PXLWVNFCQFHRFX-XUVXKRRUSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300517787 1068903406 /nfs/dbraw/zinc/90/34/06/1068903406.db2.gz NNPLDSKAKPIOFN-IEBWSBKVSA-N 1 0 481.544 4.086 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300519224 1068905923 /nfs/dbraw/zinc/90/59/23/1068905923.db2.gz AJIGXQNYGNGFOJ-ACRUOGEOSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300520465 1068910521 /nfs/dbraw/zinc/91/05/21/1068910521.db2.gz HVOFOGXBKIWGIQ-ZHALLVOQSA-N 1 0 451.537 4.320 20 0 JIADRO COc1ccccc1-c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300522250 1068916730 /nfs/dbraw/zinc/91/67/30/1068916730.db2.gz YPXKMKCEMWVCFG-FXAWDEMLSA-N 1 0 459.545 4.450 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300523703 1068921031 /nfs/dbraw/zinc/92/10/31/1068921031.db2.gz AOPJEFHPIOTVDD-FGZHOGPDSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300523702 1068921275 /nfs/dbraw/zinc/92/12/75/1068921275.db2.gz AOPJEFHPIOTVDD-FCHUYYIVSA-N 1 0 464.658 4.480 20 0 JIADRO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529000 1068936215 /nfs/dbraw/zinc/93/62/15/1068936215.db2.gz LIKJFCHWJMEKJD-FYYLOGMGSA-N 1 0 456.533 4.167 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300531279 1068942994 /nfs/dbraw/zinc/94/29/94/1068942994.db2.gz WEWGXFSYSYVOAW-PKTZIBPZSA-N 1 0 476.669 4.460 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200584609 1068953385 /nfs/dbraw/zinc/95/33/85/1068953385.db2.gz RJQGJEAHEQKDNM-IBGZPJMESA-N 1 0 470.054 4.405 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492569598 1068973643 /nfs/dbraw/zinc/97/36/43/1068973643.db2.gz BXGCEVCOIOMZGM-LJQANCHMSA-N 1 0 451.537 4.143 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001354208088 1068978596 /nfs/dbraw/zinc/97/85/96/1068978596.db2.gz PYVGRDJSRURNJN-QHCPKHFHSA-N 1 0 452.599 4.341 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)[C@H]1c1cccs1 ZINC001354209675 1068979975 /nfs/dbraw/zinc/97/99/75/1068979975.db2.gz JRASPUUPFIORIT-GIWBLDEGSA-N 1 0 455.624 4.439 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(NC(=S)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001200597265 1068986160 /nfs/dbraw/zinc/98/61/60/1068986160.db2.gz NXHNRIPQSCKUMD-MRXNPFEDSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001300549531 1068995381 /nfs/dbraw/zinc/99/53/81/1068995381.db2.gz YRWBVCJXQCIVTB-UHFFFAOYSA-N 1 0 467.658 4.173 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[N@H+](C)C(C)C ZINC001300549476 1068995539 /nfs/dbraw/zinc/99/55/39/1068995539.db2.gz XXLHOKVHQNZHKO-UHFFFAOYSA-N 1 0 451.537 4.307 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300551360 1069000105 /nfs/dbraw/zinc/00/01/05/1069000105.db2.gz CVVDKWIOJHLKHI-GOSISDBHSA-N 1 0 488.474 4.488 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001492586997 1069018658 /nfs/dbraw/zinc/01/86/58/1069018658.db2.gz ATSQDNKGVKKPGL-IRLDBZIGSA-N 1 0 497.581 4.407 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)(C)c1ccccn1 ZINC001300558034 1069019339 /nfs/dbraw/zinc/01/93/39/1069019339.db2.gz QZRKGVSPBQQOOX-UHFFFAOYSA-N 1 0 462.642 4.217 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@@](C)(O)C(C)C ZINC001492587588 1069026181 /nfs/dbraw/zinc/02/61/81/1069026181.db2.gz WFLVBANPWZRVSS-AREMUKBSSA-N 1 0 467.683 4.011 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300561313 1069032646 /nfs/dbraw/zinc/03/26/46/1069032646.db2.gz FHOXHTJZBNCTRA-GGAORHGYSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300563527 1069041258 /nfs/dbraw/zinc/04/12/58/1069041258.db2.gz RDZJXHLFKIFHJY-CTNGQTDRSA-N 1 0 495.590 4.157 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300563597 1069042018 /nfs/dbraw/zinc/04/20/18/1069042018.db2.gz NOIWWYGROGOFPL-HXUWFJFHSA-N 1 0 476.463 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849487150 1069052918 /nfs/dbraw/zinc/05/29/18/1069052918.db2.gz COKIXHFECLVPKT-JKSUJKDBSA-N 1 0 462.417 4.245 20 0 JIADRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849488333 1069053742 /nfs/dbraw/zinc/05/37/42/1069053742.db2.gz RNPDYTZFNCMKBJ-PKTZIBPZSA-N 1 0 474.634 4.028 20 0 JIADRO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849491105 1069057407 /nfs/dbraw/zinc/05/74/07/1069057407.db2.gz QZGFVIRJDGFSJC-UYAOXDASSA-N 1 0 453.612 4.313 20 0 JIADRO CC(C)c1c(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1Cl ZINC001300567699 1069063363 /nfs/dbraw/zinc/06/33/63/1069063363.db2.gz SYQFSCIEDAMBCT-FQEVSTJZSA-N 1 0 452.986 4.146 20 0 JIADRO CC(C)c1c(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1Cl ZINC001300567700 1069063400 /nfs/dbraw/zinc/06/34/00/1069063400.db2.gz SYQFSCIEDAMBCT-HXUWFJFHSA-N 1 0 452.986 4.146 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300568208 1069065730 /nfs/dbraw/zinc/06/57/30/1069065730.db2.gz QKYLZJCCVNGCLQ-RTWAWAEBSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496758 1069068596 /nfs/dbraw/zinc/06/85/96/1069068596.db2.gz BRWUQWUIIXVECL-RRPNLBNLSA-N 1 0 460.622 4.267 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001300569091 1069069892 /nfs/dbraw/zinc/06/98/92/1069069892.db2.gz DPDOCSKKQBQKLA-QFIPXVFZSA-N 1 0 455.480 4.264 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498871 1069070403 /nfs/dbraw/zinc/07/04/03/1069070403.db2.gz BJJMYYZKHCJINN-KMDXXIMOSA-N 1 0 498.096 4.086 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499736 1069071402 /nfs/dbraw/zinc/07/14/02/1069071402.db2.gz FHPQFHKEAZUCEZ-ARNLJNQMSA-N 1 0 464.585 4.310 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cn2)c1 ZINC000849502300 1069073791 /nfs/dbraw/zinc/07/37/91/1069073791.db2.gz ZPSDVIKKWHWUBF-ZEQRLZLVSA-N 1 0 461.610 4.355 20 0 JIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849502143 1069074631 /nfs/dbraw/zinc/07/46/31/1069074631.db2.gz PCHMYRKQIAZVQY-ZEQRLZLVSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(I)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849502401 1069074892 /nfs/dbraw/zinc/07/48/92/1069074892.db2.gz ZZIQJBLDOMCOKC-CVEARBPZSA-N 1 0 486.785 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849502244 1069075619 /nfs/dbraw/zinc/07/56/19/1069075619.db2.gz ZKMWKBSYRKGVFA-JKSUJKDBSA-N 1 0 458.456 4.076 20 0 JIADRO COc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502769 1069076741 /nfs/dbraw/zinc/07/67/41/1069076741.db2.gz SHDGIVIOUCSEIE-PMACEKPBSA-N 1 0 471.602 4.228 20 0 JIADRO Cc1ccccc1[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001492574551 1069081166 /nfs/dbraw/zinc/08/11/66/1069081166.db2.gz VEQSHOTXQQXACU-OAQYLSRUSA-N 1 0 487.446 4.262 20 0 JIADRO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849504893 1069083528 /nfs/dbraw/zinc/08/35/28/1069083528.db2.gz GEZKOODYCWDACR-XZOQPEGZSA-N 1 0 459.594 4.433 20 0 JIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849503730 1069083553 /nfs/dbraw/zinc/08/35/53/1069083553.db2.gz KNDWKSIHHJCSHV-ZEQRLZLVSA-N 1 0 453.631 4.135 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849508029 1069089746 /nfs/dbraw/zinc/08/97/46/1069089746.db2.gz UUFJNFKVBHCVES-VXKWHMMOSA-N 1 0 466.605 4.495 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507594 1069089946 /nfs/dbraw/zinc/08/99/46/1069089946.db2.gz DKFNFFACMVZZBJ-FGZHOGPDSA-N 1 0 466.973 4.392 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508635 1069090747 /nfs/dbraw/zinc/09/07/47/1069090747.db2.gz AHPGOSVECDCTTK-TZIWHRDSSA-N 1 0 485.510 4.365 20 0 JIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509368 1069090848 /nfs/dbraw/zinc/09/08/48/1069090848.db2.gz LYQNARJVXPGXLS-FCHUYYIVSA-N 1 0 461.448 4.434 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510561 1069095415 /nfs/dbraw/zinc/09/54/15/1069095415.db2.gz RWTQRHJGLPUERD-LEWJYISDSA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849511575 1069096141 /nfs/dbraw/zinc/09/61/41/1069096141.db2.gz ZVYNJUJLDKTRDA-JCYRPKCISA-N 1 0 470.621 4.027 20 0 JIADRO COCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000849512974 1069097203 /nfs/dbraw/zinc/09/72/03/1069097203.db2.gz OEYUYJSMPJODLH-YSZBQJHXSA-N 1 0 480.575 4.489 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513478 1069098182 /nfs/dbraw/zinc/09/81/82/1069098182.db2.gz SNPADWHJEVLGKQ-CLJLJLNGSA-N 1 0 458.606 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849515041 1069098651 /nfs/dbraw/zinc/09/86/51/1069098651.db2.gz DWJZAPMFYFQYMT-IPJJNNNSSA-N 1 0 465.425 4.141 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849516357 1069100669 /nfs/dbraw/zinc/10/06/69/1069100669.db2.gz KATNRGISYSDGMY-QZTJIDSGSA-N 1 0 475.424 4.424 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849515871 1069101672 /nfs/dbraw/zinc/10/16/72/1069101672.db2.gz NCJCBAMMQQEKDD-OIBXWCBGSA-N 1 0 497.043 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516998 1069103458 /nfs/dbraw/zinc/10/34/58/1069103458.db2.gz RRWCNQOIHWWNMU-LOSJGSFVSA-N 1 0 474.609 4.194 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516690 1069104424 /nfs/dbraw/zinc/10/44/24/1069104424.db2.gz ABPCVSXYEXCAQT-FGZHOGPDSA-N 1 0 485.510 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518311 1069105345 /nfs/dbraw/zinc/10/53/45/1069105345.db2.gz NNOLDPJDCAHJPR-IRLDBZIGSA-N 1 0 472.033 4.152 20 0 JIADRO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849518869 1069108788 /nfs/dbraw/zinc/10/87/88/1069108788.db2.gz HQVVSAHYEMJVSI-FCHUYYIVSA-N 1 0 466.607 4.462 20 0 JIADRO CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849519502 1069110890 /nfs/dbraw/zinc/11/08/90/1069110890.db2.gz JUOKYSJPQNSOQC-ZWKOTPCHSA-N 1 0 499.965 4.003 20 0 JIADRO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849522083 1069115263 /nfs/dbraw/zinc/11/52/63/1069115263.db2.gz WZGICGUOHRKWKB-DNQXCXABSA-N 1 0 486.620 4.279 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521817 1069115945 /nfs/dbraw/zinc/11/59/45/1069115945.db2.gz VHYKHDOOADURSZ-SFTDATJTSA-N 1 0 464.532 4.325 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849527071 1069124487 /nfs/dbraw/zinc/12/44/87/1069124487.db2.gz UGSPAELEKOEOFM-FGZHOGPDSA-N 1 0 481.000 4.173 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)s2)c1 ZINC000504202847 1069126399 /nfs/dbraw/zinc/12/63/99/1069126399.db2.gz FPEIIWAQEWYRTE-UHFFFAOYSA-N 1 0 460.003 4.387 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533359 1069139941 /nfs/dbraw/zinc/13/99/41/1069139941.db2.gz BCIAIQWQYPSJAY-JWQCQUIFSA-N 1 0 450.627 4.274 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001354366254 1069142792 /nfs/dbraw/zinc/14/27/92/1069142792.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 1 0 463.666 4.215 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)s2)c1 ZINC000504228135 1069145808 /nfs/dbraw/zinc/14/58/08/1069145808.db2.gz LXYIQRMWSCPNIJ-HDICACEKSA-N 1 0 481.622 4.068 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)s2)c1 ZINC000504228136 1069146803 /nfs/dbraw/zinc/14/68/03/1069146803.db2.gz LXYIQRMWSCPNIJ-QZTJIDSGSA-N 1 0 481.622 4.068 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534677 1069151537 /nfs/dbraw/zinc/15/15/37/1069151537.db2.gz LPSVKZRKFGISPU-NOZRDPDXSA-N 1 0 450.627 4.131 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCC1 ZINC001300590488 1069151357 /nfs/dbraw/zinc/15/13/57/1069151357.db2.gz DPJZBJGHYMMKIZ-UHFFFAOYSA-N 1 0 473.419 4.167 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300591245 1069154905 /nfs/dbraw/zinc/15/49/05/1069154905.db2.gz JYZFGEOMDRNPMC-WXVAWEFUSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300591805 1069157719 /nfs/dbraw/zinc/15/77/19/1069157719.db2.gz MFQOOQIFNFBFGV-QGZVFWFLSA-N 1 0 487.446 4.413 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@]3(C)CC(c4cccc(Cl)c4F)=NO3)CC2)c1 ZINC001300597213 1069176570 /nfs/dbraw/zinc/17/65/70/1069176570.db2.gz YQAKEHGWJBEETM-DEOSSOPVSA-N 1 0 459.949 4.152 20 0 JIADRO CCN(CC(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544077 1069176781 /nfs/dbraw/zinc/17/67/81/1069176781.db2.gz XJWAGHKYMFCCOM-DEOSSOPVSA-N 1 0 459.034 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849546626 1069185827 /nfs/dbraw/zinc/18/58/27/1069185827.db2.gz CQGLJBPGDHSDAV-VSGBNLITSA-N 1 0 490.648 4.350 20 0 JIADRO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCCC2 ZINC000849549244 1069186958 /nfs/dbraw/zinc/18/69/58/1069186958.db2.gz RLKVZSXEVFKANC-QUCCMNQESA-N 1 0 472.655 4.378 20 0 JIADRO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCCC2 ZINC000849549242 1069187084 /nfs/dbraw/zinc/18/70/84/1069187084.db2.gz RLKVZSXEVFKANC-AZUAARDMSA-N 1 0 472.655 4.378 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849548815 1069188304 /nfs/dbraw/zinc/18/83/04/1069188304.db2.gz OPXZXNMGGLVKCO-JWQCQUIFSA-N 1 0 496.633 4.069 20 0 JIADRO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552374 1069192447 /nfs/dbraw/zinc/19/24/47/1069192447.db2.gz FBNRWLWOUPOLPU-IFMALSPDSA-N 1 0 482.968 4.326 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551694 1069194650 /nfs/dbraw/zinc/19/46/50/1069194650.db2.gz BLMRIVCPHQNOIS-XTQVGHSUSA-N 1 0 458.940 4.293 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554018 1069198398 /nfs/dbraw/zinc/19/83/98/1069198398.db2.gz LFHBPTNJBBMLMA-VXKWHMMOSA-N 1 0 473.459 4.236 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849553654 1069198584 /nfs/dbraw/zinc/19/85/84/1069198584.db2.gz KAKLPNOLMXOBFC-YADHBBJMSA-N 1 0 456.587 4.211 20 0 JIADRO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849555728 1069201966 /nfs/dbraw/zinc/20/19/66/1069201966.db2.gz SMHYFTCMETXHPC-PKTZIBPZSA-N 1 0 472.593 4.220 20 0 JIADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556207 1069202470 /nfs/dbraw/zinc/20/24/70/1069202470.db2.gz AZKJAIMCOOTSHZ-VXNXHJTFSA-N 1 0 454.977 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849558374 1069204316 /nfs/dbraw/zinc/20/43/16/1069204316.db2.gz MXLSAHNLJSTTHZ-RZFJZAQRSA-N 1 0 499.659 4.450 20 0 JIADRO Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557738 1069205364 /nfs/dbraw/zinc/20/53/64/1069205364.db2.gz ITFVXJZEFGEYNT-RPBOFIJWSA-N 1 0 479.669 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849565457 1069214079 /nfs/dbraw/zinc/21/40/79/1069214079.db2.gz TWNJILGXYHBJBQ-SVBPBHIXSA-N 1 0 457.622 4.487 20 0 JIADRO CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849565283 1069215221 /nfs/dbraw/zinc/21/52/21/1069215221.db2.gz SRHLYRBXLBIAHO-FYYLOGMGSA-N 1 0 453.631 4.133 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849564727 1069215261 /nfs/dbraw/zinc/21/52/61/1069215261.db2.gz QJEZJUATRATDKE-NJAFHUGGSA-N 1 0 469.577 4.116 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849565349 1069215335 /nfs/dbraw/zinc/21/53/35/1069215335.db2.gz SVWJTXSHKZUQDB-JWQCQUIFSA-N 1 0 480.603 4.482 20 0 JIADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566048 1069217250 /nfs/dbraw/zinc/21/72/50/1069217250.db2.gz YFCRTDFYOSFIHB-GDIGMMSISA-N 1 0 488.455 4.219 20 0 JIADRO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571371 1069222261 /nfs/dbraw/zinc/22/22/61/1069222261.db2.gz IEXGVCSDSHZVOL-LADGPHEKSA-N 1 0 495.668 4.326 20 0 JIADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849572038 1069223711 /nfs/dbraw/zinc/22/37/11/1069223711.db2.gz MTKJTAHKJSXJGB-QZTJIDSGSA-N 1 0 473.419 4.005 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572331 1069223740 /nfs/dbraw/zinc/22/37/40/1069223740.db2.gz OCSGDZKLMYCVCK-JKSUJKDBSA-N 1 0 484.473 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849574290 1069225359 /nfs/dbraw/zinc/22/53/59/1069225359.db2.gz XGNLITXCBOALIU-SFTDATJTSA-N 1 0 459.432 4.366 20 0 JIADRO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1cc(F)cc(Br)c1 ZINC000849576975 1069228959 /nfs/dbraw/zinc/22/89/59/1069228959.db2.gz LKMFFSDJZNHTCW-NJYVYQBISA-N 1 0 465.411 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849576008 1069229133 /nfs/dbraw/zinc/22/91/33/1069229133.db2.gz BXGLHRQDGNDYOT-FDFHNCONSA-N 1 0 477.422 4.499 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849581330 1069231827 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COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696213 719892676 /nfs/dbraw/zinc/89/26/76/719892676.db2.gz CFRAPYJRFNRYFD-UHFFFAOYSA-N 1 0 472.998 4.003 20 0 JIADRO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2)n1 ZINC001164698472 719897053 /nfs/dbraw/zinc/89/70/53/719897053.db2.gz UQFQTZXLPZVFGP-UHFFFAOYSA-N 1 0 453.612 4.362 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716273 720109297 /nfs/dbraw/zinc/10/92/97/720109297.db2.gz KBMJRGCVMJJMDI-FQEVSTJZSA-N 1 0 473.017 4.123 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1C ZINC001164716032 720116636 /nfs/dbraw/zinc/11/66/36/720116636.db2.gz INIPTYQURXBBRR-HXUWFJFHSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164718586 720121965 /nfs/dbraw/zinc/12/19/65/720121965.db2.gz SWYOFXSADMIVGB-HSZRJFAPSA-N 1 0 460.626 4.449 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719549 720123487 /nfs/dbraw/zinc/12/34/87/720123487.db2.gz YUKUYEUGURHUDW-QFIPXVFZSA-N 1 0 486.060 4.120 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716938 720123914 /nfs/dbraw/zinc/12/39/14/720123914.db2.gz LTTKLKQOJHQZFG-FQEVSTJZSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164716943 720126420 /nfs/dbraw/zinc/12/64/20/720126420.db2.gz LZPHWBAFKGVTOW-SFHVURJKSA-N 1 0 488.970 4.126 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164713054 720135227 /nfs/dbraw/zinc/13/52/27/720135227.db2.gz PPFOHPMLULGQNR-QFIPXVFZSA-N 1 0 476.625 4.332 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164714785 720146618 /nfs/dbraw/zinc/14/66/18/720146618.db2.gz ZASARNDCJRAXON-GOSISDBHSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815542 720150715 /nfs/dbraw/zinc/15/07/15/720150715.db2.gz ICSDHZYNOVXGNA-LEAFIULHSA-N 1 0 463.622 4.369 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164712045 720151333 /nfs/dbraw/zinc/15/13/33/720151333.db2.gz KHRJDDWIFDVZME-RUZDIDTESA-N 1 0 473.621 4.267 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164714382 720155329 /nfs/dbraw/zinc/15/53/29/720155329.db2.gz WQWPADMLNGKYFD-FQEVSTJZSA-N 1 0 453.587 4.247 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164818698 720165051 /nfs/dbraw/zinc/16/50/51/720165051.db2.gz UDCAGZZMQDRIFJ-BVZFJXPGSA-N 1 0 458.002 4.250 20 0 JIADRO Cn1nnc2c1CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715439 720174164 /nfs/dbraw/zinc/17/41/64/720174164.db2.gz CCRIRTWJFFXRPQ-MHZLTWQESA-N 1 0 495.631 4.155 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810918 720200549 /nfs/dbraw/zinc/20/05/49/720200549.db2.gz FMNFFIVGGDHMFL-HRFSGMKKSA-N 1 0 491.039 4.439 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CCC2 ZINC001164813220 720234165 /nfs/dbraw/zinc/23/41/65/720234165.db2.gz LJLHHOAKGMHJOZ-UHFFFAOYSA-N 1 0 480.774 4.394 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CCCn5c(=O)cc(C[N@H+](C)C(C)C)nc5C4)c23)cc1 ZINC001164812123 720237594 /nfs/dbraw/zinc/23/75/94/720237594.db2.gz BPFZTQGWWHNSRV-UHFFFAOYSA-N 1 0 490.633 4.174 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164818270 720245110 /nfs/dbraw/zinc/24/51/10/720245110.db2.gz YCTSDGUANDLTCQ-UHFFFAOYSA-N 1 0 483.016 4.292 20 0 JIADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164815790 720260812 /nfs/dbraw/zinc/26/08/12/720260812.db2.gz FBUFMXWEFOFENZ-VQTJNVASSA-N 1 0 494.011 4.191 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001164820572 720312015 /nfs/dbraw/zinc/31/20/15/720312015.db2.gz HPJDXYGVWNQPFH-DQEYMECFSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001164828494 720332011 /nfs/dbraw/zinc/33/20/11/720332011.db2.gz JWMMGXWOIJDYME-FTJBHMTQSA-N 1 0 490.648 4.096 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001164828493 720332034 /nfs/dbraw/zinc/33/20/34/720332034.db2.gz JWMMGXWOIJDYME-CLJLJLNGSA-N 1 0 490.648 4.096 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164824199 720336675 /nfs/dbraw/zinc/33/66/75/720336675.db2.gz HMTCCZAHLIWLBR-YADHBBJMSA-N 1 0 479.625 4.409 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825975 720339537 /nfs/dbraw/zinc/33/95/37/720339537.db2.gz KASCDWYCCCGUII-LOSJGSFVSA-N 1 0 486.664 4.008 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164825006 720340314 /nfs/dbraw/zinc/34/03/14/720340314.db2.gz ILVUXKUBGNSQEB-GOTSBHOMSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001164824240 720345432 /nfs/dbraw/zinc/34/54/32/720345432.db2.gz HRSQCCMDIYMUHK-IZZNHLLZSA-N 1 0 455.606 4.208 20 0 JIADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726697 720350405 /nfs/dbraw/zinc/35/04/05/720350405.db2.gz RCPBHVLHUAOGIW-DQEYMECFSA-N 1 0 467.573 4.466 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164822328 720350468 /nfs/dbraw/zinc/35/04/68/720350468.db2.gz DHNFNSNPGYAPQP-RTBURBONSA-N 1 0 463.960 4.132 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164824303 720352263 /nfs/dbraw/zinc/35/22/63/720352263.db2.gz HVSACFKJTICCPY-OALUTQOASA-N 1 0 490.435 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001164830804 720355943 /nfs/dbraw/zinc/35/59/43/720355943.db2.gz XLNIRMWFBMUPCB-VQTJNVASSA-N 1 0 478.971 4.451 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164735587 720546248 /nfs/dbraw/zinc/54/62/48/720546248.db2.gz PWCCXCUQZKBQCL-IBGZPJMESA-N 1 0 457.688 4.420 20 0 JIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164734042 720546528 /nfs/dbraw/zinc/54/65/28/720546528.db2.gz GJZDLBICILPIPE-OAHLLOKOSA-N 1 0 451.949 4.253 20 0 JIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164734041 720546778 /nfs/dbraw/zinc/54/67/78/720546778.db2.gz GJZDLBICILPIPE-HNNXBMFYSA-N 1 0 451.949 4.253 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838016 720552283 /nfs/dbraw/zinc/55/22/83/720552283.db2.gz NIRHQFJNLTZQKP-NMVJMZGASA-N 1 0 473.600 4.193 20 0 JIADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733402 720556480 /nfs/dbraw/zinc/55/64/80/720556480.db2.gz MTIDJAWGJRFFRE-UHFFFAOYSA-N 1 0 467.351 4.337 20 0 JIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164727016 720560794 /nfs/dbraw/zinc/56/07/94/720560794.db2.gz ABLYORHLMZKJEA-UHFFFAOYSA-N 1 0 451.578 4.061 20 0 JIADRO Fc1ccc(-c2nnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c3ccccc32)cc1F ZINC001164736990 720580119 /nfs/dbraw/zinc/58/01/19/720580119.db2.gz XPBJTHRUKABOKV-UHFFFAOYSA-N 1 0 460.532 4.430 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736537 720584708 /nfs/dbraw/zinc/58/47/08/720584708.db2.gz NAJJHLUGUZQOGX-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164744954 720594893 /nfs/dbraw/zinc/59/48/93/720594893.db2.gz SNOMHDZUQAMMDM-UHFFFAOYSA-N 1 0 452.990 4.340 20 0 JIADRO COc1ccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)cc1 ZINC001164742365 720595203 /nfs/dbraw/zinc/59/52/03/720595203.db2.gz NADRSJHSADTENL-UHFFFAOYSA-N 1 0 488.970 4.206 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840125 720595855 /nfs/dbraw/zinc/59/58/55/720595855.db2.gz PBWFKMBENJKDTD-WRALFONMSA-N 1 0 459.642 4.194 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)c1 ZINC001164739143 720595860 /nfs/dbraw/zinc/59/58/60/720595860.db2.gz FOVUEBMVGBWJKA-UHFFFAOYSA-N 1 0 488.970 4.206 20 0 JIADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164839489 720600527 /nfs/dbraw/zinc/60/05/27/720600527.db2.gz NKZDIFDFYWOWDB-WSTZPKSXSA-N 1 0 450.656 4.317 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835271 720605775 /nfs/dbraw/zinc/60/57/75/720605775.db2.gz AUYPLEBCKNNZDJ-XPWALMASSA-N 1 0 493.725 4.478 20 0 JIADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837234 720634504 /nfs/dbraw/zinc/63/45/04/720634504.db2.gz HRXGCGGTJZXOEB-ZFGGDYGUSA-N 1 0 462.598 4.160 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)CC[C@@H]21 ZINC001164843131 720642867 /nfs/dbraw/zinc/64/28/67/720642867.db2.gz WNFYDKKYPOTIAM-ZJOUEHCJSA-N 1 0 452.990 4.497 20 0 JIADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737305 720679976 /nfs/dbraw/zinc/67/99/76/720679976.db2.gz FITPJVLRIDKNDO-LSDHHAIUSA-N 1 0 466.319 4.218 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844502 720687705 /nfs/dbraw/zinc/68/77/05/720687705.db2.gz SPQDBPCDWVEITR-GOSISDBHSA-N 1 0 479.955 4.326 20 0 JIADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737630 720691948 /nfs/dbraw/zinc/69/19/48/720691948.db2.gz GSPDQQWVWLVSPL-PMACEKPBSA-N 1 0 458.953 4.082 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840388 720704757 /nfs/dbraw/zinc/70/47/57/720704757.db2.gz QGEOKPOVSSTEJJ-VWLOTQADSA-N 1 0 457.622 4.470 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164838169 720707385 /nfs/dbraw/zinc/70/73/85/720707385.db2.gz GZVBKYNIRAVXIA-MRXNPFEDSA-N 1 0 454.974 4.224 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164839017 720721323 /nfs/dbraw/zinc/72/13/23/720721323.db2.gz KHFLAWDQKPCPSL-QHCPKHFHSA-N 1 0 455.606 4.287 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164840908 720722504 /nfs/dbraw/zinc/72/25/04/720722504.db2.gz SHKHUWAASXHOEZ-HHHXNRCGSA-N 1 0 499.659 4.240 20 0 JIADRO O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccccc1 ZINC001164847454 720769554 /nfs/dbraw/zinc/76/95/54/720769554.db2.gz MKQNZMUMXNVWHN-LEWJYISDSA-N 1 0 458.940 4.431 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164740004 720848272 /nfs/dbraw/zinc/84/82/72/720848272.db2.gz BLMMQJDKSHSUEZ-SLYNCCJLSA-N 1 0 483.979 4.032 20 0 JIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164740002 720848554 /nfs/dbraw/zinc/84/85/54/720848554.db2.gz BLMMQJDKSHSUEZ-FBBABVLZSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]2C1 ZINC001164852228 720850312 /nfs/dbraw/zinc/85/03/12/720850312.db2.gz JEMJYXKMGQAKRP-KUHUBIRLSA-N 1 0 460.352 4.260 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]2C1 ZINC001164852226 720850407 /nfs/dbraw/zinc/85/04/07/720850407.db2.gz JEMJYXKMGQAKRP-AUUYWEPGSA-N 1 0 460.352 4.260 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748885 720858358 /nfs/dbraw/zinc/85/83/58/720858358.db2.gz MUTRWNSUEHNYSQ-JAXLGGSGSA-N 1 0 480.016 4.202 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164861530 720861608 /nfs/dbraw/zinc/86/16/08/720861608.db2.gz XXSOLPXLHPKDSK-FDDCHVKYSA-N 1 0 470.976 4.263 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC[C@H]2C1 ZINC001164852606 720867175 /nfs/dbraw/zinc/86/71/75/720867175.db2.gz DQLHWFOJBNDVMA-HKUYNNGSSA-N 1 0 459.015 4.185 20 0 JIADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755913 720869552 /nfs/dbraw/zinc/86/95/52/720869552.db2.gz ZYFYBWQKNPVTFP-QFQXNSOFSA-N 1 0 485.028 4.062 20 0 JIADRO FC(F)(c1cccnc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749648 720870473 /nfs/dbraw/zinc/87/04/73/720870473.db2.gz HPHZQAXDCOLHJB-NZQKXSOJSA-N 1 0 462.972 4.430 20 0 JIADRO COCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccccc2)n1 ZINC001164748508 720873642 /nfs/dbraw/zinc/87/36/42/720873642.db2.gz FPZLSPRUTAGBAF-PDDLMNHVSA-N 1 0 499.659 4.440 20 0 JIADRO COc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164750649 720874894 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WNQPWJAVYODHTQ-IBGZPJMESA-N 1 0 475.033 4.026 20 0 JIADRO Cc1nc(CN2CC[C@]3(CCCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2=O)cs1 ZINC001164889656 721461088 /nfs/dbraw/zinc/46/10/88/721461088.db2.gz OYCNQAFUMSEEQO-NDEPHWFRSA-N 1 0 487.673 4.424 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164784461 721464513 /nfs/dbraw/zinc/46/45/13/721464513.db2.gz IDIXNYZCJCVZTN-IBGZPJMESA-N 1 0 483.003 4.495 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164789905 721468339 /nfs/dbraw/zinc/46/83/39/721468339.db2.gz OYMHAAJFRFMCAU-SANMLTNESA-N 1 0 493.648 4.173 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164786731 721469104 /nfs/dbraw/zinc/46/91/04/721469104.db2.gz CBNYFXGETDMIRB-FQEVSTJZSA-N 1 0 472.580 4.156 20 0 JIADRO CCc1ccc(-c2ccc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787492 721469542 /nfs/dbraw/zinc/46/95/42/721469542.db2.gz GFVPMGPDOIWIRW-RUZDIDTESA-N 1 0 464.654 4.440 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164789219 721470315 /nfs/dbraw/zinc/47/03/15/721470315.db2.gz LWZRTXLMMZLLTB-LJQANCHMSA-N 1 0 462.997 4.156 20 0 JIADRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164896644 721474996 /nfs/dbraw/zinc/47/49/96/721474996.db2.gz XEXAXTKVCIOYQT-GDLZYMKVSA-N 1 0 467.617 4.197 20 0 JIADRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164897020 721476065 /nfs/dbraw/zinc/47/60/65/721476065.db2.gz ZNSHWIMXSYQVKM-XMMPIXPASA-N 1 0 487.982 4.213 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164792752 721489810 /nfs/dbraw/zinc/48/98/10/721489810.db2.gz LIOVBSKEOHHLTO-UHFFFAOYSA-N 1 0 484.604 4.335 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792210 721496480 /nfs/dbraw/zinc/49/64/80/721496480.db2.gz KIZXBUUBZWPIMY-UHFFFAOYSA-N 1 0 464.397 4.236 20 0 JIADRO CN(C)c1cc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(Cl)n1 ZINC001164795221 721503001 /nfs/dbraw/zinc/50/30/01/721503001.db2.gz HIXRPSQUEOAPFA-UHFFFAOYSA-N 1 0 450.965 4.017 20 0 JIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164904302 721551389 /nfs/dbraw/zinc/55/13/89/721551389.db2.gz DVLRZCQKJAGLFX-HKUYNNGSSA-N 1 0 475.902 4.218 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@@H+]3C2)c1 ZINC001164905326 721557398 /nfs/dbraw/zinc/55/73/98/721557398.db2.gz GTDHGWIHZGVOAG-SJLPKXTDSA-N 1 0 475.902 4.218 20 0 JIADRO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164804020 721573801 /nfs/dbraw/zinc/57/38/01/721573801.db2.gz KSJJKSSTSVMYBN-CMTIAEDTSA-N 1 0 472.589 4.107 20 0 JIADRO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904292 721586035 /nfs/dbraw/zinc/58/60/35/721586035.db2.gz FHXHINVCBILDNF-IBGZPJMESA-N 1 0 458.887 4.421 20 0 JIADRO O=C(NCc1ccccc1)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908525 721586500 /nfs/dbraw/zinc/58/65/00/721586500.db2.gz ZXCHGQYMWLUZRQ-AREMUKBSSA-N 1 0 477.559 4.144 20 0 JIADRO COCCN(C)c1nc(C2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)cc2c1ncn2C(C)C ZINC001165007572 721693525 /nfs/dbraw/zinc/69/35/25/721693525.db2.gz GAUYPQKSQLKTAB-UHFFFAOYSA-N 1 0 491.684 4.470 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904964 721703992 /nfs/dbraw/zinc/70/39/92/721703992.db2.gz FXMABMUSXATUGD-NRFANRHFSA-N 1 0 497.999 4.161 20 0 JIADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164907032 721706361 /nfs/dbraw/zinc/70/63/61/721706361.db2.gz PQHVQNFBHWAVCR-OAQYLSRUSA-N 1 0 450.917 4.044 20 0 JIADRO FC(F)(COc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905540 721713015 /nfs/dbraw/zinc/71/30/15/721713015.db2.gz HFQBOHYIIZBCJL-IBGZPJMESA-N 1 0 458.887 4.335 20 0 JIADRO COc1cccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907337 721715653 /nfs/dbraw/zinc/71/56/53/721715653.db2.gz QZDBPYIAOCSEGB-XMMPIXPASA-N 1 0 451.521 4.285 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905609 721717718 /nfs/dbraw/zinc/71/77/18/721717718.db2.gz HXYVYLXIMBPNMA-AREMUKBSSA-N 1 0 494.590 4.148 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907365 721723630 /nfs/dbraw/zinc/72/36/30/721723630.db2.gz RDAJEAMCGAGMGT-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001165012589 721747853 /nfs/dbraw/zinc/74/78/53/721747853.db2.gz LANOEIKFMUNUEK-UHFFFAOYSA-N 1 0 468.045 4.199 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]21 ZINC001165020487 721804638 /nfs/dbraw/zinc/80/46/38/721804638.db2.gz FUSCWFNIMNGETE-MISYRCLQSA-N 1 0 477.003 4.407 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165017894 721807847 /nfs/dbraw/zinc/80/78/47/721807847.db2.gz BBWFOAIMCGNOEE-CWFSZBLJSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020799 721812755 /nfs/dbraw/zinc/81/27/55/721812755.db2.gz DCJSKYHBONVAMM-UCNVEGJOSA-N 1 0 465.985 4.202 20 0 JIADRO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165023544 721813175 /nfs/dbraw/zinc/81/31/75/721813175.db2.gz HTUCCMBMYOITSY-MDKPJZGXSA-N 1 0 468.001 4.432 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C[C@@H]21 ZINC001165024715 721815777 /nfs/dbraw/zinc/81/57/77/721815777.db2.gz KKBBENLJPFAICJ-DZFGPLHGSA-N 1 0 456.034 4.395 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928705 721836861 /nfs/dbraw/zinc/83/68/61/721836861.db2.gz XXSPYQCVSFBVPX-JQYIIUTOSA-N 1 0 450.631 4.073 20 0 JIADRO COc1ccc2nc(Cl)nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165018480 721837831 /nfs/dbraw/zinc/83/78/31/721837831.db2.gz ZNRDETRJCHEWGB-UHFFFAOYSA-N 1 0 456.974 4.410 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c(Cl)nc(Cl)nc32)CC1 ZINC001165023464 721839409 /nfs/dbraw/zinc/83/94/09/721839409.db2.gz YPUFWTXNEAOOPE-UHFFFAOYSA-N 1 0 497.814 4.498 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)c1 ZINC001165023136 721844442 /nfs/dbraw/zinc/84/44/42/721844442.db2.gz XPYFGJFFTQIITR-UHFFFAOYSA-N 1 0 478.593 4.279 20 0 JIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c2ccccc21 ZINC001164923641 721869855 /nfs/dbraw/zinc/86/98/55/721869855.db2.gz JJEOVHCXGQIPLM-RTWAWAEBSA-N 1 0 474.987 4.048 20 0 JIADRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)C1 ZINC001165037121 721895544 /nfs/dbraw/zinc/89/55/44/721895544.db2.gz VAPXKSCULRHFNW-XMMPIXPASA-N 1 0 464.635 4.003 20 0 JIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c2)C1 ZINC001165036512 721896111 /nfs/dbraw/zinc/89/61/11/721896111.db2.gz SBYPNKMMUFFYLW-MRXNPFEDSA-N 1 0 495.983 4.159 20 0 JIADRO Clc1ncc2c(c1N1CCN(C[C@@H]3CCCO3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165039218 721916091 /nfs/dbraw/zinc/91/60/91/721916091.db2.gz RKKGKZUKGNHIJP-QFIPXVFZSA-N 1 0 483.056 4.058 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925089 /nfs/dbraw/zinc/92/50/89/721925089.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 1 0 483.660 4.215 20 0 JIADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]12 ZINC001164944943 721968361 /nfs/dbraw/zinc/96/83/61/721968361.db2.gz KRZQEAWFFQIJKP-NOZRDPDXSA-N 1 0 486.994 4.426 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164956216 722022014 /nfs/dbraw/zinc/02/20/14/722022014.db2.gz YTJVLSIJIVXZDN-UHFFFAOYSA-N 1 0 492.693 4.028 20 0 JIADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164960902 722030241 /nfs/dbraw/zinc/03/02/41/722030241.db2.gz UYMPBCQTFJEDAV-XUVXKRRUSA-N 1 0 480.918 4.006 20 0 JIADRO FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958744 722053083 /nfs/dbraw/zinc/05/30/83/722053083.db2.gz FZIYXBOFHOFLHK-UHFFFAOYSA-N 1 0 457.352 4.447 20 0 JIADRO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)o2)cc1 ZINC001164961608 722059805 /nfs/dbraw/zinc/05/98/05/722059805.db2.gz MSEJFOXLMJMGLO-UHFFFAOYSA-N 1 0 470.577 4.107 20 0 JIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978942 722139989 /nfs/dbraw/zinc/13/99/89/722139989.db2.gz LCPOJOXVVUHIDX-AVRDEDQJSA-N 1 0 469.948 4.184 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974326 722141633 /nfs/dbraw/zinc/14/16/33/722141633.db2.gz DGJZSOHSWUAQGX-XZOQPEGZSA-N 1 0 492.693 4.026 20 0 JIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164982782 722147742 /nfs/dbraw/zinc/14/77/42/722147742.db2.gz SLDBGFXUQRHAKE-YIXXDRMTSA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164982779 722148062 /nfs/dbraw/zinc/14/80/62/722148062.db2.gz SLDBGFXUQRHAKE-HOFKKMOUSA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164972722 722153839 /nfs/dbraw/zinc/15/38/39/722153839.db2.gz JCJAIBCWEBXJQJ-YWEHKCAJSA-N 1 0 481.600 4.331 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974769 722154467 /nfs/dbraw/zinc/15/44/67/722154467.db2.gz PQVIZFYWORZVAE-NZQKXSOJSA-N 1 0 465.985 4.353 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971179 722155664 /nfs/dbraw/zinc/15/56/64/722155664.db2.gz BCIISJLWIWWSCG-AVRDEDQJSA-N 1 0 469.948 4.184 20 0 JIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973146 722156303 /nfs/dbraw/zinc/15/63/03/722156303.db2.gz LJQKAAXIUOOMBQ-XXBNENTESA-N 1 0 481.984 4.053 20 0 JIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972791 722156332 /nfs/dbraw/zinc/15/63/32/722156332.db2.gz JPKLPAFBXLDWKI-WMZHIEFXSA-N 1 0 481.984 4.053 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977850 722158794 /nfs/dbraw/zinc/15/87/94/722158794.db2.gz YWXNSCJECPELDM-HTAPYJJXSA-N 1 0 456.949 4.158 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CCC2 ZINC001165003776 722257153 /nfs/dbraw/zinc/25/71/53/722257153.db2.gz HHZLEMRBIQLIAR-UHFFFAOYSA-N 1 0 468.605 4.496 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CCC2 ZINC001165003694 722257976 /nfs/dbraw/zinc/25/79/76/722257976.db2.gz GHFOPRAQEQSBNM-UHFFFAOYSA-N 1 0 477.396 4.261 20 0 JIADRO Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(Cl)nn2)c1 ZINC001165004112 722258196 /nfs/dbraw/zinc/25/81/96/722258196.db2.gz NCSBHJMVOYLXPF-UHFFFAOYSA-N 1 0 490.986 4.335 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300643047 1069311969 /nfs/dbraw/zinc/31/19/69/1069311969.db2.gz PDUYBNDXOTUPSI-GOSISDBHSA-N 1 0 451.562 4.078 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300647090 1069322967 /nfs/dbraw/zinc/32/29/67/1069322967.db2.gz AUYXYIBSNSCONO-FCHUYYIVSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300658070 1069360138 /nfs/dbraw/zinc/36/01/38/1069360138.db2.gz AITRUJVXZRHWRR-HXUWFJFHSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300661839 1069375226 /nfs/dbraw/zinc/37/52/26/1069375226.db2.gz YBGDSFYVUAXBAL-WOJBJXKFSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300662234 1069376880 /nfs/dbraw/zinc/37/68/80/1069376880.db2.gz ZCFLZHRPKLHTQK-IFMALSPDSA-N 1 0 478.641 4.293 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300663081 1069380517 /nfs/dbraw/zinc/38/05/17/1069380517.db2.gz WBGCQOYFGGVVIK-VAPDBKPJSA-N 1 0 471.646 4.164 20 0 JIADRO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(I)cc1Cl ZINC001354608004 1069390859 /nfs/dbraw/zinc/39/08/59/1069390859.db2.gz YTRUTWXBOYILTG-INIZCTEOSA-N 1 0 458.727 4.413 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300668352 1069393873 /nfs/dbraw/zinc/39/38/73/1069393873.db2.gz YJKMBQSOCWSMJX-LEWJYISDSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300669502 1069397468 /nfs/dbraw/zinc/39/74/68/1069397468.db2.gz LSYUYQMJALBSFQ-KDURUIRLSA-N 1 0 459.660 4.067 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCC(C)CC1 ZINC001359348198 1069423331 /nfs/dbraw/zinc/42/33/31/1069423331.db2.gz BMEMNQSTLVXIQF-XLNRJJMWSA-N 1 0 461.658 4.411 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(CC4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)c(F)c1 ZINC001359350272 1069429169 /nfs/dbraw/zinc/42/91/69/1069429169.db2.gz YEDZCIYUIWZDAX-UHFFFAOYSA-N 1 0 484.664 4.267 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359351612 1069434104 /nfs/dbraw/zinc/43/41/04/1069434104.db2.gz SBPUSNCSXJQCOO-LJQANCHMSA-N 1 0 473.065 4.310 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]2C(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300678071 1069434847 /nfs/dbraw/zinc/43/48/47/1069434847.db2.gz BOQTVHQJWSNLFP-NRFANRHFSA-N 1 0 487.714 4.439 20 0 JIADRO CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001359369066 1069470411 /nfs/dbraw/zinc/47/04/11/1069470411.db2.gz UDDHSSRVKGEYJU-QHCPKHFHSA-N 1 0 480.701 4.279 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001359386050 1069493998 /nfs/dbraw/zinc/49/39/98/1069493998.db2.gz RXHFCYNBBIDXHY-HXUWFJFHSA-N 1 0 473.065 4.312 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001359386864 1069495711 /nfs/dbraw/zinc/49/57/11/1069495711.db2.gz PSXONZXOXBZPKT-QHCPKHFHSA-N 1 0 466.674 4.357 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001359393585 1069498669 /nfs/dbraw/zinc/49/86/69/1069498669.db2.gz XJSFUJIVTRBMCS-NRFANRHFSA-N 1 0 487.092 4.091 20 0 JIADRO CC(=O)Nc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001359405681 1069514183 /nfs/dbraw/zinc/51/41/83/1069514183.db2.gz DHTKQHZFPLTFCO-UHFFFAOYSA-N 1 0 475.641 4.212 20 0 JIADRO CC(=O)Nc1ccc(Cn2c(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)nnc2C(C)(C)C)cn1 ZINC001359408417 1069519395 /nfs/dbraw/zinc/51/93/95/1069519395.db2.gz OAHJTXVOGWGKBG-FQEVSTJZSA-N 1 0 481.689 4.458 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359413664 1069535294 /nfs/dbraw/zinc/53/52/94/1069535294.db2.gz IAGOSMZAVNBSRB-WNMGUVTHSA-N 1 0 498.691 4.402 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359414744 1069539548 /nfs/dbraw/zinc/53/95/48/1069539548.db2.gz XHAXQDBSKVKJQX-DDBVPJQNSA-N 1 0 494.728 4.315 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359416990 1069542767 /nfs/dbraw/zinc/54/27/67/1069542767.db2.gz ONHCRSYEUHZKSN-LADGPHEKSA-N 1 0 484.689 4.259 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359418808 1069546616 /nfs/dbraw/zinc/54/66/16/1069546616.db2.gz ZTRNDSBSPZQBGK-NQIIRXRSSA-N 1 0 491.055 4.355 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001359423967 1069548477 /nfs/dbraw/zinc/54/84/77/1069548477.db2.gz TZUZMCOCWRZBQH-RUZDIDTESA-N 1 0 496.700 4.029 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359425948 1069551465 /nfs/dbraw/zinc/55/14/65/1069551465.db2.gz QUQLNZIHYFKJMI-NFBKMPQASA-N 1 0 494.640 4.036 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359429977 1069554492 /nfs/dbraw/zinc/55/44/92/1069554492.db2.gz CUIVWJXDLMRVLI-SZPZYZBQSA-N 1 0 496.700 4.027 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359438087 1069567109 /nfs/dbraw/zinc/56/71/09/1069567109.db2.gz SUBFQAJPJCQJEO-WIOPSUGQSA-N 1 0 480.701 4.042 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359438582 1069567388 /nfs/dbraw/zinc/56/73/88/1069567388.db2.gz DETAEUXIBWTQED-FQEVSTJZSA-N 1 0 491.105 4.062 20 0 JIADRO C[C@H]([C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001359479852 1069650736 /nfs/dbraw/zinc/65/07/36/1069650736.db2.gz OIMMENKSMYGIGP-RBUKOAKNSA-N 1 0 493.743 4.019 20 0 JIADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001359490597 1069694630 /nfs/dbraw/zinc/69/46/30/1069694630.db2.gz XDUDVFYUNVRBNB-HSZRJFAPSA-N 1 0 484.664 4.015 20 0 JIADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359490619 1069694806 /nfs/dbraw/zinc/69/48/06/1069694806.db2.gz XSVAPOPKPWKAKG-DHIUTWEWSA-N 1 0 488.721 4.307 20 0 JIADRO CC(C)(C)c1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCN2CCOCC2)cc1 ZINC001359497452 1069738162 /nfs/dbraw/zinc/73/81/62/1069738162.db2.gz SFRSIENCQFTKMF-UHFFFAOYSA-N 1 0 482.717 4.276 20 0 JIADRO CC(C)(C)c1ccc(OCc2nnc(N3CCCC3(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001359497921 1069742306 /nfs/dbraw/zinc/74/23/06/1069742306.db2.gz IGXGRUGUHQOAIX-QFIPXVFZSA-N 1 0 469.674 4.380 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001359520093 1069807718 /nfs/dbraw/zinc/80/77/18/1069807718.db2.gz ZBFFJAWBVXQJAE-UXHICEINSA-N 1 0 461.054 4.103 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(=O)NCCc1ccccc1 ZINC001359535723 1069830080 /nfs/dbraw/zinc/83/00/80/1069830080.db2.gz XMZYFSISGFQXCI-VWLOTQADSA-N 1 0 494.728 4.318 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1CCCC1 ZINC001359536946 1069831312 /nfs/dbraw/zinc/83/13/12/1069831312.db2.gz DQVZDDCNNGFWBL-UHFFFAOYSA-N 1 0 487.092 4.359 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCOC[C@H]1CCOC1 ZINC001359537426 1069832448 /nfs/dbraw/zinc/83/24/48/1069832448.db2.gz XYTAHEKSGHMTSZ-XMMPIXPASA-N 1 0 469.674 4.022 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[NH+]1CCSCC1 ZINC001359541722 1069839581 /nfs/dbraw/zinc/83/95/81/1069839581.db2.gz HINOERPSDPQJSC-FQEVSTJZSA-N 1 0 482.069 4.286 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001300794507 1069845638 /nfs/dbraw/zinc/84/56/38/1069845638.db2.gz FAYRHJYEOFRPAC-CNNODRBYSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001300794915 1069846564 /nfs/dbraw/zinc/84/65/64/1069846564.db2.gz LPYZZINAXWVREE-LVCYWYKZSA-N 1 0 493.494 4.172 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492595503 1069846598 /nfs/dbraw/zinc/84/65/98/1069846598.db2.gz BKCGBQVZWYGAHM-HXUWFJFHSA-N 1 0 482.673 4.337 20 0 JIADRO CC(C)(C)CCCn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359545806 1069848790 /nfs/dbraw/zinc/84/87/90/1069848790.db2.gz GSCZBRJMCQNBTR-DEOSSOPVSA-N 1 0 453.675 4.438 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccncc2)CC1 ZINC001359546505 1069850425 /nfs/dbraw/zinc/85/04/25/1069850425.db2.gz HJIHTEHDBCXAQD-UHFFFAOYSA-N 1 0 486.462 4.232 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001359546764 1069851161 /nfs/dbraw/zinc/85/11/61/1069851161.db2.gz PEBAMORWPMJWFY-UHFFFAOYSA-N 1 0 494.728 4.469 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2=CCCOC2)CC1 ZINC001359548193 1069854718 /nfs/dbraw/zinc/85/47/18/1069854718.db2.gz QXDDOMPGWBCRDB-UHFFFAOYSA-N 1 0 461.557 4.204 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2(O)CCOCC2)CC1 ZINC001359548206 1069854839 /nfs/dbraw/zinc/85/48/39/1069854839.db2.gz REBQWNNSHZLTAW-UHFFFAOYSA-N 1 0 496.483 4.494 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC2)CC1 ZINC001359548355 1069855069 /nfs/dbraw/zinc/85/50/69/1069855069.db2.gz XMKVAULCWVLJFZ-HNNXBMFYSA-N 1 0 468.465 4.116 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC(F)F)CC1 ZINC001359548559 1069855510 /nfs/dbraw/zinc/85/55/10/1069855510.db2.gz GKHUIQQGZDILLO-UHFFFAOYSA-N 1 0 490.368 4.397 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCCCC2=O)CC1 ZINC001359548616 1069855622 /nfs/dbraw/zinc/85/56/22/1069855622.db2.gz JJCVEVAUYFGVKB-UHFFFAOYSA-N 1 0 496.700 4.003 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC2CCCC2)CC1 ZINC001359548625 1069855699 /nfs/dbraw/zinc/85/56/99/1069855699.db2.gz JTZJUWFWLDFNAO-UHFFFAOYSA-N 1 0 473.687 4.240 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCC2)CC1 ZINC001359549120 1069857187 /nfs/dbraw/zinc/85/71/87/1069857187.db2.gz COIACMPXOPGFCD-UHFFFAOYSA-N 1 0 482.854 4.197 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2cc(Br)cs2)CC1 ZINC001359548792 1069856078 /nfs/dbraw/zinc/85/60/78/1069856078.db2.gz QXXGUECQQZIPPZ-UHFFFAOYSA-N 1 0 489.487 4.447 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCCC2)CC1 ZINC001359549905 1069858129 /nfs/dbraw/zinc/85/81/29/1069858129.db2.gz HAPSNNMIVMNWDR-UHFFFAOYSA-N 1 0 458.676 4.161 20 0 JIADRO CC(C)(C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359550968 1069860286 /nfs/dbraw/zinc/86/02/86/1069860286.db2.gz WAJVWDVSDDRBCP-UHFFFAOYSA-N 1 0 473.065 4.358 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001359558048 1069876966 /nfs/dbraw/zinc/87/69/66/1069876966.db2.gz WALNJVQKMYXURE-PMACEKPBSA-N 1 0 460.667 4.040 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359565799 1069897936 /nfs/dbraw/zinc/89/79/36/1069897936.db2.gz BUNVCTHHVNRTHR-JOCHJYFZSA-N 1 0 497.688 4.347 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359574096 1069958988 /nfs/dbraw/zinc/95/89/88/1069958988.db2.gz NUIPORGRHVDRFG-FCHUYYIVSA-N 1 0 490.693 4.137 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCC2)C1 ZINC001359576805 1069979101 /nfs/dbraw/zinc/97/91/01/1069979101.db2.gz UMVGSPCFNLMWGD-SFHVURJKSA-N 1 0 475.037 4.188 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359579501 1069995577 /nfs/dbraw/zinc/99/55/77/1069995577.db2.gz MARZGRLGHUXNLD-RTWAWAEBSA-N 1 0 473.637 4.105 20 0 JIADRO 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COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CC2CC[NH+](CCC(C)C)CC2)cc1O ZINC001315473411 1064315138 /nfs/dbraw/zinc/31/51/38/1064315138.db2.gz GEBRIASJNQDTBV-UHFFFAOYSA-N 1 0 480.657 4.392 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CC=CCC2)cc1OC(F)F ZINC001315477145 1064329738 /nfs/dbraw/zinc/32/97/38/1064329738.db2.gz XDJWYXFXKWJREN-UHFFFAOYSA-N 1 0 473.524 4.355 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001315477968 1064332371 /nfs/dbraw/zinc/33/23/71/1064332371.db2.gz ZNYOZBJUJFOLMK-UXHICEINSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC001315478681 1064333923 /nfs/dbraw/zinc/33/39/23/1064333923.db2.gz XHZVDUQVDCXSHQ-HYBUGGRVSA-N 1 0 471.646 4.382 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)C[NH+]2CCCC2)cc1F ZINC001315479433 1064336232 /nfs/dbraw/zinc/33/62/32/1064336232.db2.gz KPTYSFNNVJFBKR-QGZVFWFLSA-N 1 0 472.634 4.150 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCC[NH+]2CCCCC2)cc1F ZINC001315479434 1064336375 /nfs/dbraw/zinc/33/63/75/1064336375.db2.gz KTDMHOCTEOSOPM-UHFFFAOYSA-N 1 0 472.634 4.294 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001315479580 1064337214 /nfs/dbraw/zinc/33/72/14/1064337214.db2.gz MGGLOUMWPNWGQH-UHFFFAOYSA-N 1 0 498.697 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1F ZINC001315483138 1064347944 /nfs/dbraw/zinc/34/79/44/1064347944.db2.gz KTRKJFTWFKLDTA-NRFANRHFSA-N 1 0 483.636 4.044 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)cc1Br ZINC001315486876 1064359142 /nfs/dbraw/zinc/35/91/42/1064359142.db2.gz ZMDHGQCFBGYQSZ-UHFFFAOYSA-N 1 0 476.463 4.498 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC001315496545 1064389422 /nfs/dbraw/zinc/38/94/22/1064389422.db2.gz FMMSLMRDBXBFQH-SQJMNOBHSA-N 1 0 479.673 4.176 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC001315506416 1064423669 /nfs/dbraw/zinc/42/36/69/1064423669.db2.gz DQZGNNLHVZOZHL-JOCHJYFZSA-N 1 0 496.700 4.088 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315510558 1064442822 /nfs/dbraw/zinc/44/28/22/1064442822.db2.gz NHRZBOYIBSJZQA-MOPGFXCFSA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001315520984 1064484796 /nfs/dbraw/zinc/48/47/96/1064484796.db2.gz UJZRBQCFSLCZNZ-UHFFFAOYSA-N 1 0 451.562 4.102 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315521463 1064485728 /nfs/dbraw/zinc/48/57/28/1064485728.db2.gz VJELHJVWSKJSPR-JOCHJYFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1ccc(OC)c(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001315522816 1064492622 /nfs/dbraw/zinc/49/26/22/1064492622.db2.gz KFHDYTZWJLPWBC-UHFFFAOYSA-N 1 0 469.655 4.307 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315528729 1064508800 /nfs/dbraw/zinc/50/88/00/1064508800.db2.gz MHCVFQWSXTYABW-YADHBBJMSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001315531838 1064517555 /nfs/dbraw/zinc/51/75/55/1064517555.db2.gz QWQAQXULIGVDCJ-GMAHTHKFSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001315533060 1064520872 /nfs/dbraw/zinc/52/08/72/1064520872.db2.gz CDAZNZQPKUOXOR-AREMUKBSSA-N 1 0 471.646 4.137 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001315533958 1064522663 /nfs/dbraw/zinc/52/26/63/1064522663.db2.gz ICZLZEVENIVXCI-WXVAWEFUSA-N 1 0 485.673 4.383 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001315541251 1064538496 /nfs/dbraw/zinc/53/84/96/1064538496.db2.gz AGWVBNUNSRJQOH-NDEPHWFRSA-N 1 0 499.700 4.226 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[NH+](C)C)c1 ZINC001315546122 1064552319 /nfs/dbraw/zinc/55/23/19/1064552319.db2.gz FWNPDQLAEBFSIH-AUSIDOKSSA-N 1 0 498.672 4.303 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cc(C)on2)[NH+](C)C)c1 ZINC001315547434 1064556968 /nfs/dbraw/zinc/55/69/68/1064556968.db2.gz AFRPOHFHDGMKSB-TZRRMPRUSA-N 1 0 496.656 4.441 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCN(c4cccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315547503 1064557037 /nfs/dbraw/zinc/55/70/37/1064557037.db2.gz BPCKCNPNYZCIDG-NRFANRHFSA-N 1 0 468.671 4.275 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2cc(C)on2)[NH+](C)C)c1 ZINC001315547790 1064558485 /nfs/dbraw/zinc/55/84/85/1064558485.db2.gz DQMXWHOJFBNHKP-JOCHJYFZSA-N 1 0 466.611 4.175 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(OC)C2)[NH+](C)C)c1 ZINC001315548049 1064559286 /nfs/dbraw/zinc/55/92/86/1064559286.db2.gz FQMVXIMQCUBWEY-JYFHCDHNSA-N 1 0 455.647 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)Cc3cnn(C)c3C)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548160 1064559808 /nfs/dbraw/zinc/55/98/08/1064559808.db2.gz GUTFAYKOFJBCTP-QHCPKHFHSA-N 1 0 465.646 4.100 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CC[C@H](C4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548481 1064560659 /nfs/dbraw/zinc/56/06/59/1064560659.db2.gz JNEFCEBHOYYSSE-JTHBVZDNSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N(C)C[C@H]2CCCOC2)[NH+](C)C)c1 ZINC001315548765 1064561682 /nfs/dbraw/zinc/56/16/82/1064561682.db2.gz MTTXFTXDYYBPNI-QPPBQGQZSA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C)[C@@H](OC)C2)[NH+](C)C)c1 ZINC001315549505 1064564114 /nfs/dbraw/zinc/56/41/14/1064564114.db2.gz RDYHTUWTBIMUFM-IOTHUQQFSA-N 1 0 499.700 4.369 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315553284 1064570354 /nfs/dbraw/zinc/57/03/54/1064570354.db2.gz YCXMWLWMIARJFB-KDURUIRLSA-N 1 0 452.603 4.335 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001315553979 1064571696 /nfs/dbraw/zinc/57/16/96/1064571696.db2.gz NPLYKIQALACRMN-NFBKMPQASA-N 1 0 498.672 4.035 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315556532 1064575561 /nfs/dbraw/zinc/57/55/61/1064575561.db2.gz LSGVJIJJORSFML-HHHXNRCGSA-N 1 0 485.673 4.237 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001315559151 1064583792 /nfs/dbraw/zinc/58/37/92/1064583792.db2.gz GESVLPIVRDZUEC-QFIPXVFZSA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315559810 1064584817 /nfs/dbraw/zinc/58/48/17/1064584817.db2.gz WYTHGTUUMZKROU-IRLDBZIGSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315561438 1064586961 /nfs/dbraw/zinc/58/69/61/1064586961.db2.gz VVSMTMALZHATIJ-QFIPXVFZSA-N 1 0 465.646 4.190 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315562925 1064589983 /nfs/dbraw/zinc/58/99/83/1064589983.db2.gz JIFVMLMCNZQHKO-ICSRJNTNSA-N 1 0 482.595 4.003 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(c4cccs4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315563611 1064591656 /nfs/dbraw/zinc/59/16/56/1064591656.db2.gz OBCAAWRHKRERKL-OAQYLSRUSA-N 1 0 468.671 4.318 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001315564023 1064593005 /nfs/dbraw/zinc/59/30/05/1064593005.db2.gz RXSQASPQOLLDFE-NFBKMPQASA-N 1 0 498.672 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315564619 1064594395 /nfs/dbraw/zinc/59/43/95/1064594395.db2.gz VZAWUZCGEMJMKI-NHCUHLMSSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315564620 1064594650 /nfs/dbraw/zinc/59/46/50/1064594650.db2.gz VZAWUZCGEMJMKI-RTWAWAEBSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315565422 1064596852 /nfs/dbraw/zinc/59/68/52/1064596852.db2.gz DCFOUDAEEYOKDX-ISCCLHIJSA-N 1 0 498.672 4.033 20 0 JIADRO COc1cccc(C2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001315569736 1064609778 /nfs/dbraw/zinc/60/97/78/1064609778.db2.gz KAVBRVJRISYYFO-JOCHJYFZSA-N 1 0 455.647 4.153 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001315572421 1064619856 /nfs/dbraw/zinc/61/98/56/1064619856.db2.gz URHRAWLGHAHEPT-BJKOFHAPSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001315574186 1064627199 /nfs/dbraw/zinc/62/71/99/1064627199.db2.gz XHOLAMDHWQESMU-DHIUTWEWSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1OC ZINC001315580516 1064644537 /nfs/dbraw/zinc/64/45/37/1064644537.db2.gz CEKSTRGEKIYKIJ-UHFFFAOYSA-N 1 0 457.663 4.490 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(CC(C)C)n3CC3([NH+](C)C)CCCC3)C2)c1 ZINC001315581654 1064647821 /nfs/dbraw/zinc/64/78/21/1064647821.db2.gz KFLHVMWHQMULMZ-QHCPKHFHSA-N 1 0 455.647 4.155 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2scnc2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315591754 1064682099 /nfs/dbraw/zinc/68/20/99/1064682099.db2.gz PIJIBKSDEJPNEE-UHFFFAOYSA-N 1 0 484.670 4.244 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315602819 1064713375 /nfs/dbraw/zinc/71/33/75/1064713375.db2.gz QDJBUIHDGROKRW-QFIPXVFZSA-N 1 0 482.673 4.054 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315603226 1064714495 /nfs/dbraw/zinc/71/44/95/1064714495.db2.gz XWNMJGYWNRDTMH-FCHUYYIVSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315605956 1064720862 /nfs/dbraw/zinc/72/08/62/1064720862.db2.gz YWBMKNRCUNDTEA-SFHVURJKSA-N 1 0 451.537 4.464 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315612365 1064733687 /nfs/dbraw/zinc/73/36/87/1064733687.db2.gz HXSDCWCCXBMNSI-BWKNWUBXSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(C)(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001315615552 1064741035 /nfs/dbraw/zinc/74/10/35/1064741035.db2.gz KFDFVVGUFWAMEV-UHFFFAOYSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[NH+]1CCCCCC1 ZINC001315616687 1064744347 /nfs/dbraw/zinc/74/43/47/1064744347.db2.gz XKHQWOSSYCGTOB-UHFFFAOYSA-N 1 0 469.033 4.438 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315617051 1064745661 /nfs/dbraw/zinc/74/56/61/1064745661.db2.gz QGULBCXOLUDYLU-FGZHOGPDSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315617301 1064746793 /nfs/dbraw/zinc/74/67/93/1064746793.db2.gz DLMLXNPLIRMJCK-JTHBVZDNSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315619339 1064751798 /nfs/dbraw/zinc/75/17/98/1064751798.db2.gz RVDJQGJKZYCNHU-RTWAWAEBSA-N 1 0 469.655 4.247 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315622361 1064758845 /nfs/dbraw/zinc/75/88/45/1064758845.db2.gz YMGXJHFEVSZDHO-MUUNZHRXSA-N 1 0 499.700 4.161 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001315624679 1064764666 /nfs/dbraw/zinc/76/46/66/1064764666.db2.gz LEBVLSDNFPCDKG-HXUWFJFHSA-N 1 0 483.579 4.156 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001315625302 1064766833 /nfs/dbraw/zinc/76/68/33/1064766833.db2.gz JRLQRECLYMMBDW-UHFFFAOYSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315627863 1064773600 /nfs/dbraw/zinc/77/36/00/1064773600.db2.gz QFKDYMUVNRDPMI-DEOSSOPVSA-N 1 0 494.688 4.046 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCSC(C)C ZINC001315628899 1064776559 /nfs/dbraw/zinc/77/65/59/1064776559.db2.gz ABIPWKIBJZZZDQ-HXUWFJFHSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[C@@H]1CCCCO1 ZINC001315628934 1064776663 /nfs/dbraw/zinc/77/66/63/1064776663.db2.gz BMGNJDJVKJEKIK-QHCPKHFHSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001315630998 1064781743 /nfs/dbraw/zinc/78/17/43/1064781743.db2.gz GZNBEFIETMLARV-JOCHJYFZSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315631651 1064783187 /nfs/dbraw/zinc/78/31/87/1064783187.db2.gz MOONPVUPVWMWSL-QPPBQGQZSA-N 1 0 467.614 4.025 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315631984 1064784564 /nfs/dbraw/zinc/78/45/64/1064784564.db2.gz OYSYAIADOCBIMG-XJGOYTCSSA-N 1 0 499.700 4.018 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315632442 1064784971 /nfs/dbraw/zinc/78/49/71/1064784971.db2.gz CZOQFYOWEQHUMS-VWNXMTODSA-N 1 0 469.674 4.228 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315632717 1064786334 /nfs/dbraw/zinc/78/63/34/1064786334.db2.gz XOHMDOOPABNYMN-HXUWFJFHSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315634647 1064790221 /nfs/dbraw/zinc/79/02/21/1064790221.db2.gz VXFZRWUIPSMAJF-QFIPXVFZSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315638666 1064797672 /nfs/dbraw/zinc/79/76/72/1064797672.db2.gz CBFKFKZWUFYSJD-NRFANRHFSA-N 1 0 492.668 4.167 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315646171 1064816898 /nfs/dbraw/zinc/81/68/98/1064816898.db2.gz DCNKSBDDVCTANX-RBUKOAKNSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC3CCCC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315646447 1064818054 /nfs/dbraw/zinc/81/80/54/1064818054.db2.gz NGCRKSLKUQIFJZ-UHFFFAOYSA-N 1 0 468.690 4.465 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccoc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315648047 1064822978 /nfs/dbraw/zinc/82/29/78/1064822978.db2.gz RAHFNZZVYYMPEJ-UHFFFAOYSA-N 1 0 453.587 4.217 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001315650457 1064828584 /nfs/dbraw/zinc/82/85/84/1064828584.db2.gz QEZRPCNPPJBVAE-LEWJYISDSA-N 1 0 455.647 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315652389 1064835553 /nfs/dbraw/zinc/83/55/53/1064835553.db2.gz RGZVDMYMMSAKOF-NQIIRXRSSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC(C)(F)F ZINC001315654526 1064841606 /nfs/dbraw/zinc/84/16/06/1064841606.db2.gz QJKXLQVYZHPWLP-UHFFFAOYSA-N 1 0 465.589 4.469 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315654828 1064842953 /nfs/dbraw/zinc/84/29/53/1064842953.db2.gz SJSZMACAQJMOED-WIOPSUGQSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCCCCC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315657881 1064849317 /nfs/dbraw/zinc/84/93/17/1064849317.db2.gz LZOVYZFAJBZJJL-VXKWHMMOSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315658286 1064851888 /nfs/dbraw/zinc/85/18/88/1064851888.db2.gz MEQCYWKGDDGTDX-HKUYNNGSSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001315661239 1064859843 /nfs/dbraw/zinc/85/98/43/1064859843.db2.gz FQBYFHVTYMGLMI-MSOLQXFVSA-N 1 0 459.660 4.065 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H]2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315662986 1064868005 /nfs/dbraw/zinc/86/80/05/1064868005.db2.gz DTKROBMVELUCEY-PWRODBHTSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315665302 1064878309 /nfs/dbraw/zinc/87/83/09/1064878309.db2.gz AGHSNKKZFOIKHY-DFBJGRDBSA-N 1 0 473.687 4.457 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315665881 1064880132 /nfs/dbraw/zinc/88/01/32/1064880132.db2.gz UBTAZECEHQYJMH-RTWAWAEBSA-N 1 0 486.730 4.087 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001315665885 1064880162 /nfs/dbraw/zinc/88/01/62/1064880162.db2.gz UCVATABOOFZEDZ-FQEVSTJZSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSC(C)(C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001315667341 1064886993 /nfs/dbraw/zinc/88/69/93/1064886993.db2.gz DADFYOKOVPKHQH-GOSISDBHSA-N 1 0 461.701 4.251 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)C[NH+](C)C ZINC001315667951 1064889607 /nfs/dbraw/zinc/88/96/07/1064889607.db2.gz RPONYDPFLJEBBG-DEOSSOPVSA-N 1 0 461.676 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001315669285 1064896117 /nfs/dbraw/zinc/89/61/17/1064896117.db2.gz UJNPCIUSKYDZAA-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315669380 1064896146 /nfs/dbraw/zinc/89/61/46/1064896146.db2.gz IZTGZCLEQBPUKZ-HBMCJLEFSA-N 1 0 473.687 4.313 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315696591 1064958344 /nfs/dbraw/zinc/95/83/44/1064958344.db2.gz LXLBGODFOIIGAB-HXUWFJFHSA-N 1 0 462.436 4.055 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001315703789 1064968941 /nfs/dbraw/zinc/96/89/41/1064968941.db2.gz LPIIRMOAENHVPA-FCHUYYIVSA-N 1 0 477.694 4.193 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2)CC1 ZINC001315704461 1064971269 /nfs/dbraw/zinc/97/12/69/1064971269.db2.gz JEBVIWZGRJAFBH-UHFFFAOYSA-N 1 0 468.671 4.160 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001315706073 1064976778 /nfs/dbraw/zinc/97/67/78/1064976778.db2.gz SHACTJJYLSIIMR-JTHBVZDNSA-N 1 0 469.655 4.454 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001315706788 1064979121 /nfs/dbraw/zinc/97/91/21/1064979121.db2.gz XWBUSEUVUKOJIM-UHFFFAOYSA-N 1 0 480.632 4.237 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001315706792 1064979239 /nfs/dbraw/zinc/97/92/39/1064979239.db2.gz XZDDQPUWMRNXBM-HDICACEKSA-N 1 0 493.668 4.367 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001315706975 1064980224 /nfs/dbraw/zinc/98/02/24/1064980224.db2.gz ZNUAWKSOIYETRN-QFIPXVFZSA-N 1 0 499.700 4.367 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001315709882 1064986106 /nfs/dbraw/zinc/98/61/06/1064986106.db2.gz QIIIVORLNQKWBU-VHFRWLAGSA-N 1 0 491.721 4.091 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315711269 1064988116 /nfs/dbraw/zinc/98/81/16/1064988116.db2.gz ANHQXMZWKZXOEZ-SWXWDQRWSA-N 1 0 499.700 4.395 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCSCC2)CC[C@@H]1C ZINC001315713097 1064997808 /nfs/dbraw/zinc/99/78/08/1064997808.db2.gz FAEKHJYPPMXFPI-XUZZJYLKSA-N 1 0 487.714 4.280 20 0 JIADRO CO[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1(C)C ZINC001315723585 1065019913 /nfs/dbraw/zinc/01/99/13/1065019913.db2.gz GEEIQYIIYYDRQS-QFIPXVFZSA-N 1 0 457.663 4.107 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001315728428 1065024757 /nfs/dbraw/zinc/02/47/57/1065024757.db2.gz HCHQKWKRMRRJEU-QPPBQGQZSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1(C)C ZINC001315728928 1065025822 /nfs/dbraw/zinc/02/58/22/1065025822.db2.gz BLANRUOQPYPXNJ-GMAHTHKFSA-N 1 0 467.614 4.231 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[C@@H]1C ZINC001315729658 1065026645 /nfs/dbraw/zinc/02/66/45/1065026645.db2.gz GICNMCGEXPEKRM-ONTNHIFESA-N 1 0 453.675 4.293 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC[C@H]1C ZINC001315730673 1065028390 /nfs/dbraw/zinc/02/83/90/1065028390.db2.gz VAFMBZCHOJWQGL-BWKNWUBXSA-N 1 0 462.642 4.014 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001315736869 1065039950 /nfs/dbraw/zinc/03/99/50/1065039950.db2.gz QFPSKXKKGDCPQT-ZDXQCDESSA-N 1 0 469.674 4.395 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC(C)CC2)CC1(C)C ZINC001315737567 1065041525 /nfs/dbraw/zinc/04/15/25/1065041525.db2.gz UJXIRRZXUNUMDI-QHCPKHFHSA-N 1 0 455.647 4.149 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC[C@H]1C ZINC001315737953 1065042564 /nfs/dbraw/zinc/04/25/64/1065042564.db2.gz WJQXCJLUGYYKCP-YFNKSVMNSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC[C@@H]1C ZINC001315737920 1065042670 /nfs/dbraw/zinc/04/26/70/1065042670.db2.gz WAOZAYCQEPAYLE-SONWIMMPSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001315738216 1065043211 /nfs/dbraw/zinc/04/32/11/1065043211.db2.gz XHYUKFZSVLWMTB-WMTXJRDZSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001315739529 1065047010 /nfs/dbraw/zinc/04/70/10/1065047010.db2.gz BLXPNNCOBNWQPM-QHAWAJNXSA-N 1 0 461.695 4.322 20 0 JIADRO CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315740487 1065048287 /nfs/dbraw/zinc/04/82/87/1065048287.db2.gz YQFBVNDYNFFJAX-WXFUMESZSA-N 1 0 469.674 4.019 20 0 JIADRO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1(C)C ZINC001315742103 1065051085 /nfs/dbraw/zinc/05/10/85/1065051085.db2.gz NBZYKKDIIBGAGG-JTHBVZDNSA-N 1 0 487.714 4.097 20 0 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COCCO[C@@H](C)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316194075 1065887305 /nfs/dbraw/zinc/88/73/05/1065887305.db2.gz YDGJYDDBTZTBKI-UPVQGACJSA-N 1 0 485.673 4.010 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H]2c2ccccc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316194429 1065887661 /nfs/dbraw/zinc/88/76/61/1065887661.db2.gz SATGQPWGXDVNMA-AOHZBQACSA-N 1 0 455.647 4.464 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316196834 1065892446 /nfs/dbraw/zinc/89/24/46/1065892446.db2.gz QVKRJXHEFDKDIP-BDTNDASRSA-N 1 0 490.718 4.271 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC[C@H](SC)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316198450 1065894560 /nfs/dbraw/zinc/89/45/60/1065894560.db2.gz JCVSCNIBIAIADD-HBMCJLEFSA-N 1 0 467.724 4.235 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC(C)(C)c1ccccc1F ZINC001316199705 1065896645 /nfs/dbraw/zinc/89/66/45/1065896645.db2.gz QWFHEBOHAFDSKN-RTWAWAEBSA-N 1 0 473.637 4.184 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(C)cc1SC ZINC001316204846 1065905965 /nfs/dbraw/zinc/90/59/65/1065905965.db2.gz AAZYSZUORHJRFS-HXUWFJFHSA-N 1 0 473.687 4.145 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCc1c(C)cccc1C ZINC001316206773 1065908025 /nfs/dbraw/zinc/90/80/25/1065908025.db2.gz RKFNKLGKYWILKS-NFBKMPQASA-N 1 0 469.674 4.172 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316210593 1065914294 /nfs/dbraw/zinc/91/42/94/1065914294.db2.gz PWSGELRCPXNHFW-TYPXCFOJSA-N 1 0 499.700 4.090 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001316231923 1065958057 /nfs/dbraw/zinc/95/80/57/1065958057.db2.gz AJAPCGPEEDENHC-FPOVZHCZSA-N 1 0 489.730 4.351 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001316231987 1065958597 /nfs/dbraw/zinc/95/85/97/1065958597.db2.gz HHADVTOFPGXYDS-NZQKXSOJSA-N 1 0 476.065 4.495 20 0 JIADRO COCCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001316235533 1065967093 /nfs/dbraw/zinc/96/70/93/1065967093.db2.gz BMYVWCHXZOBLAX-FQEVSTJZSA-N 1 0 476.065 4.351 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](C)C(C)C)C1 ZINC001316238429 1065974543 /nfs/dbraw/zinc/97/45/43/1065974543.db2.gz NKDXXHVUZXIVOI-QGZVFWFLSA-N 1 0 478.062 4.395 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001316239393 1065976256 /nfs/dbraw/zinc/97/62/56/1065976256.db2.gz RKBVLGOKNPCMIK-JOCHJYFZSA-N 1 0 488.032 4.435 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001316240918 1065980557 /nfs/dbraw/zinc/98/05/57/1065980557.db2.gz IEHMKLHHTYCQFQ-WIYYLYMNSA-N 1 0 494.036 4.344 20 0 JIADRO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316251252 1065994116 /nfs/dbraw/zinc/99/41/16/1065994116.db2.gz HBXILRKEGYDWTP-LEWJYISDSA-N 1 0 476.065 4.208 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CCCCC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316273952 1066022471 /nfs/dbraw/zinc/02/24/71/1066022471.db2.gz AWFNLLFYUMQFAD-ONTIZHBOSA-N 1 0 461.676 4.383 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001316298684 1066059380 /nfs/dbraw/zinc/05/93/80/1066059380.db2.gz ZSGPJVDTMSXQQX-FAWUNYRSSA-N 1 0 491.721 4.298 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001316315734 1066072098 /nfs/dbraw/zinc/07/20/98/1066072098.db2.gz WNKMLYUVZJVVTF-QGZVFWFLSA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316322647 1066078038 /nfs/dbraw/zinc/07/80/38/1066078038.db2.gz QLQLRQYZEYKNTN-NYDSKATKSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316323114 1066079583 /nfs/dbraw/zinc/07/95/83/1066079583.db2.gz WWIQFNZCNJTGPW-ACRUOGEOSA-N 1 0 453.587 4.156 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316330153 1066085843 /nfs/dbraw/zinc/08/58/43/1066085843.db2.gz VXNWHZHXJWTIGS-UNMCSNQZSA-N 1 0 467.614 4.410 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316330231 1066086155 /nfs/dbraw/zinc/08/61/55/1066086155.db2.gz WQIFZETWYINKAF-UGKGYDQZSA-N 1 0 462.038 4.248 20 0 JIADRO CSC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001316365440 1066105753 /nfs/dbraw/zinc/10/57/53/1066105753.db2.gz PXCLWJUQRJIOIN-INIZCTEOSA-N 1 0 467.481 4.242 20 0 JIADRO CSC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316369518 1066116180 /nfs/dbraw/zinc/11/61/80/1066116180.db2.gz CGHPQQHDFSBQRJ-HXUWFJFHSA-N 1 0 459.660 4.243 20 0 JIADRO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316377448 1066142506 /nfs/dbraw/zinc/14/25/06/1066142506.db2.gz OFXFLMZGKHZOTJ-APWZRJJASA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316380274 1066147967 /nfs/dbraw/zinc/14/79/67/1066147967.db2.gz FNUGBQJHZHVXAW-IBGZPJMESA-N 1 0 454.619 4.251 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001316379870 1066147996 /nfs/dbraw/zinc/14/79/96/1066147996.db2.gz WCNFNMAPXRAAFZ-GOSISDBHSA-N 1 0 464.079 4.431 20 0 JIADRO CS[C@@H](Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC001316392097 1066165876 /nfs/dbraw/zinc/16/58/76/1066165876.db2.gz NLRCIWGNOGPDIY-VXKWHMMOSA-N 1 0 457.688 4.179 20 0 JIADRO CSC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001316400345 1066177664 /nfs/dbraw/zinc/17/76/64/1066177664.db2.gz CRFNTSFSDHJRGE-FQEVSTJZSA-N 1 0 491.677 4.247 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC(C)(C)C2)CC[NH+](C)CC1 ZINC001316403043 1066182845 /nfs/dbraw/zinc/18/28/45/1066182845.db2.gz HELWQYHGHPIJEF-UHFFFAOYSA-N 1 0 467.108 4.153 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316403848 1066184943 /nfs/dbraw/zinc/18/49/43/1066184943.db2.gz ATSZWWZXCBZQCL-KRWDZBQOSA-N 1 0 464.079 4.430 20 0 JIADRO CSC1(Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2Cl)CC[NH+](C)CC1 ZINC001316405019 1066187130 /nfs/dbraw/zinc/18/71/30/1066187130.db2.gz VKXXUZRMLXWSAH-UHFFFAOYSA-N 1 0 457.047 4.457 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316406899 1066189872 /nfs/dbraw/zinc/18/98/72/1066189872.db2.gz IEILLMNYKYSKRM-ROUUACIJSA-N 1 0 463.692 4.166 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC[NH+](C)CC1 ZINC001316408401 1066192884 /nfs/dbraw/zinc/19/28/84/1066192884.db2.gz XYYOSBGQFCRQHK-SFHVURJKSA-N 1 0 467.605 4.317 20 0 JIADRO CSC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC[NH+](C)CC1 ZINC001316409028 1066194001 /nfs/dbraw/zinc/19/40/01/1066194001.db2.gz SZEFZIVJLJZRAL-NRFANRHFSA-N 1 0 494.709 4.254 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N(C)CCC2CCOCC2)CC[NH+](C)CC1 ZINC001316410223 1066197924 /nfs/dbraw/zinc/19/79/24/1066197924.db2.gz UWBBRKJAMIJMLA-UHFFFAOYSA-N 1 0 487.714 4.246 20 0 JIADRO CSc1cc(Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)ccn1 ZINC001316413207 1066204507 /nfs/dbraw/zinc/20/45/07/1066204507.db2.gz GNRADKCVWWADFF-UHFFFAOYSA-N 1 0 453.660 4.007 20 0 JIADRO CSc1cc(Cn2c(CCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC001316416016 1066213734 /nfs/dbraw/zinc/21/37/34/1066213734.db2.gz GCLKVZSBHRIRNO-UHFFFAOYSA-N 1 0 450.656 4.149 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492498752 1066224531 /nfs/dbraw/zinc/22/45/31/1066224531.db2.gz QXGOJCHRCXQWQL-QFIPXVFZSA-N 1 0 454.022 4.454 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[NH+]1CCCC1 ZINC001324830738 1066229960 /nfs/dbraw/zinc/22/99/60/1066229960.db2.gz KZCNCVNOHSCOES-XMMPIXPASA-N 1 0 470.577 4.065 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316424485 1066239727 /nfs/dbraw/zinc/23/97/27/1066239727.db2.gz ARAJQSILQZLOKH-HSALFYBXSA-N 1 0 451.725 4.476 20 0 JIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC001325215429 1066239616 /nfs/dbraw/zinc/23/96/16/1066239616.db2.gz NONLPSUPELNTMJ-REWPJTCUSA-N 1 0 498.583 4.443 20 0 JIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC001325215427 1066239683 /nfs/dbraw/zinc/23/96/83/1066239683.db2.gz NONLPSUPELNTMJ-NZQKXSOJSA-N 1 0 498.583 4.443 20 0 JIADRO Cc1ccc2[nH]c(C(=O)OCC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)c(Cl)c2c1 ZINC001325214840 1066239860 /nfs/dbraw/zinc/23/98/60/1066239860.db2.gz KRTAHMOLKQJNOS-UHFFFAOYSA-N 1 0 453.970 4.376 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316427727 1066252721 /nfs/dbraw/zinc/25/27/21/1066252721.db2.gz UZFBFVSOTQDJBR-MDNUFGMLSA-N 1 0 457.688 4.415 20 0 JIADRO Cc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC001492499636 1066258798 /nfs/dbraw/zinc/25/87/98/1066258798.db2.gz UCLXAPULLCYUCI-HXUWFJFHSA-N 1 0 454.644 4.012 20 0 JIADRO CSCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC001316429769 1066262517 /nfs/dbraw/zinc/26/25/17/1066262517.db2.gz DZXOXVHRXXPDIZ-XMMPIXPASA-N 1 0 498.741 4.276 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001316430928 1066267266 /nfs/dbraw/zinc/26/72/66/1066267266.db2.gz QIDFMAZWOVPBOQ-NJDAHSKKSA-N 1 0 479.735 4.029 20 0 JIADRO O=C(CC[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)NC(c1ccccc1)c1ccccc1 ZINC001325981211 1066277812 /nfs/dbraw/zinc/27/78/12/1066277812.db2.gz GBVLOSBQGMQOMY-UHFFFAOYSA-N 1 0 481.596 4.291 20 0 JIADRO Cc1cc(C(=O)OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc2ccccc12 ZINC001326025103 1066280529 /nfs/dbraw/zinc/28/05/29/1066280529.db2.gz KVCBAQYQUFSJSX-QHCPKHFHSA-N 1 0 451.954 4.307 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccccc3CN3CCc4ccccc43)c2)CC1 ZINC001326128204 1066286127 /nfs/dbraw/zinc/28/61/27/1066286127.db2.gz FLENJTOFQLQPRI-UHFFFAOYSA-N 1 0 469.633 4.318 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492500605 1066288312 /nfs/dbraw/zinc/28/83/12/1066288312.db2.gz KQSVLBKBNNLKJW-GOSISDBHSA-N 1 0 471.053 4.184 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492501229 1066292897 /nfs/dbraw/zinc/29/28/97/1066292897.db2.gz HCCPGTKICKVCCB-LUWBXXKHSA-N 1 0 494.709 4.154 20 0 JIADRO CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001326381537 1066294863 /nfs/dbraw/zinc/29/48/63/1066294863.db2.gz AYYVQCAPXUTHRH-UHFFFAOYSA-N 1 0 463.651 4.156 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CC=CCC1 ZINC001316441891 1066303135 /nfs/dbraw/zinc/30/31/35/1066303135.db2.gz LWAXBNGKHOZNJQ-IBGZPJMESA-N 1 0 492.487 4.213 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316442670 1066305142 /nfs/dbraw/zinc/30/51/42/1066305142.db2.gz SZGMZWYALOBVAR-JOCHJYFZSA-N 1 0 487.714 4.041 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316445042 1066313424 /nfs/dbraw/zinc/31/34/24/1066313424.db2.gz DGVIZNIQJDHQJD-UXHICEINSA-N 1 0 468.671 4.039 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492503683 1066316386 /nfs/dbraw/zinc/31/63/86/1066316386.db2.gz RFSVJVGVHQIZPV-DEOSSOPVSA-N 1 0 499.059 4.174 20 0 JIADRO O[C@H](C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)COc1ccc(Br)cc1 ZINC001327997408 1066321081 /nfs/dbraw/zinc/32/10/81/1066321081.db2.gz RSCOVNXMLKPHOX-KNQAVFIVSA-N 1 0 456.384 4.101 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001316449057 1066325355 /nfs/dbraw/zinc/32/53/55/1066325355.db2.gz XTNPTMKRYRXIQS-MOPGFXCFSA-N 1 0 459.660 4.374 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)Nc4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492506646 1066327502 /nfs/dbraw/zinc/32/75/02/1066327502.db2.gz QPQVQUYWVGQHNS-UHFFFAOYSA-N 1 0 475.641 4.091 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)n1 ZINC001492506712 1066328528 /nfs/dbraw/zinc/32/85/28/1066328528.db2.gz MFWHURQEIQTMQZ-NFBKMPQASA-N 1 0 497.688 4.264 20 0 JIADRO C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001328636460 1066328743 /nfs/dbraw/zinc/32/87/43/1066328743.db2.gz YLVBLTSNZWLRPQ-GCJKJVERSA-N 1 0 459.546 4.155 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492509098 1066336191 /nfs/dbraw/zinc/33/61/91/1066336191.db2.gz HGJRLWJDAJLEMQ-OYRHEFFESA-N 1 0 495.716 4.100 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCC[NH+]2CCC(C)CC2)n1 ZINC001492510070 1066339466 /nfs/dbraw/zinc/33/94/66/1066339466.db2.gz GQVDHEDWPMOZFJ-UHFFFAOYSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492510376 1066341062 /nfs/dbraw/zinc/34/10/62/1066341062.db2.gz PJULZBNJVNEBPL-GGAORHGYSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCOc2ccc(F)cc2)n1 ZINC001492510734 1066342356 /nfs/dbraw/zinc/34/23/56/1066342356.db2.gz AYCGKRCUEWFVLY-UHFFFAOYSA-N 1 0 452.578 4.224 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001492510957 1066342533 /nfs/dbraw/zinc/34/25/33/1066342533.db2.gz IGNRLVIAQINXIQ-UHFFFAOYSA-N 1 0 492.668 4.421 20 0 JIADRO CSCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316458634 1066350279 /nfs/dbraw/zinc/35/02/79/1066350279.db2.gz GAFLSONQSYABHJ-IBGZPJMESA-N 1 0 477.650 4.001 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316460204 1066354422 /nfs/dbraw/zinc/35/44/22/1066354422.db2.gz VANGTJRPTZJOTG-NRFANRHFSA-N 1 0 485.702 4.161 20 0 JIADRO CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001316460881 1066355790 /nfs/dbraw/zinc/35/57/90/1066355790.db2.gz GNMMOWDTRAHMTK-FQEVSTJZSA-N 1 0 459.708 4.303 20 0 JIADRO CSCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001316462787 1066360304 /nfs/dbraw/zinc/36/03/04/1066360304.db2.gz ORHNIFLUCNFJKX-UHFFFAOYSA-N 1 0 474.078 4.188 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccccc2OC(F)F)n1 ZINC001492516907 1066366270 /nfs/dbraw/zinc/36/62/70/1066366270.db2.gz AJGMWKIKXBFNQO-UHFFFAOYSA-N 1 0 456.541 4.219 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001316465719 1066367103 /nfs/dbraw/zinc/36/71/03/1066367103.db2.gz LXTQRRQYBXRHGS-FQEVSTJZSA-N 1 0 452.068 4.145 20 0 JIADRO CSCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316466167 1066368254 /nfs/dbraw/zinc/36/82/54/1066368254.db2.gz LIHIRUJUGMQTQA-QFIPXVFZSA-N 1 0 487.714 4.307 20 0 JIADRO C[NH+]1CCN(Cc2ccc(-c3nc([C@H](NC(=O)OC(C)(C)C)c4ccccc4)no3)cc2)CC1 ZINC001332044387 1066370189 /nfs/dbraw/zinc/37/01/89/1066370189.db2.gz LMAJKKYEXNVMOA-JOCHJYFZSA-N 1 0 463.582 4.098 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H]1C ZINC001316469707 1066375139 /nfs/dbraw/zinc/37/51/39/1066375139.db2.gz KGNHFHRUYYNDDR-MOPGFXCFSA-N 1 0 466.696 4.024 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316470701 1066377222 /nfs/dbraw/zinc/37/72/22/1066377222.db2.gz NJPWMZIIVFCXLK-GOTSBHOMSA-N 1 0 457.688 4.274 20 0 JIADRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001332542658 1066378299 /nfs/dbraw/zinc/37/82/99/1066378299.db2.gz AHBKMTNYPBLBIC-KKSFZXQISA-N 1 0 479.802 4.290 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316471805 1066379263 /nfs/dbraw/zinc/37/92/63/1066379263.db2.gz UQYROKPQMNZOEF-NRFANRHFSA-N 1 0 459.660 4.244 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(F)c(Cl)c2)n1 ZINC001492519373 1066382376 /nfs/dbraw/zinc/38/23/76/1066382376.db2.gz LBCVGSIBJVOEKI-UHFFFAOYSA-N 1 0 472.996 4.036 20 0 JIADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492523195 1066394407 /nfs/dbraw/zinc/39/44/07/1066394407.db2.gz LSFHHIIQRNXQSX-ZEQRLZLVSA-N 1 0 487.714 4.339 20 0 JIADRO Cc1cccc(CCCn2c(N3CC[NH+](CCc4cccs4)CC3)nnc2C(C)(C)C)n1 ZINC001492527459 1066422609 /nfs/dbraw/zinc/42/26/09/1066422609.db2.gz IPAVAYCNWSHOID-UHFFFAOYSA-N 1 0 452.672 4.338 20 0 JIADRO C[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1C(F)(F)F ZINC001316491390 1066427527 /nfs/dbraw/zinc/42/75/27/1066427527.db2.gz LUEJQMJSQZUICH-OXQOHEQNSA-N 1 0 451.537 4.169 20 0 JIADRO O=S(=O)([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001475544006 1066433595 /nfs/dbraw/zinc/43/35/95/1066433595.db2.gz GLVNBJUEBGHVIC-BAGYTPMASA-N 1 0 470.532 4.398 20 0 JIADRO Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)n1 ZINC001492530794 1066448101 /nfs/dbraw/zinc/44/81/01/1066448101.db2.gz JKHLULUSLIBVJA-UHFFFAOYSA-N 1 0 452.672 4.239 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001316500758 1066460808 /nfs/dbraw/zinc/46/08/08/1066460808.db2.gz NCWJRUUMMVBNJU-KDURUIRLSA-N 1 0 495.062 4.276 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C[NH+](C)C ZINC001316505552 1066479500 /nfs/dbraw/zinc/47/95/00/1066479500.db2.gz SMQYXGRYMCLDTH-HNNXBMFYSA-N 1 0 482.442 4.438 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001316505730 1066480136 /nfs/dbraw/zinc/48/01/36/1066480136.db2.gz WOMRIVYTLHKTQQ-XUZZJYLKSA-N 1 0 483.701 4.483 20 0 JIADRO FC(F)(F)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316512429 1066499824 /nfs/dbraw/zinc/49/98/24/1066499824.db2.gz JFFOJYOAEBUYED-UHFFFAOYSA-N 1 0 485.982 4.413 20 0 JIADRO FC(F)COCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316517803 1066519089 /nfs/dbraw/zinc/51/90/89/1066519089.db2.gz ABOCBFDMIYUKNM-FQEVSTJZSA-N 1 0 462.589 4.104 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001337930405 1066520443 /nfs/dbraw/zinc/52/04/43/1066520443.db2.gz YBCWOYPUUDXZPR-UHFFFAOYSA-N 1 0 481.316 4.256 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001316521440 1066527635 /nfs/dbraw/zinc/52/76/35/1066527635.db2.gz HDXIBHIQDKUTOA-GOSISDBHSA-N 1 0 475.918 4.381 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)[NH+]2CCCCC2)cc1 ZINC001338312475 1066546781 /nfs/dbraw/zinc/54/67/81/1066546781.db2.gz YLGNISHOOYFUMY-HSZRJFAPSA-N 1 0 488.613 4.389 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)CC1 ZINC001338461364 1066557725 /nfs/dbraw/zinc/55/77/25/1066557725.db2.gz SSDKBQORTCRMSG-ROUUACIJSA-N 1 0 480.497 4.143 20 0 JIADRO C[C@@H]1CCc2nc(NC(=O)NCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)sc2C1 ZINC001338478377 1066558502 /nfs/dbraw/zinc/55/85/02/1066558502.db2.gz RQWKGZDRKRTZEA-QGZVFWFLSA-N 1 0 458.628 4.079 20 0 JIADRO CCOc1ccc([C@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C(C)C)cc1OCC ZINC001338574719 1066564687 /nfs/dbraw/zinc/56/46/87/1066564687.db2.gz LUBRVADFQNAEQS-AREMUKBSSA-N 1 0 468.642 4.432 20 0 JIADRO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cnn1-c1cccc(Br)c1 ZINC001338686990 1066566606 /nfs/dbraw/zinc/56/66/06/1066566606.db2.gz WCGJKIILRFSRCN-UHFFFAOYSA-N 1 0 468.399 4.256 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001338708568 1066567752 /nfs/dbraw/zinc/56/77/52/1066567752.db2.gz FCMIJRJCISJVMQ-SFHVURJKSA-N 1 0 473.415 4.233 20 0 JIADRO O=C(NCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCCC(F)(F)F)c1cccs1 ZINC001316563199 1066581273 /nfs/dbraw/zinc/58/12/73/1066581273.db2.gz FTSQHWRSNKEDIK-UHFFFAOYSA-N 1 0 498.619 4.314 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)c1 ZINC001492536416 1066588031 /nfs/dbraw/zinc/58/80/31/1066588031.db2.gz XMLSOVHGPSPQIJ-RUZDIDTESA-N 1 0 495.716 4.316 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001492536627 1066588457 /nfs/dbraw/zinc/58/84/57/1066588457.db2.gz CPYKRGHIDWGGON-JOCHJYFZSA-N 1 0 468.690 4.224 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)c1 ZINC001492536577 1066588712 /nfs/dbraw/zinc/58/87/12/1066588712.db2.gz BOIRUTMNLFMIND-UHFFFAOYSA-N 1 0 468.690 4.103 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001492536628 1066588730 /nfs/dbraw/zinc/58/87/30/1066588730.db2.gz CPYKRGHIDWGGON-QFIPXVFZSA-N 1 0 468.690 4.224 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCOc1ccc2c(c1)CCC(=O)N2 ZINC001341770761 1066589091 /nfs/dbraw/zinc/58/90/91/1066589091.db2.gz JRWRCSPWWCDCAV-LJQANCHMSA-N 1 0 452.551 4.060 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001341818212 1066589901 /nfs/dbraw/zinc/58/99/01/1066589901.db2.gz RWBOLFSRXLXMBY-NZQKXSOJSA-N 1 0 458.986 4.101 20 0 JIADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001479014088 1066590351 /nfs/dbraw/zinc/59/03/51/1066590351.db2.gz YLKOCPLAZWPUMW-UHFFFAOYSA-N 1 0 450.327 4.068 20 0 JIADRO COc1cc(-c2cc(C(=O)OC[C@H]3C[N@H+](CC(C)C)CCO3)c3ccccc3n2)cc(OC)c1OC ZINC001341905218 1066591274 /nfs/dbraw/zinc/59/12/74/1066591274.db2.gz YTQAEURMPKXIIL-HXUWFJFHSA-N 1 0 494.588 4.441 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492537625 1066593888 /nfs/dbraw/zinc/59/38/88/1066593888.db2.gz DGUBDRRBOUKLDB-QHCPKHFHSA-N 1 0 472.684 4.004 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492537624 1066594375 /nfs/dbraw/zinc/59/43/75/1066594375.db2.gz DGUBDRRBOUKLDB-HSZRJFAPSA-N 1 0 472.684 4.004 20 0 JIADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)cnn1C ZINC001492537797 1066594881 /nfs/dbraw/zinc/59/48/81/1066594881.db2.gz JZRRYWNLULFZMR-QFIPXVFZSA-N 1 0 479.654 4.208 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)o1)CN(Cc1ccccc1)CC2 ZINC001317689452 1066630496 /nfs/dbraw/zinc/63/04/96/1066630496.db2.gz KKIQSSNTIXCOEC-AWEZNQCLSA-N 1 0 486.619 4.294 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001492540934 1066641933 /nfs/dbraw/zinc/64/19/33/1066641933.db2.gz CABUKPNDSGOEPR-QHCPKHFHSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492541801 1066650701 /nfs/dbraw/zinc/65/07/01/1066650701.db2.gz PIHSLTOYMACUFR-QHCPKHFHSA-N 1 0 469.674 4.273 20 0 JIADRO Cc1cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)ccc1N1CC[NH+](C)CC1 ZINC001317728837 1066650788 /nfs/dbraw/zinc/65/07/88/1066650788.db2.gz MTTAAOYCLBJEOM-AREMUKBSSA-N 1 0 455.558 4.453 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@](C)(O)CCC(C)C)c1 ZINC001492542378 1066656611 /nfs/dbraw/zinc/65/66/11/1066656611.db2.gz NAHBHMZWEQYWDY-AOJNWGRGSA-N 1 0 455.647 4.026 20 0 JIADRO Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1N1CC[NH+](C)CC1 ZINC001317738182 1066658485 /nfs/dbraw/zinc/65/84/85/1066658485.db2.gz AVBQHKPUIZRVDU-UHFFFAOYSA-N 1 0 466.589 4.306 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cccc(Br)n2)c1 ZINC001492543181 1066663932 /nfs/dbraw/zinc/66/39/32/1066663932.db2.gz CMEJKVCIESZMGM-UHFFFAOYSA-N 1 0 499.457 4.338 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492544328 1066680566 /nfs/dbraw/zinc/68/05/66/1066680566.db2.gz LYAPGDUPUROCHA-OAQYLSRUSA-N 1 0 455.647 4.434 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492544438 1066681816 /nfs/dbraw/zinc/68/18/16/1066681816.db2.gz OSXOOEMUPLFYCY-SANMLTNESA-N 1 0 487.714 4.387 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)CC1 ZINC001347697201 1066686052 /nfs/dbraw/zinc/68/60/52/1066686052.db2.gz DJXITQQSZSWNJT-MAODHWIISA-N 1 0 456.631 4.097 20 0 JIADRO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317815705 1066704913 /nfs/dbraw/zinc/70/49/13/1066704913.db2.gz PNJUQIVNDAOHQH-UHFFFAOYSA-N 1 0 469.541 4.340 20 0 JIADRO O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317815472 1066704968 /nfs/dbraw/zinc/70/49/68/1066704968.db2.gz NFGYMNBIDCWVPD-UHFFFAOYSA-N 1 0 467.566 4.404 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001317820573 1066708189 /nfs/dbraw/zinc/70/81/89/1066708189.db2.gz BLELJBYATREKAW-UHFFFAOYSA-N 1 0 494.455 4.328 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001348048299 1066716044 /nfs/dbraw/zinc/71/60/44/1066716044.db2.gz NXBLGZFHQXPGSE-UHFFFAOYSA-N 1 0 450.583 4.250 20 0 JIADRO Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317831264 1066716887 /nfs/dbraw/zinc/71/68/87/1066716887.db2.gz ZKSZJWJVIHPFNY-HSZRJFAPSA-N 1 0 474.024 4.498 20 0 JIADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CC1 ZINC001317842955 1066725188 /nfs/dbraw/zinc/72/51/88/1066725188.db2.gz WFYKKPLCHGCRDM-UHFFFAOYSA-N 1 0 460.566 4.391 20 0 JIADRO CCn1c(SCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)nnc1-c1ccccc1C ZINC001317852379 1066733457 /nfs/dbraw/zinc/73/34/57/1066733457.db2.gz LVCGQMUVNCRVPW-UHFFFAOYSA-N 1 0 463.651 4.408 20 0 JIADRO COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cn2)c1 ZINC001317871278 1066745798 /nfs/dbraw/zinc/74/57/98/1066745798.db2.gz JOEUSAAXGBPUMN-UHFFFAOYSA-N 1 0 461.566 4.264 20 0 JIADRO CCOc1ccc(-n2c(=S)n(CN3CC[NH+](C(C)(C)C)CC3)nc2-c2cccnc2)cc1 ZINC001317894687 1066765011 /nfs/dbraw/zinc/76/50/11/1066765011.db2.gz FSVJHTFPAFFPGP-UHFFFAOYSA-N 1 0 452.628 4.238 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)[NH+]1CCCCC1 ZINC001317903706 1066773006 /nfs/dbraw/zinc/77/30/06/1066773006.db2.gz OHESNWRBMGBWIL-QHCPKHFHSA-N 1 0 450.583 4.070 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001349393200 1066837039 /nfs/dbraw/zinc/83/70/39/1066837039.db2.gz YOORBQTULKBRGB-QGZVFWFLSA-N 1 0 453.974 4.023 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001349393183 1066837089 /nfs/dbraw/zinc/83/70/89/1066837089.db2.gz YGMXXYKQAPNRCM-UHFFFAOYSA-N 1 0 452.559 4.372 20 0 JIADRO CCOC(=O)Cc1csc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)n1 ZINC001349434991 1066840949 /nfs/dbraw/zinc/84/09/49/1066840949.db2.gz SRPJKDJWPNYRAR-ATIYNZHBSA-N 1 0 463.603 4.277 20 0 JIADRO COCCc1nnc(-c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)c2)o1 ZINC001349560541 1066853827 /nfs/dbraw/zinc/85/38/27/1066853827.db2.gz DYXLTYMYQXYIIH-FQEVSTJZSA-N 1 0 454.596 4.190 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 ZINC001318059372 1066876523 /nfs/dbraw/zinc/87/65/23/1066876523.db2.gz VOFNVAZYDMDMKY-OAQYLSRUSA-N 1 0 462.594 4.077 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)cc1 ZINC001349753106 1066880593 /nfs/dbraw/zinc/88/05/93/1066880593.db2.gz ALCKGPLRMVPOKL-UHFFFAOYSA-N 1 0 450.608 4.366 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)c2ccc(Br)s2)cc1 ZINC001349755270 1066881314 /nfs/dbraw/zinc/88/13/14/1066881314.db2.gz QGCIHIYHGOOPIC-CQSZACIVSA-N 1 0 452.418 4.324 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)(C(F)(F)F)C1 ZINC001349792219 1066883549 /nfs/dbraw/zinc/88/35/49/1066883549.db2.gz DWNGYFGDVFCUPH-HRAATJIYSA-N 1 0 459.509 4.112 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnc(Br)c(Cl)c1 ZINC001349909744 1066895073 /nfs/dbraw/zinc/89/50/73/1066895073.db2.gz CMDZWCCCWUNFPX-UHFFFAOYSA-N 1 0 450.768 4.441 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4ccc(NC(=O)C(F)(F)F)cc4C3)c(C)c2)CC1 ZINC001349911751 1066895530 /nfs/dbraw/zinc/89/55/30/1066895530.db2.gz IBJKWJPMYJWURN-UHFFFAOYSA-N 1 0 475.515 4.185 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(Br)cnc2N(C)C)c2cccs2)CC1 ZINC001350074163 1066913269 /nfs/dbraw/zinc/91/32/69/1066913269.db2.gz ZANFWDIYBKQCIC-QGZVFWFLSA-N 1 0 451.434 4.175 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001492547124 1066914551 /nfs/dbraw/zinc/91/45/51/1066914551.db2.gz OSWQQAXSZVMWBZ-AREMUKBSSA-N 1 0 455.647 4.027 20 0 JIADRO COc1ccc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1-c1ccccc1 ZINC001318133300 1066915854 /nfs/dbraw/zinc/91/58/54/1066915854.db2.gz YQYYGWAXAOIORY-UHFFFAOYSA-N 1 0 457.574 4.354 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(Br)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC001350102724 1066917883 /nfs/dbraw/zinc/91/78/83/1066917883.db2.gz MHMSAWGNLKRJLP-SFHVURJKSA-N 1 0 452.780 4.463 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)c2)n1 ZINC001318164753 1066933033 /nfs/dbraw/zinc/93/30/33/1066933033.db2.gz ZYIDBPANUBMVOD-UHFFFAOYSA-N 1 0 475.593 4.221 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001350337634 1066945046 /nfs/dbraw/zinc/94/50/46/1066945046.db2.gz SPAODRUYWVIAJG-MLPAPPSSSA-N 1 0 450.564 4.361 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)CC2)cc1 ZINC001318189843 1066948871 /nfs/dbraw/zinc/94/88/71/1066948871.db2.gz YVYPGSMMAFQLFD-UHFFFAOYSA-N 1 0 486.620 4.129 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 ZINC001350370509 1066949204 /nfs/dbraw/zinc/94/92/04/1066949204.db2.gz XLHLZGRUDMMERI-DHIUTWEWSA-N 1 0 455.599 4.460 20 0 JIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1OC ZINC001318195348 1066952146 /nfs/dbraw/zinc/95/21/46/1066952146.db2.gz SWVKRQMOEAJNMN-SANMLTNESA-N 1 0 494.636 4.073 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198312 1066953657 /nfs/dbraw/zinc/95/36/57/1066953657.db2.gz CHXLUXNPCCCSLU-XXBNENTESA-N 1 0 452.599 4.346 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)c1 ZINC001350500768 1066965480 /nfs/dbraw/zinc/96/54/80/1066965480.db2.gz HPVPWKWMXCBYRJ-UHFFFAOYSA-N 1 0 457.644 4.128 20 0 JIADRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC001318221452 1066968451 /nfs/dbraw/zinc/96/84/51/1066968451.db2.gz MOWBRSNTWMOITO-UHFFFAOYSA-O 1 0 456.632 4.451 20 0 JIADRO Cc1c(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cccc1OCC(F)(F)F ZINC001318225545 1066970107 /nfs/dbraw/zinc/97/01/07/1066970107.db2.gz FLZQMFFETZOBAF-UHFFFAOYSA-N 1 0 450.505 4.005 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249092 1066982891 /nfs/dbraw/zinc/98/28/91/1066982891.db2.gz YJSDHGAGUSAEJF-DHIUTWEWSA-N 1 0 460.647 4.410 20 0 JIADRO C[N@H+](CCOc1cccc(CNC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)c1)C1CCOCC1 ZINC001318248718 1066983126 /nfs/dbraw/zinc/98/31/26/1066983126.db2.gz SSXIKJLWWRIMHD-UHFFFAOYSA-N 1 0 491.510 4.486 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C[C@H]3CCCO3)C(F)(F)F)c(C(F)(F)F)c2)CC1 ZINC001350690599 1066989009 /nfs/dbraw/zinc/98/90/09/1066989009.db2.gz GXHRQIMULMKMAV-GDBMZVCRSA-N 1 0 453.427 4.143 20 0 JIADRO CCOCCOC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)CC1 ZINC001350702223 1066990365 /nfs/dbraw/zinc/99/03/65/1066990365.db2.gz YKULLGUZWHCKDB-RRPNLBNLSA-N 1 0 450.623 4.255 20 0 JIADRO Cc1cc(COc2ccc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc2Br)no1 ZINC001318263373 1066990485 /nfs/dbraw/zinc/99/04/85/1066990485.db2.gz YFBBOZYOUAEHNF-UHFFFAOYSA-N 1 0 499.409 4.006 20 0 JIADRO CC(C)c1c(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC001318281566 1067000641 /nfs/dbraw/zinc/00/06/41/1067000641.db2.gz GQJJVZXYQCCLCV-UHFFFAOYSA-N 1 0 452.002 4.331 20 0 JIADRO O=C(NCc1cc(Br)cs1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001350798652 1067003136 /nfs/dbraw/zinc/00/31/36/1067003136.db2.gz GCTDEJXNHIGGLM-LEWJYISDSA-N 1 0 456.409 4.438 20 0 JIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318293937 1067005614 /nfs/dbraw/zinc/00/56/14/1067005614.db2.gz XFJVMLWWZSOMBU-UHFFFAOYSA-N 1 0 459.432 4.321 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC001318305924 1067009460 /nfs/dbraw/zinc/00/94/60/1067009460.db2.gz JQEUXYBFDPDWQE-RUZDIDTESA-N 1 0 467.617 4.391 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001318307166 1067009901 /nfs/dbraw/zinc/00/99/01/1067009901.db2.gz VCTSLNNLOFQZDG-UHFFFAOYSA-N 1 0 452.599 4.175 20 0 JIADRO C[C@H](NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311200 1067011505 /nfs/dbraw/zinc/01/15/05/1067011505.db2.gz NCNCTINXFJOYMC-CPJSRVTESA-N 1 0 490.627 4.260 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCCCCOc3ccccc3)CC2)c1C ZINC001318316159 1067013847 /nfs/dbraw/zinc/01/38/47/1067013847.db2.gz IJXVOTJDQYMQOO-UHFFFAOYSA-N 1 0 454.615 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001300683724 1067021661 /nfs/dbraw/zinc/02/16/61/1067021661.db2.gz NFHNURDYGCRHOS-QFIPXVFZSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001300684324 1067023386 /nfs/dbraw/zinc/02/33/86/1067023386.db2.gz SOQOREVOXBYJIB-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc(Br)c1OC(F)F ZINC001318340334 1067023938 /nfs/dbraw/zinc/02/39/38/1067023938.db2.gz MHLLGPCHLTURMU-MRXNPFEDSA-N 1 0 469.326 4.454 20 0 JIADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC001350956502 1067024622 /nfs/dbraw/zinc/02/46/22/1067024622.db2.gz ZOESFVBIZZCHQT-FQEVSTJZSA-N 1 0 456.384 4.177 20 0 JIADRO C[NH+]1CCC(N(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2ccccc2)CC1 ZINC001354663192 1067027730 /nfs/dbraw/zinc/02/77/30/1067027730.db2.gz ZPANVJFUKBLLDP-UHFFFAOYSA-N 1 0 459.413 4.496 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355326 1067029923 /nfs/dbraw/zinc/02/99/23/1067029923.db2.gz UYHWAULQIVDIID-WMZHIEFXSA-N 1 0 464.610 4.348 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300687964 1067031236 /nfs/dbraw/zinc/03/12/36/1067031236.db2.gz RXDLTGBNVCXVLN-RLLQIKCJSA-N 1 0 487.695 4.151 20 0 JIADRO CN(C(=O)Nc1nnc(SCc2ccccc2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318362213 1067031774 /nfs/dbraw/zinc/03/17/74/1067031774.db2.gz VCNOVOIUWOCRHM-UHFFFAOYSA-N 1 0 468.652 4.396 20 0 JIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3OC(F)F)cc2)C[C@H](C)O1 ZINC001318367256 1067033180 /nfs/dbraw/zinc/03/31/80/1067033180.db2.gz KLBZTAHBVXGGRG-GJZGRUSLSA-N 1 0 470.463 4.429 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492548637 1067041108 /nfs/dbraw/zinc/04/11/08/1067041108.db2.gz HCTBHFDIEVSSFM-ZEQRLZLVSA-N 1 0 487.714 4.100 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cc(Br)ccc3Br)c2)CC1 ZINC001318457388 1067044259 /nfs/dbraw/zinc/04/42/59/1067044259.db2.gz GVZCHFHXNVUPFD-UHFFFAOYSA-N 1 0 496.247 4.281 20 0 JIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c21 ZINC001318493970 1067048623 /nfs/dbraw/zinc/04/86/23/1067048623.db2.gz IAGISUONSSYTJN-UHFFFAOYSA-N 1 0 459.550 4.288 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC001318509286 1067050352 /nfs/dbraw/zinc/05/03/52/1067050352.db2.gz JIIBJNIKZVAERL-HOTGVXAUSA-N 1 0 466.470 4.147 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300697379 1067055651 /nfs/dbraw/zinc/05/56/51/1067055651.db2.gz RCDQSOSTCMLGGO-OAQYLSRUSA-N 1 0 454.663 4.411 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)CC1 ZINC001318620240 1067056736 /nfs/dbraw/zinc/05/67/36/1067056736.db2.gz KILTTYPJECRZEK-UHFFFAOYSA-N 1 0 494.057 4.120 20 0 JIADRO Cc1nc(N2CCCCC2)sc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC001318630205 1067057773 /nfs/dbraw/zinc/05/77/73/1067057773.db2.gz OSUMJSQLHCOIBO-UHFFFAOYSA-N 1 0 451.434 4.114 20 0 JIADRO CN1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](c2ccccc2)C1 ZINC001351191132 1067058071 /nfs/dbraw/zinc/05/80/71/1067058071.db2.gz NBDVCHWKHYTFLU-SFHVURJKSA-N 1 0 452.190 4.269 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732210 1067067231 /nfs/dbraw/zinc/06/72/31/1067067231.db2.gz UYRVGCCIUOHQPW-JMUQELJHSA-N 1 0 453.583 4.141 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001354733424 1067067991 /nfs/dbraw/zinc/06/79/91/1067067991.db2.gz YDSGGZJEURPWPQ-CDMWWTFKSA-N 1 0 457.977 4.025 20 0 JIADRO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001320672876 1067090692 /nfs/dbraw/zinc/09/06/92/1067090692.db2.gz GSLHKQLUOWEPLL-SANMLTNESA-N 1 0 490.673 4.129 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC001351421136 1067092798 /nfs/dbraw/zinc/09/27/98/1067092798.db2.gz NFXIVAUNMYBXCZ-ZJSXRUAMSA-N 1 0 457.640 4.202 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001321368399 1067106801 /nfs/dbraw/zinc/10/68/01/1067106801.db2.gz HHTYILBPDQWFJP-UHFFFAOYSA-N 1 0 467.614 4.093 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001321414708 1067118526 /nfs/dbraw/zinc/11/85/26/1067118526.db2.gz PEOXOEHTHYVYNU-UHFFFAOYSA-N 1 0 476.627 4.267 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001351527770 1067119324 /nfs/dbraw/zinc/11/93/24/1067119324.db2.gz DUKQMWQPRRWVNB-QAPCUYQASA-N 1 0 455.352 4.429 20 0 JIADRO COC1CCC(CCn2c(COc3cccc(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300723879 1067123879 /nfs/dbraw/zinc/12/38/79/1067123879.db2.gz XWRORCGUMOHZPB-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001321427705 1067126159 /nfs/dbraw/zinc/12/61/59/1067126159.db2.gz ZNQNQOFSFGLANS-XMMPIXPASA-N 1 0 450.583 4.387 20 0 JIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001351594723 1067138541 /nfs/dbraw/zinc/13/85/41/1067138541.db2.gz PQNPVELRRFPGFU-UHFFFAOYSA-N 1 0 450.970 4.247 20 0 JIADRO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc12 ZINC001321550739 1067162744 /nfs/dbraw/zinc/16/27/44/1067162744.db2.gz OPKCZXXSURATBN-UHFFFAOYSA-N 1 0 477.609 4.275 20 0 JIADRO CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)[C@@H]1c1cccc(C)c1 ZINC001351748875 1067190354 /nfs/dbraw/zinc/19/03/54/1067190354.db2.gz FEIXSDWIRZZEDO-RDGATRHJSA-N 1 0 451.636 4.400 20 0 JIADRO CO[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(Br)s1 ZINC001351789974 1067206932 /nfs/dbraw/zinc/20/69/32/1067206932.db2.gz UTZXAZWFRSVYSM-SFHVURJKSA-N 1 0 455.443 4.428 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492578368 1067211901 /nfs/dbraw/zinc/21/19/01/1067211901.db2.gz HENPZGFLFWHCIJ-FBLLAGFSSA-N 1 0 496.725 4.087 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOCC4(CCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492549343 1067214968 /nfs/dbraw/zinc/21/49/68/1067214968.db2.gz XTJGDIVTGIYHRG-QFIPXVFZSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1cc(NC(=O)c2ccc(OC(F)F)c(Br)c2)ccc1N1CC[NH+](C)CC1 ZINC001351840711 1067220986 /nfs/dbraw/zinc/22/09/86/1067220986.db2.gz BTIHFTPDDIKDEE-UHFFFAOYSA-N 1 0 454.315 4.363 20 0 JIADRO O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001321960975 1067233647 /nfs/dbraw/zinc/23/36/47/1067233647.db2.gz RIMQGRQJJMCJSW-UHFFFAOYSA-N 1 0 468.561 4.025 20 0 JIADRO COc1ccc([C@@H](CNC(=O)NCc2cc(Cl)c(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC001351925809 1067245751 /nfs/dbraw/zinc/24/57/51/1067245751.db2.gz VZRJVDVFDPQZLH-OAQYLSRUSA-N 1 0 461.990 4.392 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300753421 1067278629 /nfs/dbraw/zinc/27/86/29/1067278629.db2.gz HYFRAXCXNNMUTM-QHAWAJNXSA-N 1 0 459.610 4.437 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4[nH]c(CN5CCCCC5)nc4c3)cc2)CC1 ZINC001322392683 1067286095 /nfs/dbraw/zinc/28/60/95/1067286095.db2.gz LAGQXGFQECKZPS-UHFFFAOYSA-N 1 0 460.626 4.332 20 0 JIADRO COc1cc([C@@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OCC(C)C ZINC001322424563 1067290422 /nfs/dbraw/zinc/29/04/22/1067290422.db2.gz WAJVFEWKPZSNJQ-OAQYLSRUSA-N 1 0 468.642 4.038 20 0 JIADRO COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(OC)c1 ZINC001352118978 1067291529 /nfs/dbraw/zinc/29/15/29/1067291529.db2.gz VZUIEJZMDPPKGQ-IJDCVRSUSA-N 1 0 472.541 4.098 20 0 JIADRO COc1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc(OC)c1OC ZINC001352134607 1067296471 /nfs/dbraw/zinc/29/64/71/1067296471.db2.gz WBPMQRVANSDPOY-FUFSCUOVSA-N 1 0 474.601 4.419 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001300761567 1067301244 /nfs/dbraw/zinc/30/12/44/1067301244.db2.gz QGTAAZMYWOGIHA-PKOBYXMFSA-N 1 0 482.456 4.368 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001300764844 1067306000 /nfs/dbraw/zinc/30/60/00/1067306000.db2.gz WVBUXUBVALKYID-IEBWSBKVSA-N 1 0 450.002 4.473 20 0 JIADRO CCCN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352178282 1067306696 /nfs/dbraw/zinc/30/66/96/1067306696.db2.gz ZUBONDASDCMCAU-OAQYLSRUSA-N 1 0 455.002 4.386 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492579342 1067313606 /nfs/dbraw/zinc/31/36/06/1067313606.db2.gz INKYYWFBHZNZFH-URXFXBBRSA-N 1 0 496.700 4.401 20 0 JIADRO Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1C(C)C ZINC001352237852 1067315063 /nfs/dbraw/zinc/31/50/63/1067315063.db2.gz MQROFNTYDSBUOU-NRFANRHFSA-N 1 0 459.594 4.254 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300771577 1067320075 /nfs/dbraw/zinc/32/00/75/1067320075.db2.gz COZXNPRRHJQBDK-WOIUINJBSA-N 1 0 462.038 4.246 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300771764 1067320377 /nfs/dbraw/zinc/32/03/77/1067320377.db2.gz FBLNOLSHCLOBCD-VWNXMTODSA-N 1 0 455.647 4.354 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001300771928 1067321047 /nfs/dbraw/zinc/32/10/47/1067321047.db2.gz FXAFDUIVSRAUTB-OAQYLSRUSA-N 1 0 457.663 4.492 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001492495239 1067322973 /nfs/dbraw/zinc/32/29/73/1067322973.db2.gz SNLGRUNTIRQOMW-HXUWFJFHSA-N 1 0 465.621 4.011 20 0 JIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354993149 1067323929 /nfs/dbraw/zinc/32/39/29/1067323929.db2.gz NXXMCWDDDADJLZ-SFHVURJKSA-N 1 0 451.546 4.431 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001300775446 1067328732 /nfs/dbraw/zinc/32/87/32/1067328732.db2.gz WJIAEMBEZQXNAY-NRFANRHFSA-N 1 0 452.603 4.334 20 0 JIADRO CO[C@H]1CCCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001300777176 1067331124 /nfs/dbraw/zinc/33/11/24/1067331124.db2.gz XGBGNPHGWPJIIN-QFIPXVFZSA-N 1 0 474.049 4.129 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300000443 1067336438 /nfs/dbraw/zinc/33/64/38/1067336438.db2.gz DBUCNSBFYWZRKY-UZTOHYMASA-N 1 0 479.673 4.451 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001492497277 1067336392 /nfs/dbraw/zinc/33/63/92/1067336392.db2.gz RUDAHQGNVQGDDR-HSZRJFAPSA-N 1 0 489.668 4.036 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492497298 1067336641 /nfs/dbraw/zinc/33/66/41/1067336641.db2.gz SHUDEYWCLAJQEO-HXUWFJFHSA-N 1 0 497.688 4.216 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001300781786 1067337326 /nfs/dbraw/zinc/33/73/26/1067337326.db2.gz DGRQRCDRJFFZNG-OAQYLSRUSA-N 1 0 462.038 4.103 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC2([NH+]3CCSCC3)CCCC2)c(OC)c1 ZINC001300001190 1067338713 /nfs/dbraw/zinc/33/87/13/1067338713.db2.gz RZJDEYIGGRKJJY-UHFFFAOYSA-N 1 0 499.603 4.322 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCSCC2)CC1 ZINC001300782321 1067338743 /nfs/dbraw/zinc/33/87/43/1067338743.db2.gz LHVPHZSPHXYZAU-UHFFFAOYSA-N 1 0 468.042 4.180 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300782418 1067339040 /nfs/dbraw/zinc/33/90/40/1067339040.db2.gz MKQCRMVOSAJENE-CALCHBBNSA-N 1 0 480.028 4.241 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300001300 1067339193 /nfs/dbraw/zinc/33/91/93/1067339193.db2.gz VVOUZFQUFPOEDN-KNQAVFIVSA-N 1 0 484.670 4.007 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300001299 1067339239 /nfs/dbraw/zinc/33/92/39/1067339239.db2.gz VVOUZFQUFPOEDN-DENIHFKCSA-N 1 0 484.670 4.007 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300003065 1067345531 /nfs/dbraw/zinc/34/55/31/1067345531.db2.gz ZBCGREUBGUDAMJ-KDURUIRLSA-N 1 0 483.613 4.080 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001300785120 1067345821 /nfs/dbraw/zinc/34/58/21/1067345821.db2.gz AVJSAEZIXUBIQM-UXHICEINSA-N 1 0 473.637 4.368 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001300787122 1067350367 /nfs/dbraw/zinc/35/03/67/1067350367.db2.gz ULJAHGLFCKTAPL-DEOSSOPVSA-N 1 0 483.701 4.318 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300005057 1067351540 /nfs/dbraw/zinc/35/15/40/1067351540.db2.gz CKPFBSQSOSMBSL-RWWKDMOOSA-N 1 0 459.610 4.267 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001300787702 1067352117 /nfs/dbraw/zinc/35/21/17/1067352117.db2.gz ZQOPMNYVLLRMHS-GOTSBHOMSA-N 1 0 498.672 4.075 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001300787745 1067352547 /nfs/dbraw/zinc/35/25/47/1067352547.db2.gz YJWAJWPRWVTMGI-SFHVURJKSA-N 1 0 480.028 4.100 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300007059 1067356521 /nfs/dbraw/zinc/35/65/21/1067356521.db2.gz PFVWKYGFMJCJQD-GOSISDBHSA-N 1 0 468.602 4.160 20 0 JIADRO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC001200851975 1067357149 /nfs/dbraw/zinc/35/71/49/1067357149.db2.gz RFUUNFPCNPHGFQ-MOPGFXCFSA-N 1 0 450.649 4.024 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300007450 1067357425 /nfs/dbraw/zinc/35/74/25/1067357425.db2.gz SQUADDIPVCAOKW-RTBURBONSA-N 1 0 452.603 4.335 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300010215 1067362099 /nfs/dbraw/zinc/36/20/99/1067362099.db2.gz DKYNXXAOBXCNOI-YZIHRLCOSA-N 1 0 455.647 4.327 20 0 JIADRO COC1CC[NH+](C2(Cn3c(Cc4ccsc4)nnc3N(C)CCC(F)F)CCCC2)CC1 ZINC001300791572 1067362563 /nfs/dbraw/zinc/36/25/63/1067362563.db2.gz NDJALILAUNMDSN-UHFFFAOYSA-N 1 0 467.630 4.445 20 0 JIADRO COc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2CC[N@@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001300017644 1067379779 /nfs/dbraw/zinc/37/97/79/1067379779.db2.gz ZXCPFJMKQHEZDZ-IBGZPJMESA-N 1 0 453.587 4.455 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300017730 1067380083 /nfs/dbraw/zinc/38/00/83/1067380083.db2.gz USSLSRCLACZNNM-JOCHJYFZSA-N 1 0 457.619 4.393 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC001355149683 1067381464 /nfs/dbraw/zinc/38/14/64/1067381464.db2.gz YJKOXZDMWPRWKP-RRPNLBNLSA-N 1 0 471.601 4.316 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492581566 1067385511 /nfs/dbraw/zinc/38/55/11/1067385511.db2.gz JWKXPWZFSMSHMY-ILBGXUMGSA-N 1 0 453.675 4.407 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001300021832 1067386622 /nfs/dbraw/zinc/38/66/22/1067386622.db2.gz LAQWPKBVJCXHIF-HOTGVXAUSA-N 1 0 464.452 4.396 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300023224 1067391722 /nfs/dbraw/zinc/39/17/22/1067391722.db2.gz JEVCOANFWBBOQR-FQEVSTJZSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300025930 1067397008 /nfs/dbraw/zinc/39/70/08/1067397008.db2.gz WWBPTWUJHYJNNG-CWAZBZNHSA-N 1 0 471.646 4.086 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001355286793 1067404635 /nfs/dbraw/zinc/40/46/35/1067404635.db2.gz AGPARLGBLLQVSH-HSZRJFAPSA-N 1 0 452.599 4.076 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032956 1067429568 /nfs/dbraw/zinc/42/95/68/1067429568.db2.gz JTFAOLCINITDJL-RBBKRZOGSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300036042 1067443692 /nfs/dbraw/zinc/44/36/92/1067443692.db2.gz JFZKHPJDROBVPX-ZWKOTPCHSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300038066 1067450121 /nfs/dbraw/zinc/45/01/21/1067450121.db2.gz KPNQAZHDVTVWDP-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2cccnc2)c(OC)c1 ZINC001300040179 1067459795 /nfs/dbraw/zinc/45/97/95/1067459795.db2.gz HUZZEURZVFVIJU-UHFFFAOYSA-N 1 0 478.641 4.157 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC001300040284 1067460682 /nfs/dbraw/zinc/46/06/82/1067460682.db2.gz KFTBTPSZIGAPHE-RBBKRZOGSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1OC ZINC001300040285 1067461379 /nfs/dbraw/zinc/46/13/79/1067461379.db2.gz KFTBTPSZIGAPHE-UNMCSNQZSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOc2ncccc2Cl)cc1 ZINC001300044968 1067491412 /nfs/dbraw/zinc/49/14/12/1067491412.db2.gz ZJSOTVMXOOVNCI-UHFFFAOYSA-N 1 0 471.005 4.048 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300045715 1067495040 /nfs/dbraw/zinc/49/50/40/1067495040.db2.gz OVGIXNGHMCTVDZ-OAQYLSRUSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC4CCCC4)CC3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300045816 1067495963 /nfs/dbraw/zinc/49/59/63/1067495963.db2.gz RSQUZJBIJMWTQI-UHFFFAOYSA-N 1 0 471.646 4.231 20 0 JIADRO C[NH+](C)CCOc1cccc(NC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001355534718 1067502421 /nfs/dbraw/zinc/50/24/21/1067502421.db2.gz ZBWDBJSPRFASID-SANMLTNESA-N 1 0 453.583 4.144 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300051729 1067517814 /nfs/dbraw/zinc/51/78/14/1067517814.db2.gz OAZOVJKTSKANNQ-MWTRTKDXSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300051837 1067519376 /nfs/dbraw/zinc/51/93/76/1067519376.db2.gz QSQZENQPJQXDMS-OFVILXPXSA-N 1 0 453.587 4.245 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001492582301 1067524544 /nfs/dbraw/zinc/52/45/44/1067524544.db2.gz CPCDJDSRXYFIRY-HSZRJFAPSA-N 1 0 482.673 4.109 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCC(C)C ZINC001492582766 1067531568 /nfs/dbraw/zinc/53/15/68/1067531568.db2.gz SIFKFDIIINELSL-VWLOTQADSA-N 1 0 452.691 4.218 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300055887 1067538100 /nfs/dbraw/zinc/53/81/00/1067538100.db2.gz CXTFHNQQFTXPAG-VQTJNVASSA-N 1 0 493.530 4.397 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300055983 1067539090 /nfs/dbraw/zinc/53/90/90/1067539090.db2.gz DPXKXAKKXDFIRR-UNMCSNQZSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300056572 1067542161 /nfs/dbraw/zinc/54/21/61/1067542161.db2.gz LNXLBJBDWAHPKB-WIYYLYMNSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300057665 1067547008 /nfs/dbraw/zinc/54/70/08/1067547008.db2.gz XTAZHSRSALKZHI-OALUTQOASA-N 1 0 471.646 4.229 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492584387 1067562242 /nfs/dbraw/zinc/56/22/42/1067562242.db2.gz JTMVZKKPAVTWIL-QHCPKHFHSA-N 1 0 494.728 4.430 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC001355735407 1067567995 /nfs/dbraw/zinc/56/79/95/1067567995.db2.gz LXNGEGHCTFNTDX-WDDWZANVSA-N 1 0 455.602 4.032 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492584037 1067568613 /nfs/dbraw/zinc/56/86/13/1067568613.db2.gz CILADAZVXDFDOF-FXSPECFOSA-N 1 0 494.728 4.286 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300063494 1067573163 /nfs/dbraw/zinc/57/31/63/1067573163.db2.gz SZFCZZOLQKFGJO-QHAWAJNXSA-N 1 0 455.647 4.325 20 0 JIADRO CC(=O)c1cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c(C)nc1C ZINC001355800391 1067583044 /nfs/dbraw/zinc/58/30/44/1067583044.db2.gz MKYWQWCMBAMBMG-UHFFFAOYSA-N 1 0 456.590 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)c(OC)c1 ZINC001300074399 1067597805 /nfs/dbraw/zinc/59/78/05/1067597805.db2.gz FJWVZXFHHORMFS-AREMUKBSSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001300076153 1067603018 /nfs/dbraw/zinc/60/30/18/1067603018.db2.gz RNEGVRDXLHDOMV-IRLDBZIGSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300076457 1067603455 /nfs/dbraw/zinc/60/34/55/1067603455.db2.gz GLVWSQXHHFEPCL-ISKFKSNPSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300076528 1067604072 /nfs/dbraw/zinc/60/40/72/1067604072.db2.gz HJCPKJNJJNAURQ-DHIUTWEWSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300076534 1067604161 /nfs/dbraw/zinc/60/41/61/1067604161.db2.gz HJCPKJNJJNAURQ-PKTZIBPZSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)cc1 ZINC001300077391 1067606967 /nfs/dbraw/zinc/60/69/67/1067606967.db2.gz QEFVPRCXLLTPOS-QHCPKHFHSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300077982 1067610161 /nfs/dbraw/zinc/61/01/61/1067610161.db2.gz DOKJZPIWYIZOCY-YLJYHZDGSA-N 1 0 481.563 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300084990 1067625916 /nfs/dbraw/zinc/62/59/16/1067625916.db2.gz ILCWEVYDPQTHIJ-LJQANCHMSA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300085239 1067626758 /nfs/dbraw/zinc/62/67/58/1067626758.db2.gz POWRHJUJTGOXNJ-GOSISDBHSA-N 1 0 459.660 4.169 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC001356008291 1067631790 /nfs/dbraw/zinc/63/17/90/1067631790.db2.gz DMQVEGVSGINCSD-UHFFFAOYSA-N 1 0 457.500 4.432 20 0 JIADRO Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC001200108335 1067639980 /nfs/dbraw/zinc/63/99/80/1067639980.db2.gz XBLSGEHJCYKWCK-OAQYLSRUSA-N 1 0 450.583 4.179 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300098557 1067666343 /nfs/dbraw/zinc/66/63/43/1067666343.db2.gz LSXCIGLTYKEKNV-IMSXRSKXSA-N 1 0 455.647 4.326 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001300099270 1067670293 /nfs/dbraw/zinc/67/02/93/1067670293.db2.gz VLIRCLOIDHFESW-LADGPHEKSA-N 1 0 469.674 4.454 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300099551 1067671609 /nfs/dbraw/zinc/67/16/09/1067671609.db2.gz HOAOBHKMSZMKKW-GBXCKJPGSA-N 1 0 477.657 4.179 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300102803 1067681256 /nfs/dbraw/zinc/68/12/56/1067681256.db2.gz KHXNYCBGTVXTTJ-NRFANRHFSA-N 1 0 464.658 4.482 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001300106681 1067694592 /nfs/dbraw/zinc/69/45/92/1067694592.db2.gz DTHDBKXJMARZBZ-FQEVSTJZSA-N 1 0 453.656 4.348 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300107779 1067701562 /nfs/dbraw/zinc/70/15/62/1067701562.db2.gz JSOCNKQYKXDIDU-DEOSSOPVSA-N 1 0 496.744 4.359 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[NH+]2CCSCC2)cc1 ZINC001300111050 1067711658 /nfs/dbraw/zinc/71/16/58/1067711658.db2.gz JVGAKZGMGZQWPI-UHFFFAOYSA-N 1 0 492.114 4.472 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300111916 1067713455 /nfs/dbraw/zinc/71/34/55/1067713455.db2.gz TWHGVDRBRDTMIU-NRFANRHFSA-N 1 0 457.663 4.055 20 0 JIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC001356288058 1067716742 /nfs/dbraw/zinc/71/67/42/1067716742.db2.gz WMKIDAZGOSQSRK-GOSISDBHSA-N 1 0 458.400 4.044 20 0 JIADRO COc1ccc(CCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001300113283 1067718025 /nfs/dbraw/zinc/71/80/25/1067718025.db2.gz IQPMVPWITZXVRX-UHFFFAOYSA-N 1 0 481.685 4.367 20 0 JIADRO COc1ccc(CCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001300113284 1067718168 /nfs/dbraw/zinc/71/81/68/1067718168.db2.gz IRMKIXUKJUJYPB-UHFFFAOYSA-N 1 0 463.548 4.257 20 0 JIADRO COc1ccc(CCc2nnc(N3CC=C(C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300113441 1067718655 /nfs/dbraw/zinc/71/86/55/1067718655.db2.gz JRMMCGYKUCNXDM-FGZHOGPDSA-N 1 0 467.658 4.116 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300114284 1067721658 /nfs/dbraw/zinc/72/16/58/1067721658.db2.gz NINNCDPGMPFLCZ-NRFANRHFSA-N 1 0 477.657 4.009 20 0 JIADRO Cc1cc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1N1CC[NH+](C)CC1 ZINC001352790553 1067725590 /nfs/dbraw/zinc/72/55/90/1067725590.db2.gz VYUOLNHYRGQLQE-BKMJKUGQSA-N 1 0 456.631 4.255 20 0 JIADRO CC(C)(CNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[N@@H+]1CCc2ccccc2C1 ZINC001200135367 1067725654 /nfs/dbraw/zinc/72/56/54/1067725654.db2.gz CTRJHXMESXENDF-UHFFFAOYSA-N 1 0 454.468 4.319 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300119589 1067734090 /nfs/dbraw/zinc/73/40/90/1067734090.db2.gz ISCCWDUXIUPWMC-NHCUHLMSSA-N 1 0 469.674 4.242 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@]4(C3)CCCOC4)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300119522 1067734105 /nfs/dbraw/zinc/73/41/05/1067734105.db2.gz HEMMZBABVUKZCV-KCWPFWIISA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300120044 1067735913 /nfs/dbraw/zinc/73/59/13/1067735913.db2.gz DQJSWUNKRRAQQI-AMGIVPHBSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300125906 1067751481 /nfs/dbraw/zinc/75/14/81/1067751481.db2.gz NHJWSBQDNDAYEB-ILBGXUMGSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300125912 1067751593 /nfs/dbraw/zinc/75/15/93/1067751593.db2.gz NHJWSBQDNDAYEB-ZCYQVOJMSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300125910 1067751785 /nfs/dbraw/zinc/75/17/85/1067751785.db2.gz NHJWSBQDNDAYEB-UKILVPOCSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001300126763 1067754923 /nfs/dbraw/zinc/75/49/23/1067754923.db2.gz IKNCPGPMKIEOEE-UHFFFAOYSA-N 1 0 465.564 4.335 20 0 JIADRO Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC001356451697 1067755026 /nfs/dbraw/zinc/75/50/26/1067755026.db2.gz NLDAXUCMBZBCFG-AWEZNQCLSA-N 1 0 456.896 4.377 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300126976 1067756245 /nfs/dbraw/zinc/75/62/45/1067756245.db2.gz XXXAFKDFJJMWSJ-DEOSSOPVSA-N 1 0 469.674 4.198 20 0 JIADRO Cc1ccc(NC(=S)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Br)c1 ZINC001200147028 1067757749 /nfs/dbraw/zinc/75/77/49/1067757749.db2.gz HNEAYFGIBHWOFA-UHFFFAOYSA-N 1 0 489.483 4.464 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300127919 1067760397 /nfs/dbraw/zinc/76/03/97/1067760397.db2.gz DAPKLWAZPMZJGK-ODAXIHTASA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[NH+]2CCCC2)cc1 ZINC001300127972 1067760501 /nfs/dbraw/zinc/76/05/01/1067760501.db2.gz FXIRUDOSAJMUED-BGYRXZFFSA-N 1 0 461.601 4.285 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)cc1 ZINC001300130854 1067766278 /nfs/dbraw/zinc/76/62/78/1067766278.db2.gz GASXZJHEAFBUQH-UHFFFAOYSA-N 1 0 487.073 4.120 20 0 JIADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1ccc(I)cc1 ZINC001352857456 1067767569 /nfs/dbraw/zinc/76/75/69/1067767569.db2.gz AXZLZROYANERPS-OAHLLOKOSA-N 1 0 454.327 4.124 20 0 JIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001352857672 1067768156 /nfs/dbraw/zinc/76/81/56/1067768156.db2.gz BTSCOORAGORLJO-UHFFFAOYSA-N 1 0 458.965 4.427 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)cc21 ZINC001356515005 1067768875 /nfs/dbraw/zinc/76/88/75/1067768875.db2.gz VQXVSBSVTGTOPX-UHFFFAOYSA-N 1 0 453.445 4.479 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001352864720 1067772976 /nfs/dbraw/zinc/77/29/76/1067772976.db2.gz WVZGBFMDVBSOSC-UHFFFAOYSA-N 1 0 458.002 4.279 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1Cl ZINC001356555477 1067778073 /nfs/dbraw/zinc/77/80/73/1067778073.db2.gz TVAHSDHRDOFBOZ-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO COC(=O)[C@]1(NC(=S)Nc2ccc(C)cc2Br)CCC[N@H+](Cc2ccccc2)C1 ZINC001200157055 1067779064 /nfs/dbraw/zinc/77/90/64/1067779064.db2.gz XBABWAHRKMKUOF-QFIPXVFZSA-N 1 0 476.440 4.252 20 0 JIADRO CC1CC[NH+](CCc2cccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)c2)CC1 ZINC001356604339 1067787500 /nfs/dbraw/zinc/78/75/00/1067787500.db2.gz MUXFHOZSUHLUCW-HSZRJFAPSA-N 1 0 459.631 4.316 20 0 JIADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001356604971 1067787860 /nfs/dbraw/zinc/78/78/60/1067787860.db2.gz SNKNLCVZIANFJX-IBGZPJMESA-N 1 0 456.428 4.325 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849062619 1067791441 /nfs/dbraw/zinc/79/14/41/1067791441.db2.gz WQPPVHZDBCJYCS-MRXNPFEDSA-N 1 0 478.424 4.029 20 0 JIADRO COc1ccc(CCn2c(C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cc1Br ZINC001300142404 1067793246 /nfs/dbraw/zinc/79/32/46/1067793246.db2.gz LOLBJEBPVZXAAZ-UHFFFAOYSA-N 1 0 476.463 4.301 20 0 JIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(C)ccc1Br ZINC001356622849 1067793855 /nfs/dbraw/zinc/79/38/55/1067793855.db2.gz CZOOTXOWMPSUSH-SFHVURJKSA-N 1 0 454.372 4.357 20 0 JIADRO C[C@@H](NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000849072487 1067797000 /nfs/dbraw/zinc/79/70/00/1067797000.db2.gz OFUHEHMSWJCZJQ-CQSZACIVSA-N 1 0 455.411 4.153 20 0 JIADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000849074775 1067797179 /nfs/dbraw/zinc/79/71/79/1067797179.db2.gz WQHRWHJZFMKBKR-GOSISDBHSA-N 1 0 498.499 4.446 20 0 JIADRO [NH2+]=C(NCCCNC(=O)c1cccc(Br)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849074766 1067797247 /nfs/dbraw/zinc/79/72/47/1067797247.db2.gz VIIWGDWMQWKEPJ-UHFFFAOYSA-N 1 0 459.266 4.104 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492584456 1067798684 /nfs/dbraw/zinc/79/86/84/1067798684.db2.gz LDKSDIZTYLLNBN-PKTZIBPZSA-N 1 0 496.700 4.403 20 0 JIADRO CCc1cc2c(CSCC[NH+]3CCN(c4cccc(OC)c4)CC3)cc(=O)oc2cc1O ZINC001473085495 1067800653 /nfs/dbraw/zinc/80/06/53/1067800653.db2.gz JLHMAGXZMTXZJU-UHFFFAOYSA-N 1 0 454.592 4.125 20 0 JIADRO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC001300149761 1067805165 /nfs/dbraw/zinc/80/51/65/1067805165.db2.gz PSXYPRYPUWVBQZ-NRFANRHFSA-N 1 0 455.647 4.191 20 0 JIADRO C[N@H+](CCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154133 1067810464 /nfs/dbraw/zinc/81/04/64/1067810464.db2.gz LUCAKXWDPHRUFE-KSEOMHKRSA-N 1 0 451.652 4.094 20 0 JIADRO COc1ccc(CCn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)cc1 ZINC001300156221 1067812596 /nfs/dbraw/zinc/81/25/96/1067812596.db2.gz SSDUNRAYRIWFIT-XUZZJYLKSA-N 1 0 479.673 4.080 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001300163112 1067819295 /nfs/dbraw/zinc/81/92/95/1067819295.db2.gz UVUKMRWNVBFYPU-ZRCGQRJVSA-N 1 0 459.631 4.044 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC001300163866 1067820783 /nfs/dbraw/zinc/82/07/83/1067820783.db2.gz FDLRBSUJOVKRMK-BCHFMIIMSA-N 1 0 464.614 4.201 20 0 JIADRO CCCc1ccc(N2C[C@H](C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)CC2=O)cc1 ZINC001357226281 1067820880 /nfs/dbraw/zinc/82/08/80/1067820880.db2.gz GDWXRPNMFLVWIX-JOCHJYFZSA-N 1 0 451.636 4.488 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300164965 1067822652 /nfs/dbraw/zinc/82/26/52/1067822652.db2.gz YLWHVNRPKAIUBI-HXUWFJFHSA-N 1 0 483.613 4.001 20 0 JIADRO Brc1ccccc1CN1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC001200193804 1067826580 /nfs/dbraw/zinc/82/65/80/1067826580.db2.gz UAQISZWDGHMNQZ-UHFFFAOYSA-N 1 0 450.465 4.038 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCSCC(C)C ZINC001492585540 1067828634 /nfs/dbraw/zinc/82/86/34/1067828634.db2.gz IREBIRMDPVQHRE-QHCPKHFHSA-N 1 0 471.715 4.115 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001492585440 1067828666 /nfs/dbraw/zinc/82/86/66/1067828666.db2.gz HBEINVJCMADDAI-UHFFFAOYSA-N 1 0 480.701 4.137 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cc1O ZINC001300170422 1067829203 /nfs/dbraw/zinc/82/92/03/1067829203.db2.gz RYKHTRWFSTZBCI-CVDCTZTESA-N 1 0 457.619 4.135 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300171743 1067830876 /nfs/dbraw/zinc/83/08/76/1067830876.db2.gz BSAYVJUOCLBPPZ-RUZDIDTESA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300178463 1067839394 /nfs/dbraw/zinc/83/93/94/1067839394.db2.gz ARDDJHKLVZITPL-ISJGIBHGSA-N 1 0 499.700 4.199 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001300179680 1067842566 /nfs/dbraw/zinc/84/25/66/1067842566.db2.gz DMNLPRSUPJBSEZ-VXKWHMMOSA-N 1 0 469.674 4.464 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N[C@@H]1CC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001200205383 1067842695 /nfs/dbraw/zinc/84/26/95/1067842695.db2.gz CIKAEWHMFJDFFL-MRXNPFEDSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300180260 1067843192 /nfs/dbraw/zinc/84/31/92/1067843192.db2.gz KIZQGMFNQOJHJJ-DCFHFQCYSA-N 1 0 479.673 4.295 20 0 JIADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357411605 1067845757 /nfs/dbraw/zinc/84/57/57/1067845757.db2.gz SDBAIMCVKCOBFQ-HXUWFJFHSA-N 1 0 457.412 4.136 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cc(Br)c4ccccc4c3)cc21 ZINC001357428075 1067848994 /nfs/dbraw/zinc/84/89/94/1067848994.db2.gz XDCLJPYZIGXYML-UHFFFAOYSA-N 1 0 454.324 4.324 20 0 JIADRO COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1F ZINC001300192127 1067857204 /nfs/dbraw/zinc/85/72/04/1067857204.db2.gz RNHIDIKJFAFBAG-UHFFFAOYSA-N 1 0 491.409 4.152 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC001300192882 1067858744 /nfs/dbraw/zinc/85/87/44/1067858744.db2.gz HVDNGOGQEDWFAK-UHFFFAOYSA-N 1 0 467.614 4.470 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200221978 1067864086 /nfs/dbraw/zinc/86/40/86/1067864086.db2.gz NNMXDOUEZLMVRA-UXHICEINSA-N 1 0 475.456 4.133 20 0 JIADRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@@H+]3C2)n1 ZINC001200223214 1067867411 /nfs/dbraw/zinc/86/74/11/1067867411.db2.gz UEGAIYLUQCVZOJ-NHCUHLMSSA-N 1 0 489.483 4.441 20 0 JIADRO Cc1ccc(C2(C(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CCOCC2)cc1C ZINC001357577805 1067873347 /nfs/dbraw/zinc/87/33/47/1067873347.db2.gz DZYVISIPZHXBBY-NRFANRHFSA-N 1 0 453.602 4.120 20 0 JIADRO Cc1c(Br)cc(F)cc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578113 1067873656 /nfs/dbraw/zinc/87/36/56/1067873656.db2.gz HCVSKYBTWBPLRA-CQSZACIVSA-N 1 0 452.343 4.279 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599136 1067876095 /nfs/dbraw/zinc/87/60/95/1067876095.db2.gz KFNVDJNXPNGNKD-BJKOFHAPSA-N 1 0 453.583 4.281 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1)C[C@H]1CCCCO1 ZINC001357599137 1067876191 /nfs/dbraw/zinc/87/61/91/1067876191.db2.gz KFNVDJNXPNGNKD-DNQXCXABSA-N 1 0 453.583 4.281 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630822 1067879536 /nfs/dbraw/zinc/87/95/36/1067879536.db2.gz KKHGGEUZKUSYBI-FXAWDEMLSA-N 1 0 453.384 4.259 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)C1 ZINC001357644554 1067881782 /nfs/dbraw/zinc/88/17/82/1067881782.db2.gz KYRMBPZRXGUZAQ-KRWDZBQOSA-N 1 0 454.983 4.413 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)C1 ZINC001357644555 1067881843 /nfs/dbraw/zinc/88/18/43/1067881843.db2.gz KYRMBPZRXGUZAQ-QGZVFWFLSA-N 1 0 454.983 4.413 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cc(Br)ccc2-n2cccn2)cc1 ZINC001353198813 1067897651 /nfs/dbraw/zinc/89/76/51/1067897651.db2.gz IELXLJUUILRDKI-UHFFFAOYSA-N 1 0 457.372 4.147 20 0 JIADRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001200267873 1067908749 /nfs/dbraw/zinc/90/87/49/1067908749.db2.gz JZTNMTULRVJSHO-UHFFFAOYSA-N 1 0 459.015 4.025 20 0 JIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1CNC(=O)OC(C)(C)C ZINC001357828429 1067914828 /nfs/dbraw/zinc/91/48/28/1067914828.db2.gz ICJYHWMNSNBIOX-UHFFFAOYSA-N 1 0 452.599 4.485 20 0 JIADRO COc1ccc(COCCCn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001300232131 1067917698 /nfs/dbraw/zinc/91/76/98/1067917698.db2.gz MLMUYFNFWMRQDM-UHFFFAOYSA-N 1 0 498.697 4.170 20 0 JIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001357837667 1067918415 /nfs/dbraw/zinc/91/84/15/1067918415.db2.gz GHPPWANKLVCSPD-UHFFFAOYSA-N 1 0 452.986 4.281 20 0 JIADRO COc1ccc(COCCn2c(CC3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001300236418 1067929288 /nfs/dbraw/zinc/92/92/88/1067929288.db2.gz SYTQBLSXVAYNDI-UHFFFAOYSA-N 1 0 455.647 4.157 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ncoc3-c3ccc(F)cc3)cc2)C[C@H]1C ZINC001357908232 1067938544 /nfs/dbraw/zinc/93/85/44/1067938544.db2.gz ZSOHVJGOBKNOKY-KDURUIRLSA-N 1 0 451.542 4.420 20 0 JIADRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001200280448 1067945046 /nfs/dbraw/zinc/94/50/46/1067945046.db2.gz AFJTVVTUNYYEJP-QGZVFWFLSA-N 1 0 454.739 4.339 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(N(C)C2CC[NH+](CCn3cccn3)CC2)nnc1C(C)(C)C ZINC001300241309 1067953185 /nfs/dbraw/zinc/95/31/85/1067953185.db2.gz RXUBBZFKBDZPDX-UHFFFAOYSA-N 1 0 486.064 4.083 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001492561296 1067964274 /nfs/dbraw/zinc/96/42/74/1067964274.db2.gz BVCIOSHLHOUNFS-QFIPXVFZSA-N 1 0 466.674 4.117 20 0 JIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358028823 1067992323 /nfs/dbraw/zinc/99/23/23/1067992323.db2.gz NFRBMYAPEWFGDT-KRWDZBQOSA-N 1 0 451.542 4.255 20 0 JIADRO C[C@@H]1[C@H](C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001358051558 1068004080 /nfs/dbraw/zinc/00/40/80/1068004080.db2.gz XNJCLNCTJOQZLM-WIYYLYMNSA-N 1 0 458.603 4.085 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1Oc1ccncc1 ZINC001358072837 1068010282 /nfs/dbraw/zinc/01/02/82/1068010282.db2.gz QHURKYNQBIJXDV-UHFFFAOYSA-N 1 0 458.562 4.174 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCc3ccccc3Br)cc2)C1 ZINC001358073210 1068011054 /nfs/dbraw/zinc/01/10/54/1068011054.db2.gz XDBKRLLLIWGPCA-IBGZPJMESA-N 1 0 458.400 4.108 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001358077589 1068012288 /nfs/dbraw/zinc/01/22/88/1068012288.db2.gz NGEXQMORUJORTI-HSZRJFAPSA-N 1 0 453.608 4.284 20 0 JIADRO CCN1C(=O)C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1cccc(C)c1 ZINC001358095235 1068017688 /nfs/dbraw/zinc/01/76/88/1068017688.db2.gz IQEJJHLCEIDIEO-ILBGXUMGSA-N 1 0 451.636 4.135 20 0 JIADRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001353309658 1068020388 /nfs/dbraw/zinc/02/03/88/1068020388.db2.gz SRODRPJHQWEISR-NRFANRHFSA-N 1 0 453.892 4.192 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(-c3ccc(C)o3)n1CC[NH+](C(C)C)C(C)C)C[C@@H]2O ZINC001300261409 1068025797 /nfs/dbraw/zinc/02/57/97/1068025797.db2.gz PZEQLTBYHFDCDN-FQEVSTJZSA-N 1 0 483.613 4.036 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)cc1 ZINC001353324458 1068027562 /nfs/dbraw/zinc/02/75/62/1068027562.db2.gz ICBHACWOHGVPQV-UHFFFAOYSA-N 1 0 451.489 4.055 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300265437 1068035469 /nfs/dbraw/zinc/03/54/69/1068035469.db2.gz VBSWGQGVJPFLOB-XXXUMOOBSA-N 1 0 485.673 4.380 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC001358182660 1068039481 /nfs/dbraw/zinc/03/94/81/1068039481.db2.gz UDVNRLSSJMTHKO-FNHZYXHNSA-N 1 0 454.949 4.366 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[NH+]1CCSCC1 ZINC001492563500 1068040266 /nfs/dbraw/zinc/04/02/66/1068040266.db2.gz CVHKLYUNEIGSNO-UHFFFAOYSA-N 1 0 453.578 4.471 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001300272346 1068053233 /nfs/dbraw/zinc/05/32/33/1068053233.db2.gz PMOXKMGQPJAXND-QGZVFWFLSA-N 1 0 467.536 4.129 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300272594 1068053737 /nfs/dbraw/zinc/05/37/37/1068053737.db2.gz XLEJCRUNKYWKRJ-FSSWDIPSSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc2c(c1)[C@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)CCC2 ZINC001358268268 1068055573 /nfs/dbraw/zinc/05/55/73/1068055573.db2.gz FWFPQAXDLJVBCV-LJQANCHMSA-N 1 0 458.400 4.268 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300277800 1068064121 /nfs/dbraw/zinc/06/41/21/1068064121.db2.gz MMLIOTAILUYNIN-UHFFFAOYSA-N 1 0 471.671 4.240 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@H](C)SC)cc1 ZINC001300280242 1068070452 /nfs/dbraw/zinc/07/04/52/1068070452.db2.gz FWSWKEXIHQAEPW-IBGZPJMESA-N 1 0 459.660 4.072 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492564926 1068072823 /nfs/dbraw/zinc/07/28/23/1068072823.db2.gz XPRFJBJFEITLCG-HXUWFJFHSA-N 1 0 468.646 4.231 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001492565152 1068075377 /nfs/dbraw/zinc/07/53/77/1068075377.db2.gz AIIIGKMETHXCMU-IRLDBZIGSA-N 1 0 495.590 4.158 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001492564436 1068082146 /nfs/dbraw/zinc/08/21/46/1068082146.db2.gz HMISSNSOZMULRZ-FQEVSTJZSA-N 1 0 482.673 4.479 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(Cc2ccccc2F)s1)c1cccc(OC)c1 ZINC001200330880 1068093998 /nfs/dbraw/zinc/09/39/98/1068093998.db2.gz VAQURGXEIJXAMF-FQEVSTJZSA-N 1 0 457.575 4.481 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cncc(OCC(F)F)c1)c1cccc(Br)c1 ZINC001358456727 1068095670 /nfs/dbraw/zinc/09/56/70/1068095670.db2.gz IRGORWVKSYAQNB-UHFFFAOYSA-N 1 0 456.331 4.477 20 0 JIADRO CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358469868 1068098975 /nfs/dbraw/zinc/09/89/75/1068098975.db2.gz CVEKJTJRKBNBPX-IBGZPJMESA-N 1 0 458.628 4.213 20 0 JIADRO C[NH+](C)CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC001358488813 1068111592 /nfs/dbraw/zinc/11/15/92/1068111592.db2.gz GDSHLIXEVXMKMJ-UHFFFAOYSA-N 1 0 458.591 4.164 20 0 JIADRO COC(=O)COc1c(C)cc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)cc1C ZINC001353442293 1068138219 /nfs/dbraw/zinc/13/82/19/1068138219.db2.gz IWLCJAMWOLAYFM-UHFFFAOYSA-N 1 0 456.608 4.318 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(O)(Cc3ccccc3F)CC2)[C@H](O)c2ccccc21 ZINC001473432523 1068172122 /nfs/dbraw/zinc/17/21/22/1068172122.db2.gz MVPPCURYMYLAAQ-DHIUTWEWSA-N 1 0 456.558 4.052 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001473549625 1068242803 /nfs/dbraw/zinc/24/28/03/1068242803.db2.gz HUSDIXHYSNIBJI-XUZZJYLKSA-N 1 0 452.599 4.428 20 0 JIADRO COc1ccc(CNC(=S)NCC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC001200367440 1068261555 /nfs/dbraw/zinc/26/15/55/1068261555.db2.gz ASCFPLPAQHTXFA-UHFFFAOYSA-N 1 0 462.457 4.334 20 0 JIADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(OC)cc1Cl ZINC001473606560 1068267714 /nfs/dbraw/zinc/26/77/14/1068267714.db2.gz PZZCYOICLHEULD-HUUCEWRRSA-N 1 0 455.983 4.063 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](C(F)F)C2)[NH+](C)C)c1 ZINC001300334152 1068298916 /nfs/dbraw/zinc/29/89/16/1068298916.db2.gz FQFDNNQJMHETIG-PZJWPPBQSA-N 1 0 456.541 4.133 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCCC2)c1 ZINC001300334378 1068300869 /nfs/dbraw/zinc/30/08/69/1068300869.db2.gz GZEOYWJFLQOTLC-DEOSSOPVSA-N 1 0 478.641 4.437 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)[NH+](C)C)c1 ZINC001300335154 1068305408 /nfs/dbraw/zinc/30/54/08/1068305408.db2.gz MZAWQTGVCOTSFS-HSZRJFAPSA-N 1 0 496.681 4.173 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300335596 1068307867 /nfs/dbraw/zinc/30/78/67/1068307867.db2.gz UOAUADSQJIBCNM-ZEQRLZLVSA-N 1 0 478.641 4.436 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccco2)[NH+](C)C)c1 ZINC001300335637 1068308079 /nfs/dbraw/zinc/30/80/79/1068308079.db2.gz UXHIWCCBHUOMQB-GHTZIAJQSA-N 1 0 489.580 4.027 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCC(C)C)[NH+]2CCCC2)c1 ZINC001300335627 1068308335 /nfs/dbraw/zinc/30/83/35/1068308335.db2.gz UTYPJXGYTXVLCJ-QHCPKHFHSA-N 1 0 451.619 4.007 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)c1 ZINC001300335719 1068308660 /nfs/dbraw/zinc/30/86/60/1068308660.db2.gz VIARMYIJBBTDCM-QHCPKHFHSA-N 1 0 480.016 4.280 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)s2)cc1 ZINC000518682122 1068309867 /nfs/dbraw/zinc/30/98/67/1068309867.db2.gz RPPOSIDFKSIBDE-KRWDZBQOSA-N 1 0 468.602 4.211 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001545693937 1068316687 /nfs/dbraw/zinc/31/66/87/1068316687.db2.gz GZUPDKPAQCGILM-WPFOTENUSA-N 1 0 489.668 4.134 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300340586 1068323984 /nfs/dbraw/zinc/32/39/84/1068323984.db2.gz MWJLBMUXZDHLSM-YWEHKCAJSA-N 1 0 492.668 4.217 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H]2CCSC2)[NH+](C)C)c1 ZINC001300340738 1068324515 /nfs/dbraw/zinc/32/45/15/1068324515.db2.gz OHBXHQJCNDDDLA-MLDBQTBOSA-N 1 0 487.714 4.450 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)Cc3nc4ccsc4c(=O)[nH]3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300341154 1068326664 /nfs/dbraw/zinc/32/66/64/1068326664.db2.gz QUSFNJLPYGEXHY-IBGZPJMESA-N 1 0 495.653 4.234 20 0 JIADRO CC[C@H](c1nnc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1)c1ccccc1 ZINC000521748559 1068335129 /nfs/dbraw/zinc/33/51/29/1068335129.db2.gz WSHXVAONAWYMTA-VXKWHMMOSA-N 1 0 492.649 4.099 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1 ZINC000522272193 1068339244 /nfs/dbraw/zinc/33/92/44/1068339244.db2.gz DDPQILUDMFWCIP-UHFFFAOYSA-N 1 0 479.382 4.312 20 0 JIADRO CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccn(CC[NH+](C)C)n3)ccc2C)cc1 ZINC000523717981 1068347104 /nfs/dbraw/zinc/34/71/04/1068347104.db2.gz NPXHLEMKPQPUSY-UHFFFAOYSA-N 1 0 483.638 4.149 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3ccccc3F)s2)[NH+]2CCCC2)cc1 ZINC000524565396 1068353683 /nfs/dbraw/zinc/35/36/83/1068353683.db2.gz RRMKCNNVADYDHT-HXUWFJFHSA-N 1 0 455.559 4.235 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001474154099 1068360969 /nfs/dbraw/zinc/36/09/69/1068360969.db2.gz NUDMPAWRWOMUIO-NMIHRBCNSA-N 1 0 466.569 4.390 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001300352531 1068366660 /nfs/dbraw/zinc/36/66/60/1068366660.db2.gz JBNQPNNVXRVPIW-LJQANCHMSA-N 1 0 454.644 4.211 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300370263 1068420299 /nfs/dbraw/zinc/42/02/99/1068420299.db2.gz WRRLOOAFUZNKKN-IRXDYDNUSA-N 1 0 480.440 4.352 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300370124 1068420828 /nfs/dbraw/zinc/42/08/28/1068420828.db2.gz UMUQXJXVOYRXTI-REWPJTCUSA-N 1 0 455.647 4.327 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001353679686 1068433633 /nfs/dbraw/zinc/43/36/33/1068433633.db2.gz VSHJIYADWVSFJG-UHFFFAOYSA-N 1 0 454.636 4.466 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300374618 1068440399 /nfs/dbraw/zinc/44/03/99/1068440399.db2.gz IGXHKKHDSGEYOL-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1ccccc1 ZINC001353683327 1068451986 /nfs/dbraw/zinc/45/19/86/1068451986.db2.gz BBZCMMFVTOPYFQ-JXALWOEJSA-N 1 0 457.640 4.375 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1ccccc1 ZINC001353683330 1068452054 /nfs/dbraw/zinc/45/20/54/1068452054.db2.gz BBZCMMFVTOPYFQ-SKPFHBQLSA-N 1 0 457.640 4.375 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001300382840 1068472631 /nfs/dbraw/zinc/47/26/31/1068472631.db2.gz YZJQKCPKLKOEFH-OAQYLSRUSA-N 1 0 481.563 4.376 20 0 JIADRO Cc1ccc2c(c1)C1(CN2C(=O)OC(C)(C)C)CCN(C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200423268 1068484263 /nfs/dbraw/zinc/48/42/63/1068484263.db2.gz NSQFIHPMCFCJSQ-UHFFFAOYSA-N 1 0 472.699 4.444 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300388842 1068498405 /nfs/dbraw/zinc/49/84/05/1068498405.db2.gz KPSYPDAAIFNUMV-UHFFFAOYSA-N 1 0 482.673 4.055 20 0 JIADRO CCOC(=O)c1csc2nc(-c3cccc(NC(=S)NCC[NH+]4CCCCC4)c3)cn12 ZINC001200433217 1068529367 /nfs/dbraw/zinc/52/93/67/1068529367.db2.gz LALBLVYEYOCQRR-UHFFFAOYSA-N 1 0 457.625 4.012 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NC(=S)NCC[NH+]1CCCCC1)c1ccccc1O2 ZINC001200435144 1068537382 /nfs/dbraw/zinc/53/73/82/1068537382.db2.gz YWSHQQVROPHQON-OAQYLSRUSA-N 1 0 488.698 4.230 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300398664 1068545166 /nfs/dbraw/zinc/54/51/66/1068545166.db2.gz DMIJHNMOIJRATB-DHIUTWEWSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300399553 1068549796 /nfs/dbraw/zinc/54/97/96/1068549796.db2.gz HBWMONJECUHESJ-RDPSFJRHSA-N 1 0 469.674 4.310 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)c1 ZINC001300406198 1068570001 /nfs/dbraw/zinc/57/00/01/1068570001.db2.gz BMJFMWFCHDSZBD-RUZDIDTESA-N 1 0 467.658 4.451 20 0 JIADRO O=C(Nc1ccc2ccccc2c1)[C@H](Cc1ccc(O)cc1)NC(=S)NCC[NH+]1CCCCC1 ZINC001200445678 1068578747 /nfs/dbraw/zinc/57/87/47/1068578747.db2.gz UMGPFAVHKHVDLJ-VWLOTQADSA-N 1 0 476.646 4.045 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc([C@H]4CCCOC4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001300407420 1068579572 /nfs/dbraw/zinc/57/95/72/1068579572.db2.gz FOFPTPRJGIAZNO-QHCPKHFHSA-N 1 0 453.631 4.205 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300419799 1068626716 /nfs/dbraw/zinc/62/67/16/1068626716.db2.gz LIXQYOXYHYXMSD-SFHVURJKSA-N 1 0 455.006 4.370 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001300420580 1068631383 /nfs/dbraw/zinc/63/13/83/1068631383.db2.gz BXBSFOODVPBADG-JOCHJYFZSA-N 1 0 462.623 4.273 20 0 JIADRO CCOC(=O)N1[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001353844530 1068654481 /nfs/dbraw/zinc/65/44/81/1068654481.db2.gz GJPSQGIHSKWBIW-OIBXWCBGSA-N 1 0 453.583 4.373 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001353845951 1068655357 /nfs/dbraw/zinc/65/53/57/1068655357.db2.gz PTGZWXXJJMCNSB-QPPBQGQZSA-N 1 0 451.611 4.245 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300427157 1068663567 /nfs/dbraw/zinc/66/35/67/1068663567.db2.gz VDBUZUYVFWEBFH-KMRPREKFSA-N 1 0 499.700 4.341 20 0 JIADRO COc1cccc(N2CCN(c3nnc(CC4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300443324 1068727194 /nfs/dbraw/zinc/72/71/94/1068727194.db2.gz ZDRAWMPUJXEDME-UHFFFAOYSA-N 1 0 454.663 4.076 20 0 JIADRO Cc1nc(-c2cccc(C(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)c2)cs1 ZINC001353892829 1068728043 /nfs/dbraw/zinc/72/80/43/1068728043.db2.gz KPDSBOFOYGRPIA-UHFFFAOYSA-N 1 0 450.608 4.021 20 0 JIADRO CCNC(=O)c1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001353947132 1068785378 /nfs/dbraw/zinc/78/53/78/1068785378.db2.gz GOIGJSDHSNNXGC-GGXMVOPNSA-N 1 0 455.602 4.142 20 0 JIADRO COc1cccc(C[NH+]2CCC3(CCN(C(=S)NCc4cccc(OC)c4OC)CC3)CC2)c1 ZINC001200512488 1068801165 /nfs/dbraw/zinc/80/11/65/1068801165.db2.gz UILDADLSLNAIIW-UHFFFAOYSA-N 1 0 483.678 4.465 20 0 JIADRO C[C@@]1(NC(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200515334 1068803595 /nfs/dbraw/zinc/80/35/95/1068803595.db2.gz DJKPCUGABATWDE-LBNVMWSVSA-N 1 0 472.589 4.121 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300474154 1068820453 /nfs/dbraw/zinc/82/04/53/1068820453.db2.gz VEKZUCSPBBKGIE-BHIFYINESA-N 1 0 455.647 4.327 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492565997 1068821291 /nfs/dbraw/zinc/82/12/91/1068821291.db2.gz KZCNIDPCNUGPTE-GOTSBHOMSA-N 1 0 466.674 4.115 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+](C)C(C)C ZINC001300480307 1068833023 /nfs/dbraw/zinc/83/30/23/1068833023.db2.gz XWGCFXRGFGVSHY-PGRDOPGGSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CC(C)(C)C[NH+](C)C ZINC001300481511 1068836189 /nfs/dbraw/zinc/83/61/89/1068836189.db2.gz QKAWBLVGIMZHOE-UHFFFAOYSA-N 1 0 462.436 4.421 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300481764 1068836940 /nfs/dbraw/zinc/83/69/40/1068836940.db2.gz SAUXACUIOCGHIL-OYRHEFFESA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300481766 1068836993 /nfs/dbraw/zinc/83/69/93/1068836993.db2.gz SAUXACUIOCGHIL-SFTDATJTSA-N 1 0 455.647 4.325 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@@H+](C)C(C)C ZINC001492567920 1068837967 /nfs/dbraw/zinc/83/79/67/1068837967.db2.gz HQTHUTOXPHJKLE-OAQYLSRUSA-N 1 0 470.662 4.429 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492568367 1068844181 /nfs/dbraw/zinc/84/41/81/1068844181.db2.gz NKZPCFGYTOLXFU-RTWAWAEBSA-N 1 0 478.607 4.447 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001300486063 1068846006 /nfs/dbraw/zinc/84/60/06/1068846006.db2.gz PBSFVQCZHWFHEQ-AREMUKBSSA-N 1 0 483.682 4.480 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC001200539505 1068853757 /nfs/dbraw/zinc/85/37/57/1068853757.db2.gz YKAFIFPMTNDSGN-UHFFFAOYSA-N 1 0 465.019 4.238 20 0 JIADRO COc1ccccc1Cn1cnc2cc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)ccc21 ZINC001354038410 1068855735 /nfs/dbraw/zinc/85/57/35/1068855735.db2.gz LVIAGQCBLSSLLY-UHFFFAOYSA-N 1 0 456.590 4.340 20 0 JIADRO COc1cc(NC(=S)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200540957 1068856519 /nfs/dbraw/zinc/85/65/19/1068856519.db2.gz ZKPOZLNHODBCJO-MRXNPFEDSA-N 1 0 499.077 4.117 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300494158 1068862050 /nfs/dbraw/zinc/86/20/50/1068862050.db2.gz LGMXFNMISDTSJL-SFHVURJKSA-N 1 0 477.600 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCCNC(=O)C(C)C ZINC001300496517 1068864857 /nfs/dbraw/zinc/86/48/57/1068864857.db2.gz HAFZVAIIHHYYKT-QHCPKHFHSA-N 1 0 496.700 4.208 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001300505366 1068876511 /nfs/dbraw/zinc/87/65/11/1068876511.db2.gz FGNNSULYFODOAK-SANMLTNESA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300506882 1068880401 /nfs/dbraw/zinc/88/04/01/1068880401.db2.gz XDVNTLRWZMDZSD-NRFANRHFSA-N 1 0 494.606 4.149 20 0 JIADRO C=Cc1ccc(CCn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001359169598 1068880663 /nfs/dbraw/zinc/88/06/63/1068880663.db2.gz OBDBYQJRXFRTCJ-UHFFFAOYSA-N 1 0 464.658 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001300507246 1068881479 /nfs/dbraw/zinc/88/14/79/1068881479.db2.gz KKWHAWNMFVFOHE-NFBKMPQASA-N 1 0 455.647 4.325 20 0 JIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@H](C)C1 ZINC001354075693 1068882289 /nfs/dbraw/zinc/88/22/89/1068882289.db2.gz GIMXECAZFYVXPB-OXQOHEQNSA-N 1 0 459.432 4.316 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCN(C)CC(F)(F)F ZINC001300513786 1068894999 /nfs/dbraw/zinc/89/49/99/1068894999.db2.gz QFINCDYPQDMQDX-UHFFFAOYSA-N 1 0 482.595 4.006 20 0 JIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC001354116811 1068907493 /nfs/dbraw/zinc/90/74/93/1068907493.db2.gz IZJVEKNQIGBVQH-IERDGZPVSA-N 1 0 458.400 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001300520247 1068910898 /nfs/dbraw/zinc/91/08/98/1068910898.db2.gz YQNFKLAUYZVQGU-AREMUKBSSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300522251 1068916875 /nfs/dbraw/zinc/91/68/75/1068916875.db2.gz YPXKMKCEMWVCFG-PXNSSMCTSA-N 1 0 459.545 4.450 20 0 JIADRO O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001354134581 1068921209 /nfs/dbraw/zinc/92/12/09/1068921209.db2.gz VUCOKAWMBBICJW-UHFFFAOYSA-N 1 0 453.539 4.028 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+](C)C ZINC001300525747 1068927060 /nfs/dbraw/zinc/92/70/60/1068927060.db2.gz UOYVFWUCYDWDRT-JKSUJKDBSA-N 1 0 475.435 4.062 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300531129 1068942609 /nfs/dbraw/zinc/94/26/09/1068942609.db2.gz VRFZMRPDFJUQSV-NOMHHCBYSA-N 1 0 477.657 4.322 20 0 JIADRO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=S)Nc1ccc(F)c(Cl)c1)C2 ZINC001200587601 1068962998 /nfs/dbraw/zinc/96/29/98/1068962998.db2.gz YVGWRSQQPRGDIB-UHFFFAOYSA-N 1 0 477.989 4.356 20 0 JIADRO Cc1c(Br)cncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001354201221 1068972891 /nfs/dbraw/zinc/97/28/91/1068972891.db2.gz ZOOQEWRVDXQCJR-UHFFFAOYSA-N 1 0 457.294 4.175 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300541883 1068975244 /nfs/dbraw/zinc/97/52/44/1068975244.db2.gz HZLLTHVJLFODHB-UHFFFAOYSA-N 1 0 485.723 4.445 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)[C@H]1c1cccs1 ZINC001354209628 1068979772 /nfs/dbraw/zinc/97/97/72/1068979772.db2.gz IRVGNXTVPIAPDC-OSAQELSMSA-N 1 0 450.240 4.143 20 0 JIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@@H]1c1cccs1 ZINC001354210052 1068980618 /nfs/dbraw/zinc/98/06/18/1068980618.db2.gz NIUZRZJIODGNJD-ORAYPTAESA-N 1 0 450.395 4.449 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300546865 1068986349 /nfs/dbraw/zinc/98/63/49/1068986349.db2.gz GZFQRCRRGALDPM-GHTZIAJQSA-N 1 0 483.579 4.152 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001492586878 1069000918 /nfs/dbraw/zinc/00/09/18/1069000918.db2.gz XCTTWIXUIMIXGJ-UHFFFAOYSA-N 1 0 484.689 4.353 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H](C)[NH+](C)C ZINC001300551948 1069001745 /nfs/dbraw/zinc/00/17/45/1069001745.db2.gz MGRRXGNFYIFTAS-CQSZACIVSA-N 1 0 479.469 4.149 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492586491 1069003733 /nfs/dbraw/zinc/00/37/33/1069003733.db2.gz JFKGZFWJXNMMDE-JTHBVZDNSA-N 1 0 492.634 4.371 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492586625 1069004208 /nfs/dbraw/zinc/00/42/08/1069004208.db2.gz NVPUSVPDWIRHQE-RUZDIDTESA-N 1 0 496.700 4.212 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492586759 1069004870 /nfs/dbraw/zinc/00/48/70/1069004870.db2.gz RXXQZNQHWNSFMV-VXKWHMMOSA-N 1 0 492.634 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC(C)(C)C[NH+](C)C ZINC001300553592 1069006047 /nfs/dbraw/zinc/00/60/47/1069006047.db2.gz UVNMBGSKOWFZRY-UHFFFAOYSA-N 1 0 476.463 4.344 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001300557631 1069018248 /nfs/dbraw/zinc/01/82/48/1069018248.db2.gz NIBDHDVWPJGFHN-UHFFFAOYSA-N 1 0 488.558 4.306 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C(C)C ZINC001492571874 1069021604 /nfs/dbraw/zinc/02/16/04/1069021604.db2.gz LMUNVGFRDGZLSX-FNZWTVRRSA-N 1 0 468.646 4.087 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492571491 1069035848 /nfs/dbraw/zinc/03/58/48/1069035848.db2.gz AAZDKQNWBOZWKV-JTHBVZDNSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492589104 1069036931 /nfs/dbraw/zinc/03/69/31/1069036931.db2.gz XYGBOGAMMXJMCW-JWQCQUIFSA-N 1 0 469.674 4.070 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001492571613 1069039534 /nfs/dbraw/zinc/03/95/34/1069039534.db2.gz DNWZGTHUBBPMLU-KJXAQDMKSA-N 1 0 482.673 4.333 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300563123 1069039905 /nfs/dbraw/zinc/03/99/05/1069039905.db2.gz NAUUNECCRDVUSW-HOFKKMOUSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300563127 1069040119 /nfs/dbraw/zinc/04/01/19/1069040119.db2.gz NAUUNECCRDVUSW-WNCULLNHSA-N 1 0 469.674 4.393 20 0 JIADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1F ZINC001200614243 1069044578 /nfs/dbraw/zinc/04/45/78/1069044578.db2.gz JBDDXWDQIAEGHZ-UPVQGACJSA-N 1 0 454.567 4.171 20 0 JIADRO COc1cc(CN(C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486375 1069051970 /nfs/dbraw/zinc/05/19/70/1069051970.db2.gz KHLLNWDWPHBQCR-UIOOFZCWSA-N 1 0 490.648 4.480 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849485682 1069052745 /nfs/dbraw/zinc/05/27/45/1069052745.db2.gz YBLXYGTYDYWXAD-ZWKOTPCHSA-N 1 0 499.965 4.003 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486818 1069052838 /nfs/dbraw/zinc/05/28/38/1069052838.db2.gz BIXSOTCQUQQFEV-XZOQPEGZSA-N 1 0 483.410 4.436 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849488695 1069056738 /nfs/dbraw/zinc/05/67/38/1069056738.db2.gz IHQLGCPSVUQNHQ-LEWJYISDSA-N 1 0 452.580 4.153 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001300566894 1069059606 /nfs/dbraw/zinc/05/96/06/1069059606.db2.gz GDJZYBBJXCSANT-RCZVLFRGSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c1 ZINC000849493065 1069061447 /nfs/dbraw/zinc/06/14/47/1069061447.db2.gz ZROWSDHUBVINIS-ICSRJNTNSA-N 1 0 469.611 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493416 1069061683 /nfs/dbraw/zinc/06/16/83/1069061683.db2.gz WWOVERPFKLIAAE-WOJBJXKFSA-N 1 0 463.548 4.492 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493843 1069063777 /nfs/dbraw/zinc/06/37/77/1069063777.db2.gz MLVVQBYNCAUYQP-RTBURBONSA-N 1 0 456.641 4.017 20 0 JIADRO COc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849493799 1069064723 /nfs/dbraw/zinc/06/47/23/1069064723.db2.gz ZVCAEEHJVSXGRS-HZPDHXFCSA-N 1 0 469.811 4.297 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492573698 1069065074 /nfs/dbraw/zinc/06/50/74/1069065074.db2.gz AOOACWZWKAPFKA-GOTSBHOMSA-N 1 0 494.728 4.143 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849494737 1069065877 /nfs/dbraw/zinc/06/58/77/1069065877.db2.gz YLHSMDPIAXGKIM-MOPGFXCFSA-N 1 0 459.566 4.198 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494613 1069066815 /nfs/dbraw/zinc/06/68/15/1069066815.db2.gz WQXDYJRTUWUDOO-OALUTQOASA-N 1 0 486.498 4.104 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849499628 1069071434 /nfs/dbraw/zinc/07/14/34/1069071434.db2.gz NEFQQCPJRKMSRM-FCHUYYIVSA-N 1 0 463.582 4.377 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501895 1069074724 /nfs/dbraw/zinc/07/47/24/1069074724.db2.gz XWCIYHZHCLBBJL-XZZVZQAVSA-N 1 0 461.610 4.085 20 0 JIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849501755 1069075609 /nfs/dbraw/zinc/07/56/09/1069075609.db2.gz AHTQDVCXVJSIJP-IKVMQTKTSA-N 1 0 479.669 4.299 20 0 JIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849502670 1069078636 /nfs/dbraw/zinc/07/86/36/1069078636.db2.gz DMVJAVOSKPEYOK-TZIWHRDSSA-N 1 0 474.049 4.445 20 0 JIADRO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849503464 1069079554 /nfs/dbraw/zinc/07/95/54/1069079554.db2.gz YAVPFBUUIYPRAG-ZONZVBGPSA-N 1 0 494.680 4.210 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504346 1069080407 /nfs/dbraw/zinc/08/04/07/1069080407.db2.gz OKEWZYSBCSRORI-SXOMAYOGSA-N 1 0 476.621 4.468 20 0 JIADRO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503873 1069083387 /nfs/dbraw/zinc/08/33/87/1069083387.db2.gz MDBKZBNKSKGBHX-SVBPBHIXSA-N 1 0 487.648 4.468 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507390 1069087843 /nfs/dbraw/zinc/08/78/43/1069087843.db2.gz ZGPOMRSSFTWRTM-DHIUTWEWSA-N 1 0 462.560 4.346 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849508129 1069088967 /nfs/dbraw/zinc/08/89/67/1069088967.db2.gz HCEQUDRALAIPKB-PMACEKPBSA-N 1 0 452.530 4.343 20 0 JIADRO Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510084 1069091809 /nfs/dbraw/zinc/09/18/09/1069091809.db2.gz GUVTXQLGTHESCL-RPBOFIJWSA-N 1 0 487.648 4.154 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510154 1069091878 /nfs/dbraw/zinc/09/18/78/1069091878.db2.gz OJPAOEQBEPIHLX-TWJOJJKGSA-N 1 0 464.585 4.288 20 0 JIADRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849509597 1069092591 /nfs/dbraw/zinc/09/25/91/1069092591.db2.gz ZWWFDJXYKHIOQN-MOPGFXCFSA-N 1 0 468.627 4.221 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001300574402 1069093947 /nfs/dbraw/zinc/09/39/47/1069093947.db2.gz WYJAOQYOXTTWGC-JOCHJYFZSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511025 1069094448 /nfs/dbraw/zinc/09/44/48/1069094448.db2.gz WRZLRSOEPDUMEG-DQEYMECFSA-N 1 0 452.643 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510562 1069095602 /nfs/dbraw/zinc/09/56/02/1069095602.db2.gz RWTQRHJGLPUERD-NHCUHLMSSA-N 1 0 459.432 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513219 1069097419 /nfs/dbraw/zinc/09/74/19/1069097419.db2.gz QYDJTHUOBYWPFQ-RPWUZVMVSA-N 1 0 456.594 4.271 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515391 1069099109 /nfs/dbraw/zinc/09/91/09/1069099109.db2.gz GEQRPXUTQCILPC-SJORKVTESA-N 1 0 480.922 4.260 20 0 JIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849515730 1069101758 /nfs/dbraw/zinc/10/17/58/1069101758.db2.gz MRGYAFFPUIGBPJ-NHCUHLMSSA-N 1 0 450.612 4.122 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518313 1069104776 /nfs/dbraw/zinc/10/47/76/1069104776.db2.gz NNOLDPJDCAHJPR-UNMCSNQZSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518067 1069105963 /nfs/dbraw/zinc/10/59/63/1069105963.db2.gz NFTOOACCYVOWHQ-VQTJNVASSA-N 1 0 462.063 4.079 20 0 JIADRO COc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517869 1069107007 /nfs/dbraw/zinc/10/70/07/1069107007.db2.gz PMOJTXORLKZMIF-ISKFKSNPSA-N 1 0 484.604 4.264 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517757 1069107261 /nfs/dbraw/zinc/10/72/61/1069107261.db2.gz VANWFBBMHDHOHJ-FCHUYYIVSA-N 1 0 473.459 4.280 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCCC3)s2)c1 ZINC000504187571 1069108595 /nfs/dbraw/zinc/10/85/95/1069108595.db2.gz GBGZJTZGWDZTFF-NRFANRHFSA-N 1 0 481.622 4.495 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520618 1069113255 /nfs/dbraw/zinc/11/32/55/1069113255.db2.gz XRLJWKHLXZVURF-UXHICEINSA-N 1 0 470.371 4.044 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520484 1069113430 /nfs/dbraw/zinc/11/34/30/1069113430.db2.gz NHKUYKBXJGDPRR-DHIUTWEWSA-N 1 0 477.584 4.193 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849522065 1069114106 /nfs/dbraw/zinc/11/41/06/1069114106.db2.gz WXVJYLBXTYHYJS-DQEYMECFSA-N 1 0 450.627 4.140 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849522377 1069114311 /nfs/dbraw/zinc/11/43/11/1069114311.db2.gz KUIPOBDMMFKVFQ-ZRRKCSAHSA-N 1 0 472.633 4.465 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521439 1069114373 /nfs/dbraw/zinc/11/43/73/1069114373.db2.gz SOMROHCMPBGTAE-PQNGQFLHSA-N 1 0 497.437 4.132 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849522072 1069115095 /nfs/dbraw/zinc/11/50/95/1069115095.db2.gz JGQDFEUQUYFTGN-RPWUZVMVSA-N 1 0 460.578 4.196 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001300580990 1069116583 /nfs/dbraw/zinc/11/65/83/1069116583.db2.gz WLANDGUOMNSILC-BGYRXZFFSA-N 1 0 461.601 4.481 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524533 1069118800 /nfs/dbraw/zinc/11/88/00/1069118800.db2.gz ISPITRXDIHPYMV-VWNXMTODSA-N 1 0 477.653 4.344 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524909 1069119133 /nfs/dbraw/zinc/11/91/33/1069119133.db2.gz KWPYEXYZVFEZRA-XZOQPEGZSA-N 1 0 499.537 4.043 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525782 1069122366 /nfs/dbraw/zinc/12/23/66/1069122366.db2.gz OOTDFLHZUKJTTH-XZOQPEGZSA-N 1 0 478.666 4.159 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300583012 1069125520 /nfs/dbraw/zinc/12/55/20/1069125520.db2.gz MXVCDFHHRXUTEO-LEWJYISDSA-N 1 0 450.631 4.092 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300583250 1069126283 /nfs/dbraw/zinc/12/62/83/1069126283.db2.gz UQBMRMLJPMXKLS-QFIPXVFZSA-N 1 0 499.059 4.038 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300583831 1069126908 /nfs/dbraw/zinc/12/69/08/1069126908.db2.gz YTAKFLBDQMPLKO-IBGZPJMESA-N 1 0 469.033 4.413 20 0 JIADRO CCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527950 1069127608 /nfs/dbraw/zinc/12/76/08/1069127608.db2.gz XXCGDVMRWMCEGE-GZGNHOFSSA-N 1 0 467.564 4.157 20 0 JIADRO C[C@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000504227481 1069146111 /nfs/dbraw/zinc/14/61/11/1069146111.db2.gz HCXFZKIDISSERH-HNNXBMFYSA-N 1 0 472.565 4.042 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849535250 1069148252 /nfs/dbraw/zinc/14/82/52/1069148252.db2.gz OJWPCPVJYODWFO-RPBOFIJWSA-N 1 0 486.682 4.120 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300594684 1069167245 /nfs/dbraw/zinc/16/72/45/1069167245.db2.gz JOOYKABRAMZAEB-UXHICEINSA-N 1 0 455.628 4.182 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543157 1069175290 /nfs/dbraw/zinc/17/52/90/1069175290.db2.gz LISPMQNYPPCNJA-KBPBESRZSA-N 1 0 466.430 4.042 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543159 1069175354 /nfs/dbraw/zinc/17/53/54/1069175354.db2.gz LISPMQNYPPCNJA-UONOGXRCSA-N 1 0 466.430 4.042 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c4cc(Br)ccc34)CC2)c1 ZINC001300597240 1069176394 /nfs/dbraw/zinc/17/63/94/1069176394.db2.gz ZLJYELIFPJXRNS-UHFFFAOYSA-N 1 0 456.384 4.262 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c4ccc(Br)cc34)CC2)c1 ZINC001300597055 1069176599 /nfs/dbraw/zinc/17/65/99/1069176599.db2.gz RYOHQQOGCFATSG-UHFFFAOYSA-N 1 0 456.384 4.262 20 0 JIADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1C ZINC000849546960 1069184808 /nfs/dbraw/zinc/18/48/08/1069184808.db2.gz CHXWVVOGUMEBMC-ROUUACIJSA-N 1 0 461.397 4.203 20 0 JIADRO CCCCOCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548253 1069186172 /nfs/dbraw/zinc/18/61/72/1069186172.db2.gz LNLTWOKEZDEANM-YADHBBJMSA-N 1 0 477.447 4.068 20 0 JIADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cc4cc(C)c(C)cc4o3)CC2)cc1OC ZINC001200655117 1069188434 /nfs/dbraw/zinc/18/84/34/1069188434.db2.gz UARYHJNXCOCONQ-UHFFFAOYSA-N 1 0 458.580 4.010 20 0 JIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849550076 1069189808 /nfs/dbraw/zinc/18/98/08/1069189808.db2.gz BKERQMMFZPPEGE-RTWAWAEBSA-N 1 0 460.557 4.095 20 0 JIADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550534 1069192218 /nfs/dbraw/zinc/19/22/18/1069192218.db2.gz ZGGNWKCVCZTTKH-LEWJYISDSA-N 1 0 473.499 4.325 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849553347 1069194555 /nfs/dbraw/zinc/19/45/55/1069194555.db2.gz IYBNWGJHYWNTDS-WOJBJXKFSA-N 1 0 460.557 4.351 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555256 1069199272 /nfs/dbraw/zinc/19/92/72/1069199272.db2.gz QNTNMEIHIISREW-YADHBBJMSA-N 1 0 462.560 4.493 20 0 JIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849555291 1069199812 /nfs/dbraw/zinc/19/98/12/1069199812.db2.gz YJHCDVAQQYOWSQ-NYVOZVTQSA-N 1 0 451.640 4.415 20 0 JIADRO COc1cccc(C(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557834 1069204435 /nfs/dbraw/zinc/20/44/35/1069204435.db2.gz KAZOHRCKWMRVJY-IZZNHLLZSA-N 1 0 476.621 4.157 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562073 1069211185 /nfs/dbraw/zinc/21/11/85/1069211185.db2.gz JCUVFWZOKBNRLE-ZWKOTPCHSA-N 1 0 474.428 4.289 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561740 1069211427 /nfs/dbraw/zinc/21/14/27/1069211427.db2.gz KVDACUYOYUYLPC-GOTSBHOMSA-N 1 0 471.527 4.098 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213200 /nfs/dbraw/zinc/21/32/00/1069213200.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 0 469.593 4.325 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300610308 1069213585 /nfs/dbraw/zinc/21/35/85/1069213585.db2.gz MTCXJNAPHKVKNX-ZEQRLZLVSA-N 1 0 482.717 4.490 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300610372 1069214282 /nfs/dbraw/zinc/21/42/82/1069214282.db2.gz NURLMZUVNYAHFA-QFIPXVFZSA-N 1 0 468.690 4.243 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564627 1069215159 /nfs/dbraw/zinc/21/51/59/1069215159.db2.gz VUZYQWAIBYCOGS-ZRBLBEILSA-N 1 0 485.401 4.263 20 0 JIADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566049 1069216963 /nfs/dbraw/zinc/21/69/63/1069216963.db2.gz YFCRTDFYOSFIHB-JVPBZIDWSA-N 1 0 488.455 4.219 20 0 JIADRO COc1ccccc1CSc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849565957 1069217119 /nfs/dbraw/zinc/21/71/19/1069217119.db2.gz XQFULCKSKZXYRU-NHCUHLMSSA-N 1 0 450.608 4.395 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300610870 1069217106 /nfs/dbraw/zinc/21/71/06/1069217106.db2.gz UXXISMWITGGVMX-QFIPXVFZSA-N 1 0 468.690 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849568882 1069220307 /nfs/dbraw/zinc/22/03/07/1069220307.db2.gz QKPCMHGMOSPTQI-LOSJGSFVSA-N 1 0 457.622 4.287 20 0 JIADRO Cc1cc(CN(CC(C)C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc(N2CCCCC2)n1 ZINC000849569059 1069221140 /nfs/dbraw/zinc/22/11/40/1069221140.db2.gz RFZNIDQYHWMZAK-UIOOFZCWSA-N 1 0 495.716 4.008 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCC2 ZINC000849570155 1069221165 /nfs/dbraw/zinc/22/11/65/1069221165.db2.gz ZSNNXEXVDFHDHP-WOJBJXKFSA-N 1 0 459.432 4.284 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000849570793 1069222887 /nfs/dbraw/zinc/22/28/87/1069222887.db2.gz DHPMBNYCPLSUIC-QVGHQYEOSA-N 1 0 468.642 4.080 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572466 1069223179 /nfs/dbraw/zinc/22/31/79/1069223179.db2.gz MWFLOHVBPFSIAP-MOPGFXCFSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849573153 1069224427 /nfs/dbraw/zinc/22/44/27/1069224427.db2.gz PLGWZYIYKIZAJL-XZOQPEGZSA-N 1 0 489.458 4.067 20 0 JIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849572701 1069224559 /nfs/dbraw/zinc/22/45/59/1069224559.db2.gz PDYMNUALYWCWGO-XZOQPEGZSA-N 1 0 462.642 4.010 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849578239 1069229339 /nfs/dbraw/zinc/22/93/39/1069229339.db2.gz LAWBMVJIFLUMAP-MSOLQXFVSA-N 1 0 479.850 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849575999 1069229378 /nfs/dbraw/zinc/22/93/78/1069229378.db2.gz BXGLHRQDGNDYOT-BDTNDASRSA-N 1 0 477.422 4.499 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001300616296 1069230830 /nfs/dbraw/zinc/23/08/30/1069230830.db2.gz UGVGBBQOIYGMEY-CUNXSJBXSA-N 1 0 468.690 4.322 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579614 1069231384 /nfs/dbraw/zinc/23/13/84/1069231384.db2.gz XQWOWMHFZCSYFH-HBMCJLEFSA-N 1 0 463.395 4.015 20 0 JIADRO CCCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580947 1069232291 /nfs/dbraw/zinc/23/22/91/1069232291.db2.gz CZMKKGYOYQBHNL-YADHBBJMSA-N 1 0 452.578 4.150 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581076 1069232320 /nfs/dbraw/zinc/23/23/20/1069232320.db2.gz DQAQXEPQDJTXMI-ZEQRLZLVSA-N 1 0 462.594 4.460 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849580642 1069232340 /nfs/dbraw/zinc/23/23/40/1069232340.db2.gz CDMJTLPFIOROHK-FCEWJHQRSA-N 1 0 460.903 4.446 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849581150 1069232373 /nfs/dbraw/zinc/23/23/73/1069232373.db2.gz FLQPKBGHQQLOHE-NHCUHLMSSA-N 1 0 450.549 4.347 20 0 JIADRO CCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581600 1069233200 /nfs/dbraw/zinc/23/32/00/1069233200.db2.gz IAQQMOWKJNKTAE-RBUKOAKNSA-N 1 0 455.006 4.274 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582703 1069233863 /nfs/dbraw/zinc/23/38/63/1069233863.db2.gz ONGVHUZBZUVVPK-RTWAWAEBSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849584518 1069234973 /nfs/dbraw/zinc/23/49/73/1069234973.db2.gz XOXBDYDMMPOTHJ-IEZWGBDMSA-N 1 0 451.398 4.181 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586148 1069236113 /nfs/dbraw/zinc/23/61/13/1069236113.db2.gz GIYCEDOVTRBFGR-DHIUTWEWSA-N 1 0 473.459 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849587996 1069238974 /nfs/dbraw/zinc/23/89/74/1069238974.db2.gz KIRZODHFNVEGOQ-RBUKOAKNSA-N 1 0 455.509 4.338 20 0 JIADRO COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588080 1069239805 /nfs/dbraw/zinc/23/98/05/1069239805.db2.gz PIOAOEUVIPNJBA-DQEYMECFSA-N 1 0 468.642 4.080 20 0 JIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(I)ccc1F ZINC001354466251 1069240393 /nfs/dbraw/zinc/24/03/93/1069240393.db2.gz PWPJELDHRFLRST-INIZCTEOSA-N 1 0 452.311 4.024 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Br)ncc1Cl ZINC001354466312 1069241042 /nfs/dbraw/zinc/24/10/42/1069241042.db2.gz BUKWQGIIUNHRIR-UHFFFAOYSA-N 1 0 450.768 4.441 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1 ZINC000849590217 1069241025 /nfs/dbraw/zinc/24/10/25/1069241025.db2.gz XUNFKLLXKXBOLR-VQTJNVASSA-N 1 0 495.546 4.138 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849588674 1069241174 /nfs/dbraw/zinc/24/11/74/1069241174.db2.gz MXMWVPHHYYMNSO-WBVHZDCISA-N 1 0 462.982 4.184 20 0 JIADRO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589751 1069241931 /nfs/dbraw/zinc/24/19/31/1069241931.db2.gz ZHWJHIIFKPUVDZ-LEWJYISDSA-N 1 0 472.593 4.425 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590250 1069242077 /nfs/dbraw/zinc/24/20/77/1069242077.db2.gz XYGDPHJDFDPCSC-XZOQPEGZSA-N 1 0 488.474 4.100 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC001492576312 1069242437 /nfs/dbraw/zinc/24/24/37/1069242437.db2.gz OAPMTAAJYIMHCT-HRFSGMKKSA-N 1 0 463.674 4.366 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@H](c2cnn(C)c2)C1 ZINC000849590545 1069242882 /nfs/dbraw/zinc/24/28/82/1069242882.db2.gz BSLTWFGLWPSUFD-OALUTQOASA-N 1 0 463.598 4.050 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849592225 1069243468 /nfs/dbraw/zinc/24/34/68/1069243468.db2.gz NSRJLKYCNLGCCP-ROUUACIJSA-N 1 0 494.543 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849591506 1069243552 /nfs/dbraw/zinc/24/35/52/1069243552.db2.gz JQFYJLIIYZCNCU-SFTDATJTSA-N 1 0 458.031 4.327 20 0 JIADRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849593089 1069245460 /nfs/dbraw/zinc/24/54/60/1069245460.db2.gz AXYKLDKIPIIHJX-PKTZIBPZSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849594597 1069248068 /nfs/dbraw/zinc/24/80/68/1069248068.db2.gz FJEDAKRAWFNNMX-PKTZIBPZSA-N 1 0 458.050 4.015 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849595700 1069250890 /nfs/dbraw/zinc/25/08/90/1069250890.db2.gz IRBJELHEIRENDY-RRQGHBQHSA-N 1 0 457.928 4.179 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000849597489 1069251030 /nfs/dbraw/zinc/25/10/30/1069251030.db2.gz SVTXPLLCDCOVAA-WVQWTBLQSA-N 1 0 468.642 4.079 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000849597486 1069251181 /nfs/dbraw/zinc/25/11/81/1069251181.db2.gz SVTXPLLCDCOVAA-OWAUWMPXSA-N 1 0 468.642 4.079 20 0 JIADRO O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001300624044 1069253679 /nfs/dbraw/zinc/25/36/79/1069253679.db2.gz BRFCQHOFCDFCMS-UHFFFAOYSA-N 1 0 457.014 4.469 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849597909 1069253704 /nfs/dbraw/zinc/25/37/04/1069253704.db2.gz WSVADFQDCATJIE-WOJBJXKFSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849604591 1069261587 /nfs/dbraw/zinc/26/15/87/1069261587.db2.gz DHSAHHZBMOVFMJ-VXKWHMMOSA-N 1 0 478.559 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607361 1069263236 /nfs/dbraw/zinc/26/32/36/1069263236.db2.gz VCNGJDVAOUKPDE-FTJBHMTQSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@H](c2cnn(C)c2)C1 ZINC000849608328 1069264685 /nfs/dbraw/zinc/26/46/85/1069264685.db2.gz OJPWKBMAXOSUDJ-GJZGRUSLSA-N 1 0 477.432 4.087 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300628179 1069267104 /nfs/dbraw/zinc/26/71/04/1069267104.db2.gz UAQFZSQFDWFIFP-SFHVURJKSA-N 1 0 471.005 4.035 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849609961 1069267713 /nfs/dbraw/zinc/26/77/13/1069267713.db2.gz FVGAKMSOSVKBJT-GNLZIIPMSA-N 1 0 489.705 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612258 1069271913 /nfs/dbraw/zinc/27/19/13/1069271913.db2.gz JIMQJJMOFXVMSD-WMZOPIPTSA-N 1 0 472.387 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849610724 1069272214 /nfs/dbraw/zinc/27/22/14/1069272214.db2.gz NHUDQGJDEGZPHE-MOPGFXCFSA-N 1 0 459.432 4.321 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611571 1069273522 /nfs/dbraw/zinc/27/35/22/1069273522.db2.gz CPACHQZSULSDSP-DLBZAZTESA-N 1 0 480.922 4.167 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@H]2CC=CCC2)n1CC[NH+]1CCC(C)CC1 ZINC001300630747 1069277477 /nfs/dbraw/zinc/27/74/77/1069277477.db2.gz JQNSHJOAGPYYRH-QFIPXVFZSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300640254 1069305571 /nfs/dbraw/zinc/30/55/71/1069305571.db2.gz VCUYYPZSCMGOTE-NNMXDRDESA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300640587 1069306479 /nfs/dbraw/zinc/30/64/79/1069306479.db2.gz PZMRVQHFVZAZBT-RTBURBONSA-N 1 0 459.660 4.070 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300640585 1069306656 /nfs/dbraw/zinc/30/66/56/1069306656.db2.gz PZMRVQHFVZAZBT-KDURUIRLSA-N 1 0 459.660 4.070 20 0 JIADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164409869 718865790 /nfs/dbraw/zinc/86/57/90/718865790.db2.gz VCIHZGRJPZSHNB-GUYCJALGSA-N 1 0 462.850 4.175 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423350 718939846 /nfs/dbraw/zinc/93/98/46/718939846.db2.gz IDPYHITVRICTEZ-WOJBJXKFSA-N 1 0 470.907 4.108 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614423 719010575 /nfs/dbraw/zinc/01/05/75/719010575.db2.gz FGFKJUVTYAROMX-NFQMXDRXSA-N 1 0 497.709 4.053 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164617532 719010659 /nfs/dbraw/zinc/01/06/59/719010659.db2.gz OLSQKMRPIZDUGZ-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617833 719017843 /nfs/dbraw/zinc/01/78/43/719017843.db2.gz QDGQEDDUIKQNPY-NZSAHSFTSA-N 1 0 497.690 4.136 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164613995 719019525 /nfs/dbraw/zinc/01/95/25/719019525.db2.gz BHIICELOVABLFF-ZTFRIQLXSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617051 719031440 /nfs/dbraw/zinc/03/14/40/719031440.db2.gz FZQPOAWGOCKJJK-UHFFFAOYSA-N 1 0 474.001 4.309 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625943 719123015 /nfs/dbraw/zinc/12/30/15/719123015.db2.gz ZSDBXKCCCMKPLH-AOIWGVFYSA-N 1 0 457.663 4.315 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164664915 719356083 /nfs/dbraw/zinc/35/60/83/719356083.db2.gz SBMQZFXIZGMYQK-UHFFFAOYSA-N 1 0 456.638 4.372 20 0 JIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679944 719656149 /nfs/dbraw/zinc/65/61/49/719656149.db2.gz AZDLMALZMWYPIE-LJQANCHMSA-N 1 0 499.055 4.005 20 0 JIADRO CCOC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164680754 719658481 /nfs/dbraw/zinc/65/84/81/719658481.db2.gz IQRHNEMQMQSSDN-IBGZPJMESA-N 1 0 499.055 4.005 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4c(Cl)ccnc43)CC2)c2ccccc21 ZINC001164681431 719660369 /nfs/dbraw/zinc/66/03/69/719660369.db2.gz OQLOGKAHGZZTTB-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3CCCC4)CC2)c2ccccc21 ZINC001164679987 719661692 /nfs/dbraw/zinc/66/16/92/719661692.db2.gz BUBHBIPDGDUHEE-IBGZPJMESA-N 1 0 482.072 4.102 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(Oc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680986 719663047 /nfs/dbraw/zinc/66/30/47/719663047.db2.gz KQIJCGLPGBNKBE-QFIPXVFZSA-N 1 0 485.632 4.362 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4nccc(Cl)c4cn3)CC2)c2ccccc21 ZINC001164680868 719666674 /nfs/dbraw/zinc/66/66/74/719666674.db2.gz IFUYZSMKOZJNHG-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686010 719671324 /nfs/dbraw/zinc/67/13/24/719671324.db2.gz WKFUZDXTGDZHFI-LJQANCHMSA-N 1 0 471.045 4.227 20 0 JIADRO COc1ccc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2c1 ZINC001164681229 719674557 /nfs/dbraw/zinc/67/45/57/719674557.db2.gz KSOLICJHLPKTFK-HSZRJFAPSA-N 1 0 472.633 4.337 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)cc1 ZINC001164681948 719677361 /nfs/dbraw/zinc/67/73/61/719677361.db2.gz OMBGLGJOIHPPIP-QHCPKHFHSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccccc4F)nn3)CC2)c2ccccc21 ZINC001164681560 719679216 /nfs/dbraw/zinc/67/92/16/719679216.db2.gz MUOOTRRTWHFQMI-OAQYLSRUSA-N 1 0 487.623 4.376 20 0 JIADRO CC(C)c1c(Cl)ncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685538 719681701 /nfs/dbraw/zinc/68/17/01/719681701.db2.gz LDQPPYFNFDAOKV-IBGZPJMESA-N 1 0 470.061 4.347 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(-c4ccc(F)cc4)n3)CC2)c2ccccc21 ZINC001164684214 719682560 /nfs/dbraw/zinc/68/25/60/719682560.db2.gz HTYUOQAVSIMRQC-JOCHJYFZSA-N 1 0 487.623 4.376 20 0 JIADRO CCCSc1ncnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1OC ZINC001164684137 719683074 /nfs/dbraw/zinc/68/30/74/719683074.db2.gz HEXYZBANZAFRFQ-FQEVSTJZSA-N 1 0 497.709 4.081 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(-c4ccc(F)cc4)n3)CC2)c2ccccc21 ZINC001164684223 719683443 /nfs/dbraw/zinc/68/34/43/719683443.db2.gz HTYUOQAVSIMRQC-QFIPXVFZSA-N 1 0 487.623 4.376 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2ccn4COC(=O)C(C)(C)C)CC3)cs1 ZINC001164694329 719808844 /nfs/dbraw/zinc/80/88/44/719808844.db2.gz VGIMQUNYNIMCNH-UHFFFAOYSA-N 1 0 482.654 4.378 20 0 JIADRO CCOC(=O)c1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164692948 719811107 /nfs/dbraw/zinc/81/11/07/719811107.db2.gz SNPBRRCONIJQDL-UHFFFAOYSA-N 1 0 457.625 4.268 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cs1 ZINC001164691534 719814373 /nfs/dbraw/zinc/81/43/73/719814373.db2.gz GISFDAZFISITHP-HXUWFJFHSA-N 1 0 475.968 4.335 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)ncn2)CC3)cs1 ZINC001164693743 719814996 /nfs/dbraw/zinc/81/49/96/719814996.db2.gz YLWCSWOSYLWFIC-UHFFFAOYSA-N 1 0 489.693 4.203 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694659 719889927 /nfs/dbraw/zinc/88/99/27/719889927.db2.gz BWRXYBLCHIFAIM-UHFFFAOYSA-N 1 0 450.004 4.153 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164709707 720099705 /nfs/dbraw/zinc/09/97/05/720099705.db2.gz CKRYFKINBDKZSC-LJQANCHMSA-N 1 0 455.965 4.325 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164719457 720108751 /nfs/dbraw/zinc/10/87/51/720108751.db2.gz XEIMYQYVEZCXJL-HXUWFJFHSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(OC)c(OC)cc31)CC2 ZINC001164714923 720110347 /nfs/dbraw/zinc/11/03/47/720110347.db2.gz FKPNISHQCZDCIL-IBGZPJMESA-N 1 0 498.027 4.203 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815936 720111186 /nfs/dbraw/zinc/11/11/86/720111186.db2.gz XPWXRAQIQWGRCP-YCRPNKLZSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164714894 720116816 /nfs/dbraw/zinc/11/68/16/720116816.db2.gz DJQNPYMHAIXKSC-HXUWFJFHSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164718615 720126543 /nfs/dbraw/zinc/12/65/43/720126543.db2.gz TYGUERPNESJTTD-IBGZPJMESA-N 1 0 465.976 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164713532 720130948 /nfs/dbraw/zinc/13/09/48/720130948.db2.gz RKMLPARXRPFPIE-HXUWFJFHSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164712199 720141462 /nfs/dbraw/zinc/14/14/62/720141462.db2.gz KWCXHGXCMZLPMK-VWLOTQADSA-N 1 0 497.643 4.187 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164713967 720142999 /nfs/dbraw/zinc/14/29/99/720142999.db2.gz UNYFSWIIAHXGSJ-HSZRJFAPSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164713565 720154802 /nfs/dbraw/zinc/15/48/02/720154802.db2.gz SBHJKDVSCCVTGK-DEOSSOPVSA-N 1 0 461.585 4.494 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818514 720170501 /nfs/dbraw/zinc/17/05/01/720170501.db2.gz SYYQMTWWNMCGRA-LVXARBLLSA-N 1 0 471.715 4.335 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814335 720184681 /nfs/dbraw/zinc/18/46/81/720184681.db2.gz FUEORNBIHMUDQF-NTKDMRAZSA-N 1 0 451.596 4.045 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819788 720191364 /nfs/dbraw/zinc/19/13/64/720191364.db2.gz YEPQEHZZYBWGNL-KDOFPFPSSA-N 1 0 453.883 4.483 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4cccs4)c31)CCC2 ZINC001164814687 720217971 /nfs/dbraw/zinc/21/79/71/720217971.db2.gz UZNAURGVUMMYLW-UHFFFAOYSA-N 1 0 466.636 4.227 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)CCC2 ZINC001164814743 720226824 /nfs/dbraw/zinc/22/68/24/720226824.db2.gz XULSBXWWQZYQHX-UHFFFAOYSA-N 1 0 461.944 4.240 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cccc3c(Cl)nccc31)CCC2 ZINC001164813909 720230136 /nfs/dbraw/zinc/23/01/36/720230136.db2.gz RPLXCKUASNJJML-UHFFFAOYSA-N 1 0 461.944 4.240 20 0 JIADRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164817657 720243842 /nfs/dbraw/zinc/24/38/42/720243842.db2.gz RXTLAFDEWYWITM-UHFFFAOYSA-N 1 0 481.044 4.145 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001164826642 720307100 /nfs/dbraw/zinc/30/71/00/720307100.db2.gz WCCZQGITHRCGNG-VXKWHMMOSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001164820581 720311944 /nfs/dbraw/zinc/31/19/44/720311944.db2.gz HPJDXYGVWNQPFH-RPBOFIJWSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164828950 720324978 /nfs/dbraw/zinc/32/49/78/720324978.db2.gz KRKLAHWKCMFGEO-WOJBJXKFSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164828976 720327283 /nfs/dbraw/zinc/32/72/83/720327283.db2.gz KYNRQGYDEVKZKH-WOJBJXKFSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001164828496 720331546 /nfs/dbraw/zinc/33/15/46/720331546.db2.gz JWMMGXWOIJDYME-UIOOFZCWSA-N 1 0 490.648 4.096 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164828340 720337911 /nfs/dbraw/zinc/33/79/11/720337911.db2.gz OGXXEDOVDRJQKO-DQEYMECFSA-N 1 0 491.586 4.487 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164825169 720339233 /nfs/dbraw/zinc/33/92/33/720339233.db2.gz ISMDRXNEIFJTSP-VXKWHMMOSA-N 1 0 490.677 4.282 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164825011 720340144 /nfs/dbraw/zinc/34/01/44/720340144.db2.gz ILVUXKUBGNSQEB-XZOQPEGZSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001164828327 720347933 /nfs/dbraw/zinc/34/79/33/720347933.db2.gz OGSFWVDPUKGQJB-KAYWLYCHSA-N 1 0 488.680 4.045 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001164821770 720356121 /nfs/dbraw/zinc/35/61/21/720356121.db2.gz BWACNPGCDURORL-PMACEKPBSA-N 1 0 452.977 4.069 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164838475 720518307 /nfs/dbraw/zinc/51/83/07/720518307.db2.gz RIOVFRFOGFVMFZ-MMOPVJDHSA-N 1 0 460.960 4.402 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164733335 720524705 /nfs/dbraw/zinc/52/47/05/720524705.db2.gz JCGMRCFGDRIAGN-UXHICEINSA-N 1 0 493.725 4.197 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)C1 ZINC001164734866 720528392 /nfs/dbraw/zinc/52/83/92/720528392.db2.gz SLLAPVLBKIWFSN-SFHVURJKSA-N 1 0 461.944 4.253 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]21 ZINC001164834657 720535752 /nfs/dbraw/zinc/53/57/52/720535752.db2.gz FOICHAZWSFZKBO-MMOPVJDHSA-N 1 0 460.960 4.402 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164736296 720581667 /nfs/dbraw/zinc/58/16/67/720581667.db2.gz HGGZHJXMZUVFJM-UHFFFAOYSA-N 1 0 479.698 4.149 20 0 JIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164838277 720593881 /nfs/dbraw/zinc/59/38/81/720593881.db2.gz KNWAKXSJCPNGET-RMTZWNOUSA-N 1 0 473.621 4.418 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841270 720603481 /nfs/dbraw/zinc/60/34/81/720603481.db2.gz RUGCVEGTPWFZGV-TYBLODHISA-N 1 0 453.594 4.266 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841851 720680665 /nfs/dbraw/zinc/68/06/65/720680665.db2.gz JMCLDYJLPYGNIF-HXUWFJFHSA-N 1 0 458.002 4.480 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164844480 720689454 /nfs/dbraw/zinc/68/94/54/720689454.db2.gz SHQYKABYKKXLLF-NHCUHLMSSA-N 1 0 497.043 4.439 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164845316 720700055 /nfs/dbraw/zinc/70/00/55/720700055.db2.gz YCVVLCRSLWPVGA-GOSISDBHSA-N 1 0 473.955 4.483 20 0 JIADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838872 720705099 /nfs/dbraw/zinc/70/50/99/720705099.db2.gz JLDCZSUYZHSLND-UPWIVDSGSA-N 1 0 460.578 4.009 20 0 JIADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164737460 720779926 /nfs/dbraw/zinc/77/99/26/720779926.db2.gz BTODHSZFQGOKBE-VQTJNVASSA-N 1 0 456.575 4.004 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746074 720819721 /nfs/dbraw/zinc/81/97/21/720819721.db2.gz XWLOWVFZDDWIBI-QNWVGRARSA-N 1 0 471.634 4.329 20 0 JIADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746174 720824347 /nfs/dbraw/zinc/82/43/47/720824347.db2.gz YCLLKGZFGMXCHL-RCZSKKKRSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748771 720835523 /nfs/dbraw/zinc/83/55/23/720835523.db2.gz UVONLLZUNYFRJN-SFHLNBCPSA-N 1 0 472.971 4.404 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740574 720846325 /nfs/dbraw/zinc/84/63/25/720846325.db2.gz CVEDZCUVUYRQLG-XQBPLPMBSA-N 1 0 495.027 4.036 20 0 JIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739511 720850445 /nfs/dbraw/zinc/85/04/45/720850445.db2.gz ATZGSPJJWFZNTR-BHIFYINESA-N 1 0 464.017 4.076 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752501 720853030 /nfs/dbraw/zinc/85/30/30/720853030.db2.gz SSMGAKOOHGZFHB-YZUZCNPQSA-N 1 0 478.044 4.385 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164858307 720876667 /nfs/dbraw/zinc/87/66/67/720876667.db2.gz KRWFAKQBCNTUIF-AEFFLSMTSA-N 1 0 470.664 4.082 20 0 JIADRO CSc1ncc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755492 720877039 /nfs/dbraw/zinc/87/70/39/720877039.db2.gz XXKIPMWLOSJKQT-CVDCTZTESA-N 1 0 460.047 4.002 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756518 720882556 /nfs/dbraw/zinc/88/25/56/720882556.db2.gz PWUIPNOPWUAHIW-WXVAWEFUSA-N 1 0 499.055 4.370 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755049 720883016 /nfs/dbraw/zinc/88/30/16/720883016.db2.gz KLDMUOHGAGNSTL-AJTFRIOCSA-N 1 0 499.055 4.370 20 0 JIADRO Clc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757454 720883581 /nfs/dbraw/zinc/88/35/81/720883581.db2.gz UZPKFYPMFGLKAB-YIXXDRMTSA-N 1 0 491.039 4.342 20 0 JIADRO Clc1nc2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754462 720884125 /nfs/dbraw/zinc/88/41/25/720884125.db2.gz IZUJCAJDSQQTBL-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO CSc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757195 720892505 /nfs/dbraw/zinc/89/25/05/720892505.db2.gz UHCRKCAIVAWIFP-AUSIDOKSSA-N 1 0 460.047 4.002 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164750862 720893991 /nfs/dbraw/zinc/89/39/91/720893991.db2.gz CBVXCTJLHVVWKV-YADARESESA-N 1 0 485.057 4.198 20 0 JIADRO Cc1nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758507 720896420 /nfs/dbraw/zinc/89/64/20/720896420.db2.gz YVQIVICUIOQFGD-QPPBQGQZSA-N 1 0 492.014 4.442 20 0 JIADRO c1csc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164758441 720896476 /nfs/dbraw/zinc/89/64/76/720896476.db2.gz YCRFGNTUQQHLLS-GJZUVCINSA-N 1 0 461.635 4.355 20 0 JIADRO Clc1ccnc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc12 ZINC001164757145 720896486 /nfs/dbraw/zinc/89/64/86/720896486.db2.gz SYEOYPOXNUPLNF-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO O=C(N[C@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164857923 720898450 /nfs/dbraw/zinc/89/84/50/720898450.db2.gz KVQGLKVSDSMAHC-FREGXXQWSA-N 1 0 482.628 4.198 20 0 JIADRO CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757486 720898473 /nfs/dbraw/zinc/89/84/73/720898473.db2.gz VDLHZUYJKTXXOU-NAKRPHOHSA-N 1 0 478.685 4.253 20 0 JIADRO Nc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164750671 720907239 /nfs/dbraw/zinc/90/72/39/720907239.db2.gz JYSAHGFEIQCJDH-NZQKXSOJSA-N 1 0 477.987 4.012 20 0 JIADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)nn1 ZINC001164749052 720911978 /nfs/dbraw/zinc/91/19/78/720911978.db2.gz HMYRCJGVKGELGL-NZQKXSOJSA-N 1 0 477.987 4.133 20 0 JIADRO COc1ccccc1-c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748482 720916219 /nfs/dbraw/zinc/91/62/19/720916219.db2.gz GFKQBGFQKNLVFL-GIGWZHCTSA-N 1 0 485.632 4.302 20 0 JIADRO COc1ccccc1-c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748480 720916883 /nfs/dbraw/zinc/91/68/83/720916883.db2.gz GFKQBGFQKNLVFL-FUFSCUOVSA-N 1 0 485.632 4.302 20 0 JIADRO c1ccc(Cc2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164754640 720920691 /nfs/dbraw/zinc/92/06/91/720920691.db2.gz WOJAYRHTYJBURN-WNJJXGMVSA-N 1 0 469.633 4.218 20 0 JIADRO c1ccc(Cc2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164754638 720921179 /nfs/dbraw/zinc/92/11/79/720921179.db2.gz WOJAYRHTYJBURN-LITSAYRRSA-N 1 0 469.633 4.218 20 0 JIADRO Cc1csc2nc(C)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755174 720922392 /nfs/dbraw/zinc/92/23/92/720922392.db2.gz ZHQHDTSSTIKGCR-BKMJKUGQSA-N 1 0 463.651 4.458 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750182 720932931 /nfs/dbraw/zinc/93/29/31/720932931.db2.gz JQXDTBNTQHGSEC-DWACAAAGSA-N 1 0 457.622 4.202 20 0 JIADRO c1cc2c(nc(C3CCC3)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164749181 720939942 /nfs/dbraw/zinc/93/99/42/720939942.db2.gz IFDKNNWVBFPVLF-NEKDWFFYSA-N 1 0 472.637 4.376 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863095 720955207 /nfs/dbraw/zinc/95/52/07/720955207.db2.gz YBGUMCFPXADSJA-OAHLLOKOSA-N 1 0 456.978 4.078 20 0 JIADRO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)cc2C1 ZINC001164760586 721045901 /nfs/dbraw/zinc/04/59/01/721045901.db2.gz WZOFUDCYMVQGPW-UHFFFAOYSA-N 1 0 463.626 4.182 20 0 JIADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868918 721074176 /nfs/dbraw/zinc/07/41/76/721074176.db2.gz RDDATCBIQMESPO-IRXDYDNUSA-N 1 0 480.346 4.356 20 0 JIADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164879932 721123586 /nfs/dbraw/zinc/12/35/86/721123586.db2.gz VMLURESJAFYRDW-CLJLJLNGSA-N 1 0 472.589 4.059 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880925 721128781 /nfs/dbraw/zinc/12/87/81/721128781.db2.gz XPCUXYFPTBDBEQ-GMAHTHKFSA-N 1 0 450.970 4.189 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164874516 721144257 /nfs/dbraw/zinc/14/42/57/721144257.db2.gz KIXTYDWDUCXAFK-RTBURBONSA-N 1 0 481.691 4.308 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877033 721145352 /nfs/dbraw/zinc/14/53/52/721145352.db2.gz OETRALBQHGDDIX-FCHUYYIVSA-N 1 0 480.682 4.025 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879859 721185024 /nfs/dbraw/zinc/18/50/24/721185024.db2.gz URHGMWAASVJZPO-VQTJNVASSA-N 1 0 451.958 4.105 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164867138 721188240 /nfs/dbraw/zinc/18/82/40/721188240.db2.gz DZDZWMIKGKEJFO-IFMALSPDSA-N 1 0 465.985 4.359 20 0 JIADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867034 721195162 /nfs/dbraw/zinc/19/51/62/721195162.db2.gz DQPFFOLRBOXKBO-RBUKOAKNSA-N 1 0 462.972 4.424 20 0 JIADRO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164870194 721196017 /nfs/dbraw/zinc/19/60/17/721196017.db2.gz UJGJNJDOINOFPQ-UXHICEINSA-N 1 0 489.929 4.356 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761403 721240916 /nfs/dbraw/zinc/24/09/16/721240916.db2.gz IACKXLXXOUONTJ-WOJBJXKFSA-N 1 0 452.990 4.177 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccccc5F)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164768834 721246671 /nfs/dbraw/zinc/24/66/71/721246671.db2.gz YCUWAHAARMGIOL-SJORKVTESA-N 1 0 476.934 4.173 20 0 JIADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)C1 ZINC001164767890 721298648 /nfs/dbraw/zinc/29/86/48/721298648.db2.gz AXACRDAWYNDOCY-SFHVURJKSA-N 1 0 451.684 4.334 20 0 JIADRO O=C(c1cscn1)N1CCC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164873470 721328623 /nfs/dbraw/zinc/32/86/23/721328623.db2.gz CMLSYITYLXCCRW-UHFFFAOYSA-N 1 0 473.646 4.229 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164777325 721329643 /nfs/dbraw/zinc/32/96/43/721329643.db2.gz LZARVVREFIHHHV-WXVAWEFUSA-N 1 0 493.677 4.108 20 0 JIADRO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778565 721350422 /nfs/dbraw/zinc/35/04/22/721350422.db2.gz NGVVFRZKCWFILX-AREMUKBSSA-N 1 0 450.583 4.276 20 0 JIADRO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778571 721350657 /nfs/dbraw/zinc/35/06/57/721350657.db2.gz NGVVFRZKCWFILX-SANMLTNESA-N 1 0 450.583 4.276 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164784948 721362850 /nfs/dbraw/zinc/36/28/50/721362850.db2.gz ROQRPJBVVOEKOX-LJAQVGFWSA-N 1 0 499.615 4.449 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164786054 721372213 /nfs/dbraw/zinc/37/22/13/721372213.db2.gz VEZJPOCBNBGCEX-SANMLTNESA-N 1 0 490.633 4.477 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccccc54)C3)O2)CC1 ZINC001164883555 721403980 /nfs/dbraw/zinc/40/39/80/721403980.db2.gz ATIIVESDXWQSIY-FIPFOOKPSA-N 1 0 457.622 4.062 20 0 JIADRO Cc1ccc(-c2csc3ncnc(N4CC[C@]5(C4)CCC[C@@H](C[NH+]4CCN(C)CC4)O5)c23)cc1 ZINC001164883505 721404279 /nfs/dbraw/zinc/40/42/79/721404279.db2.gz AHIJWSYBGQEYSY-CUNXSJBXSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885717 721419528 /nfs/dbraw/zinc/41/95/28/721419528.db2.gz HBUMESHUSXEVER-CVDCTZTESA-N 1 0 464.988 4.199 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891331 721422551 /nfs/dbraw/zinc/42/25/51/721422551.db2.gz VKFFSZVVOCWWDD-BXKMTCNYSA-N 1 0 479.452 4.316 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)s1 ZINC001164894425 721439957 /nfs/dbraw/zinc/43/99/57/721439957.db2.gz MNLUUEBDMIFVMA-JIPXPUAJSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897693 721441401 /nfs/dbraw/zinc/44/14/01/721441401.db2.gz ULFGWRAGAHQOGV-LXFBAYGMSA-N 1 0 457.622 4.062 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892286 721443449 /nfs/dbraw/zinc/44/34/49/721443449.db2.gz HYNAURHJSACEHK-XUZZJYLKSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885409 721448547 /nfs/dbraw/zinc/44/85/47/721448547.db2.gz DPJLJNHLKOLPQN-MHECFPHRSA-N 1 0 492.451 4.341 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(C)cccc31)CC2 ZINC001164789477 721455611 /nfs/dbraw/zinc/45/56/11/721455611.db2.gz WPMAGLPNDSULHT-HXUWFJFHSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164788626 721455673 /nfs/dbraw/zinc/45/56/73/721455673.db2.gz RRILZJJOANWILS-SFHVURJKSA-N 1 0 465.063 4.387 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164784679 721459036 /nfs/dbraw/zinc/45/90/36/721459036.db2.gz JNLPGIDXUUDXBK-FQEVSTJZSA-N 1 0 463.066 4.133 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164787569 721459337 /nfs/dbraw/zinc/45/93/37/721459337.db2.gz RNAXXFQUZXFFAQ-IBGZPJMESA-N 1 0 475.033 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164785580 721461049 /nfs/dbraw/zinc/46/10/49/721461049.db2.gz MCFVCBFERBDZPS-LJQANCHMSA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164789215 721470057 /nfs/dbraw/zinc/47/00/57/721470057.db2.gz LWZRTXLMMZLLTB-IBGZPJMESA-N 1 0 462.997 4.156 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164892240 721470510 /nfs/dbraw/zinc/47/05/10/721470510.db2.gz PNWTXTFTJDRBIP-WIOPSUGQSA-N 1 0 460.626 4.463 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164793004 721494246 /nfs/dbraw/zinc/49/42/46/721494246.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 1 0 468.649 4.311 20 0 JIADRO O=C1CCC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)N1Cc1ccncc1 ZINC001164899186 721506223 /nfs/dbraw/zinc/50/62/23/721506223.db2.gz WXOZVTNGUZKAHG-UHFFFAOYSA-N 1 0 467.617 4.197 20 0 JIADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907741 721538160 /nfs/dbraw/zinc/53/81/60/721538160.db2.gz OGUWFGPJWMBRLE-FYYLOGMGSA-N 1 0 461.516 4.100 20 0 JIADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001164905827 721539266 /nfs/dbraw/zinc/53/92/66/721539266.db2.gz IPNKAZUHQMBCBP-GMAHTHKFSA-N 1 0 461.516 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/nfs/dbraw/zinc/88/82/18/1069888218.db2.gz JLPBLMHSEGDTPG-DEOSSOPVSA-N 1 0 496.700 4.433 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359579911 1069999653 /nfs/dbraw/zinc/99/96/53/1069999653.db2.gz XCVSSYBLPPTILD-RTWAWAEBSA-N 1 0 491.080 4.014 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359580477 1070001790 /nfs/dbraw/zinc/00/17/90/1070001790.db2.gz GUOFTDKZOVEVQR-QHCPKHFHSA-N 1 0 454.663 4.314 20 0 JIADRO CC(C)(C)S(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359588214 1070023356 /nfs/dbraw/zinc/02/33/56/1070023356.db2.gz MCKWOFBMVWRLJF-HSZRJFAPSA-N 1 0 493.762 4.317 20 0 JIADRO CC(C)(Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1)C[NH+]1CCCC1 ZINC001359598240 1070054157 /nfs/dbraw/zinc/05/41/57/1070054157.db2.gz SWZFECUSRGMHOJ-UHFFFAOYSA-N 1 0 476.463 4.038 20 0 JIADRO CC(C)(O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359599629 1070058311 /nfs/dbraw/zinc/05/83/11/1070058311.db2.gz SIJQEKLEJSCUDM-GOSISDBHSA-N 1 0 463.573 4.020 20 0 JIADRO CC(C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359604653 1070064157 /nfs/dbraw/zinc/06/41/57/1070064157.db2.gz ANRCGEIGPGGFOM-FQEVSTJZSA-N 1 0 476.065 4.374 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001359623777 1070104832 /nfs/dbraw/zinc/10/48/32/1070104832.db2.gz FLUPETJJOPTRPS-AKIFATBCSA-N 1 0 482.673 4.000 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+](C)C1CCCC1 ZINC001359635152 1070162346 /nfs/dbraw/zinc/16/23/46/1070162346.db2.gz RDLGSXSKDBCMJA-UHFFFAOYSA-N 1 0 486.730 4.358 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001359644195 1070186267 /nfs/dbraw/zinc/18/62/67/1070186267.db2.gz CCMNAMPJCKJFRK-UHFFFAOYSA-N 1 0 461.658 4.281 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359648714 1070207094 /nfs/dbraw/zinc/20/70/94/1070207094.db2.gz ZXECGWTVTTYJFF-HRAATJIYSA-N 1 0 482.492 4.241 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001359655546 1070226821 /nfs/dbraw/zinc/22/68/21/1070226821.db2.gz YGBSINDMTLAJIE-IFMALSPDSA-N 1 0 484.689 4.383 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359656069 1070231471 /nfs/dbraw/zinc/23/14/71/1070231471.db2.gz IYNCWLXGFINTQV-WIYYLYMNSA-N 1 0 472.703 4.287 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359656180 1070232501 /nfs/dbraw/zinc/23/25/01/1070232501.db2.gz LFNUYUKPMHBHSI-NRFANRHFSA-N 1 0 466.674 4.197 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359657606 1070247357 /nfs/dbraw/zinc/24/73/57/1070247357.db2.gz KJJCDYCVORFUIJ-NRFANRHFSA-N 1 0 474.738 4.366 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359657890 1070251066 /nfs/dbraw/zinc/25/10/66/1070251066.db2.gz PPDLONAOIDTRSK-SIKLNZKXSA-N 1 0 498.697 4.203 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359658844 1070261149 /nfs/dbraw/zinc/26/11/49/1070261149.db2.gz JUSLCFCSKDAUND-FCHUYYIVSA-N 1 0 468.646 4.169 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001359658972 1070261731 /nfs/dbraw/zinc/26/17/31/1070261731.db2.gz MZNDLTKYPSTVIC-DHLKQENFSA-N 1 0 483.701 4.462 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001359658973 1070262351 /nfs/dbraw/zinc/26/23/51/1070262351.db2.gz MZNDLTKYPSTVIC-RCZVLFRGSA-N 1 0 483.701 4.462 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC001359659455 1070266060 /nfs/dbraw/zinc/26/60/60/1070266060.db2.gz WUPFWXLDGUAFJE-OXJNMPFZSA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001359659081 1070263421 /nfs/dbraw/zinc/26/34/21/1070263421.db2.gz PELCPIGDTKUSQR-FGZHOGPDSA-N 1 0 494.105 4.122 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359659942 1070268720 /nfs/dbraw/zinc/26/87/20/1070268720.db2.gz GZYGQUPNFLRNBI-FYYLOGMGSA-N 1 0 499.704 4.145 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359659943 1070269080 /nfs/dbraw/zinc/26/90/80/1070269080.db2.gz GZYGQUPNFLRNBI-GGAORHGYSA-N 1 0 499.704 4.145 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCC1 ZINC001359660286 1070270655 /nfs/dbraw/zinc/27/06/55/1070270655.db2.gz NDJNBPQOAJUSNL-JOCHJYFZSA-N 1 0 454.594 4.058 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660782 1070274124 /nfs/dbraw/zinc/27/41/24/1070274124.db2.gz XHQDOIDGXSWPDI-FYYLOGMGSA-N 1 0 499.704 4.477 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001359664302 1070291849 /nfs/dbraw/zinc/29/18/49/1070291849.db2.gz CLICBMHHOSTCKB-JOCHJYFZSA-N 1 0 488.652 4.088 20 0 JIADRO CC(C)[C@H](Cn1c(N(C)C[C@@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665784 1070298298 /nfs/dbraw/zinc/29/82/98/1070298298.db2.gz GJKFAMQXWSRJDN-VXKWHMMOSA-N 1 0 488.746 4.267 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666161 1070300516 /nfs/dbraw/zinc/30/05/16/1070300516.db2.gz OHQLCHBULHMDEP-VWNXMTODSA-N 1 0 480.701 4.342 20 0 JIADRO CC(C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F)[NH+]1CCCC1 ZINC001359666678 1070302380 /nfs/dbraw/zinc/30/23/80/1070302380.db2.gz YZDPYOZGVXLTOT-CEXWTWQISA-N 1 0 484.636 4.261 20 0 JIADRO CC(C)[C@@H](Cn1c(N(C)C[C@@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665785 1070298066 /nfs/dbraw/zinc/29/80/66/1070298066.db2.gz GJKFAMQXWSRJDN-YADHBBJMSA-N 1 0 488.746 4.267 20 0 JIADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCC1 ZINC001359666794 1070302899 /nfs/dbraw/zinc/30/28/99/1070302899.db2.gz BLCPDTKIOKVIDM-ZWKOTPCHSA-N 1 0 466.424 4.242 20 0 JIADRO CC(C)c1csc([C@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001359669282 1070309380 /nfs/dbraw/zinc/30/93/80/1070309380.db2.gz IAZWTNBMMZOCIU-VQTJNVASSA-N 1 0 460.692 4.476 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001359669283 1070309678 /nfs/dbraw/zinc/30/96/78/1070309678.db2.gz IAZWTNBMMZOCIU-WOJBJXKFSA-N 1 0 460.692 4.476 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)no1 ZINC001359671333 1070316027 /nfs/dbraw/zinc/31/60/27/1070316027.db2.gz OQMNNWCOGOEJJJ-IBGZPJMESA-N 1 0 499.635 4.474 20 0 JIADRO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)CCO2)no1 ZINC001359671651 1070317384 /nfs/dbraw/zinc/31/73/84/1070317384.db2.gz WIEWRWDSZOWCFQ-NRFANRHFSA-N 1 0 467.618 4.008 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC001359673864 1070324356 /nfs/dbraw/zinc/32/43/56/1070324356.db2.gz RKRJZJHUCKTNKP-HSZRJFAPSA-N 1 0 462.646 4.400 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359680982 1070337443 /nfs/dbraw/zinc/33/74/43/1070337443.db2.gz LJIPKDUJTDQWOI-UUWRZZSWSA-N 1 0 487.714 4.058 20 0 JIADRO CC(C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359689927 1070346496 /nfs/dbraw/zinc/34/64/96/1070346496.db2.gz VYDOURALPACZPW-GHTZIAJQSA-N 1 0 474.625 4.022 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359697597 1070357910 /nfs/dbraw/zinc/35/79/10/1070357910.db2.gz YAGWRVZBWYSIHQ-MSOLQXFVSA-N 1 0 462.664 4.117 20 0 JIADRO CC(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001359697113 1070356681 /nfs/dbraw/zinc/35/66/81/1070356681.db2.gz IUWWRTZYSCYJNN-UHFFFAOYSA-N 1 0 496.700 4.009 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359707655 1070375123 /nfs/dbraw/zinc/37/51/23/1070375123.db2.gz YJOHGBFBXADRON-MOPGFXCFSA-N 1 0 460.623 4.133 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359708010 1070376702 /nfs/dbraw/zinc/37/67/02/1070376702.db2.gz GVNUAFNCPNWKLI-IRLDBZIGSA-N 1 0 452.578 4.286 20 0 JIADRO COc1ccc(CCn2c(N3CC[N@@H+]4CCCC[C@H]4C3)nnc2C(C)(C)C)cc1Br ZINC001315465893 1064293660 /nfs/dbraw/zinc/29/36/60/1064293660.db2.gz SJGXRYLXJYJSMA-SFHVURJKSA-N 1 0 476.463 4.264 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315470877 1064308997 /nfs/dbraw/zinc/30/89/97/1064308997.db2.gz PMUOLFPPRXBXLL-AJTFRIOCSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001315476318 1064327423 /nfs/dbraw/zinc/32/74/23/1064327423.db2.gz YICQRWOGPVTUMC-HXUWFJFHSA-N 1 0 463.630 4.201 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001315476810 1064329084 /nfs/dbraw/zinc/32/90/84/1064329084.db2.gz HUXCKBWSRWBNHT-HXUWFJFHSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(SC)CC[NH+](C)CC2)cc1C ZINC001315478281 1064333287 /nfs/dbraw/zinc/33/32/87/1064333287.db2.gz SGNCJXICQLBHTF-QFIPXVFZSA-N 1 0 473.687 4.301 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC001315478682 1064334049 /nfs/dbraw/zinc/33/40/49/1064334049.db2.gz XHZVDUQVDCXSHQ-RDPSFJRHSA-N 1 0 471.646 4.382 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1O ZINC001315479384 1064336211 /nfs/dbraw/zinc/33/62/11/1064336211.db2.gz JCRYEQXDTAJWDC-GOSISDBHSA-N 1 0 484.670 4.105 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCCC2)c(OC)c1 ZINC001315479428 1064336416 /nfs/dbraw/zinc/33/64/16/1064336416.db2.gz KKSNKVMONATSCY-UHFFFAOYSA-N 1 0 484.670 4.162 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001315480966 1064341356 /nfs/dbraw/zinc/34/13/56/1064341356.db2.gz SSEKZQLJXARFKI-UHFFFAOYSA-N 1 0 487.714 4.492 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCC2)cc1O ZINC001315482485 1064345605 /nfs/dbraw/zinc/34/56/05/1064345605.db2.gz BAXUGCTUNRQGHQ-NFBKMPQASA-N 1 0 471.646 4.033 20 0 JIADRO COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC([NH2+]C(C)C)CC2)c(C(F)(F)F)c1 ZINC001315490638 1064373355 /nfs/dbraw/zinc/37/33/55/1064373355.db2.gz AQIQOKGYWGFQHQ-UHFFFAOYSA-N 1 0 462.520 4.316 20 0 JIADRO COc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001315506641 1064424531 /nfs/dbraw/zinc/42/45/31/1064424531.db2.gz SFSRKNGFKCGJEU-UHFFFAOYSA-N 1 0 466.655 4.251 20 0 JIADRO COc1ccc(Cn2c(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)nnc2C(C)(C)C)cc1O ZINC001315507396 1064427711 /nfs/dbraw/zinc/42/77/11/1064427711.db2.gz JTFHQMDCQZBLAV-TZIWHRDSSA-N 1 0 455.647 4.429 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CC[NH+](C(C)C)C(C)C ZINC001315512505 1064450965 /nfs/dbraw/zinc/45/09/65/1064450965.db2.gz QHFGDXMPIKOPAE-UHFFFAOYSA-N 1 0 458.010 4.152 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCCCC1 ZINC001315512450 1064451086 /nfs/dbraw/zinc/45/10/86/1064451086.db2.gz PPBNUPDOMTWYNW-UHFFFAOYSA-N 1 0 455.006 4.433 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(C(C)(C)C)n1CCCCC[NH+]1CCCCC1)C[C@@H]2O ZINC001315522831 1064492529 /nfs/dbraw/zinc/49/25/29/1064492529.db2.gz KSLIUMUCNKRLNN-NRFANRHFSA-N 1 0 485.673 4.303 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315522700 1064492649 /nfs/dbraw/zinc/49/26/49/1064492649.db2.gz DMVFGZONLVSGBL-LJQANCHMSA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001315531050 1064515573 /nfs/dbraw/zinc/51/55/73/1064515573.db2.gz RKPJHPAKTGXMBM-DEOSSOPVSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001315534393 1064523664 /nfs/dbraw/zinc/52/36/64/1064523664.db2.gz JLEZVJZGTRUMPF-GOSISDBHSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001315536029 1064527712 /nfs/dbraw/zinc/52/77/12/1064527712.db2.gz URDMBDKSFPADRP-ZBLYBZFDSA-N 1 0 487.689 4.483 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001315536809 1064529090 /nfs/dbraw/zinc/52/90/90/1064529090.db2.gz SPWIALYHEOEDOM-KSZLIROESA-N 1 0 463.573 4.076 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001315538548 1064533310 /nfs/dbraw/zinc/53/33/10/1064533310.db2.gz BWYHDJBNMVDZET-IRLDBZIGSA-N 1 0 478.641 4.293 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(C)=O)C3(CCCCC3)C2)[NH+](C)C)c1 ZINC001315544150 1064545512 /nfs/dbraw/zinc/54/55/12/1064545512.db2.gz ANLHWOBPKTVRTL-XMMPIXPASA-N 1 0 482.673 4.084 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315545907 1064551540 /nfs/dbraw/zinc/55/15/40/1064551540.db2.gz PZRMIMDRCWEYCF-OFNKIYASSA-N 1 0 483.579 4.243 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315545905 1064552030 /nfs/dbraw/zinc/55/20/30/1064552030.db2.gz PZRMIMDRCWEYCF-NZQKXSOJSA-N 1 0 483.579 4.243 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)[NH+](C)C)c1 ZINC001315546253 1064553154 /nfs/dbraw/zinc/55/31/54/1064553154.db2.gz GRTPSZAZWBTPLP-UGKGYDQZSA-N 1 0 470.568 4.442 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[NH+](C)C)c1 ZINC001315546766 1064554855 /nfs/dbraw/zinc/55/48/55/1064554855.db2.gz JOTFLCQGROFITO-ATIYNZHBSA-N 1 0 466.630 4.226 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](Cc3noc(C)n3)C2)[NH+](C)C)c1 ZINC001315546933 1064555569 /nfs/dbraw/zinc/55/55/69/1064555569.db2.gz KVCDXOZXZNUMGB-OFNKIYASSA-N 1 0 495.672 4.329 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3C[C@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315547737 1064557748 /nfs/dbraw/zinc/55/77/48/1064557748.db2.gz CKBMYPROIPVFKD-IFMALSPDSA-N 1 0 455.647 4.019 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](C)CC2)[NH+](C)C)c1 ZINC001315548428 1064560055 /nfs/dbraw/zinc/56/00/55/1064560055.db2.gz IOKHSLFOTWHVFN-NTKDMRAZSA-N 1 0 465.646 4.078 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@H](C)[C@@H](OC)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548499 1064561031 /nfs/dbraw/zinc/56/10/31/1064561031.db2.gz KGJZOPCGOIIATO-VJBMBRPKSA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001315549851 1064565607 /nfs/dbraw/zinc/56/56/07/1064565607.db2.gz SLVAHEZBUODBSU-LOSJGSFVSA-N 1 0 492.668 4.359 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC[C@H](c4ccnn4C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315549931 1064565681 /nfs/dbraw/zinc/56/56/81/1064565681.db2.gz SYQSRCWUUYUBPI-NZQKXSOJSA-N 1 0 465.646 4.005 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315553285 1064570217 /nfs/dbraw/zinc/57/02/17/1064570217.db2.gz YCXMWLWMIARJFB-OALUTQOASA-N 1 0 452.603 4.335 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001315556877 1064576858 /nfs/dbraw/zinc/57/68/58/1064576858.db2.gz FAIDRLWYTWTQDT-UHFFFAOYSA-N 1 0 496.700 4.159 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2nc(C)c(C)s2)c1 ZINC001315558798 1064582739 /nfs/dbraw/zinc/58/27/39/1064582739.db2.gz ILVQPKNQISJMIV-UHFFFAOYSA-N 1 0 454.644 4.237 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCCNC(=O)C(C)C)c1 ZINC001315561446 1064587068 /nfs/dbraw/zinc/58/70/68/1064587068.db2.gz WBFNGAXSTSJPIW-QHCPKHFHSA-N 1 0 496.700 4.064 20 0 JIADRO COc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCCSCC(C)C)c1 ZINC001315562085 1064588555 /nfs/dbraw/zinc/58/85/55/1064588555.db2.gz AQQZWFBBUUFVJK-OAQYLSRUSA-N 1 0 487.714 4.423 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H]3CSC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315562627 1064589741 /nfs/dbraw/zinc/58/97/41/1064589741.db2.gz KBWATPCAETUZFA-SFHLNBCPSA-N 1 0 473.687 4.173 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315563175 1064590730 /nfs/dbraw/zinc/59/07/30/1064590730.db2.gz LVYPEPOPGCMLOG-DHIUTWEWSA-N 1 0 496.700 4.015 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001315564145 1064593575 /nfs/dbraw/zinc/59/35/75/1064593575.db2.gz XNDSZSOUCPLWTN-UHFFFAOYSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315564621 1064594430 /nfs/dbraw/zinc/59/44/30/1064594430.db2.gz VZAWUZCGEMJMKI-SFTDATJTSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001315564525 1064594461 /nfs/dbraw/zinc/59/44/61/1064594461.db2.gz MZIMXEKDENQRSW-HXUWFJFHSA-N 1 0 498.672 4.322 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001315564629 1064594712 /nfs/dbraw/zinc/59/47/12/1064594712.db2.gz WCUPHFDIAIUOHI-IBGZPJMESA-N 1 0 486.661 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(C)CCOCC2)c1 ZINC001315564729 1064594994 /nfs/dbraw/zinc/59/49/94/1064594994.db2.gz XEVDNSWDAAQNDK-UHFFFAOYSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315567901 1064601794 /nfs/dbraw/zinc/60/17/94/1064601794.db2.gz UVXDDVIVFKPSMI-RXVVDRJESA-N 1 0 481.563 4.376 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001315568694 1064604340 /nfs/dbraw/zinc/60/43/40/1064604340.db2.gz ADIIRSUNXUXKPH-QDSKXPNFSA-N 1 0 496.700 4.114 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc(-c4cccnc4)n3CC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001315569701 1064609643 /nfs/dbraw/zinc/60/96/43/1064609643.db2.gz JILYYGBFNGMTNH-XMMPIXPASA-N 1 0 464.614 4.045 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001315570925 1064614350 /nfs/dbraw/zinc/61/43/50/1064614350.db2.gz MBRNEVNVQTVLGP-BJKOFHAPSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCCCC2)c1 ZINC001315575037 1064629718 /nfs/dbraw/zinc/62/97/18/1064629718.db2.gz TYQJOOUGOQUUDC-UHFFFAOYSA-N 1 0 479.547 4.178 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315576439 1064633017 /nfs/dbraw/zinc/63/30/17/1064633017.db2.gz XIXPIODFRKQHOI-KOSHJBKYSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H](C)c2ccco2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315591289 1064680421 /nfs/dbraw/zinc/68/04/21/1064680421.db2.gz KQZZXEKIGGCNKF-VAMGGRTRSA-N 1 0 453.587 4.243 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H](C)c2ccco2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315591291 1064680513 /nfs/dbraw/zinc/68/05/13/1064680513.db2.gz KQZZXEKIGGCNKF-ZCNNSNEGSA-N 1 0 453.587 4.243 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315593266 1064687359 /nfs/dbraw/zinc/68/73/59/1064687359.db2.gz ANOGLAGKECFLDU-PZJWPPBQSA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315593977 1064689978 /nfs/dbraw/zinc/68/99/78/1064689978.db2.gz NVBDZOSEFLIJIR-BHIFYINESA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001315596039 1064695705 /nfs/dbraw/zinc/69/57/05/1064695705.db2.gz GLHTYFVHORIRKM-HSZRJFAPSA-N 1 0 467.658 4.493 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315596232 1064696361 /nfs/dbraw/zinc/69/63/61/1064696361.db2.gz IITWMLXNZZLRGQ-LVCYWYKZSA-N 1 0 481.563 4.374 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001315597874 1064700973 /nfs/dbraw/zinc/70/09/73/1064700973.db2.gz HABRDNYSIYNAFI-DEOSSOPVSA-N 1 0 495.590 4.359 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001315599910 1064706418 /nfs/dbraw/zinc/70/64/18/1064706418.db2.gz KWWGCJXURMPAIC-UHFFFAOYSA-N 1 0 472.037 4.233 20 0 JIADRO 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/nfs/dbraw/zinc/87/29/24/1065872924.db2.gz RRUQDKJQNWIBBY-IBGZPJMESA-N 1 0 476.065 4.340 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001316191493 1065882127 /nfs/dbraw/zinc/88/21/27/1065882127.db2.gz BXEDLDVEGXCAKO-SSGKUCQKSA-N 1 0 465.658 4.233 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001316198008 1065894142 /nfs/dbraw/zinc/89/41/42/1065894142.db2.gz KOWIKJGQXJAVPY-HXUWFJFHSA-N 1 0 498.697 4.485 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001316214275 1065922726 /nfs/dbraw/zinc/92/27/26/1065922726.db2.gz MRTJRVVSBIIVDY-FYYLOGMGSA-N 1 0 491.627 4.458 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001316214281 1065922824 /nfs/dbraw/zinc/92/28/24/1065922824.db2.gz MRTJRVVSBIIVDY-JTHBVZDNSA-N 1 0 491.627 4.458 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316234409 1065964309 /nfs/dbraw/zinc/96/43/09/1065964309.db2.gz LKQFIIGWRKDZKP-PKTZIBPZSA-N 1 0 455.647 4.006 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001316236115 1065969383 /nfs/dbraw/zinc/96/93/83/1065969383.db2.gz YHRHNLTXEMTVQU-QFIPXVFZSA-N 1 0 476.065 4.352 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001316240023 1065977549 /nfs/dbraw/zinc/97/75/49/1065977549.db2.gz SVHIDIIIEUSNQI-OAQYLSRUSA-N 1 0 469.674 4.359 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001316242914 1065984392 /nfs/dbraw/zinc/98/43/92/1065984392.db2.gz YWTHUNUQIUIFTQ-SZPZYZBQSA-N 1 0 499.700 4.342 20 0 JIADRO COCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316263665 1066009078 /nfs/dbraw/zinc/00/90/78/1066009078.db2.gz NVHYLGWIMMTECV-NRFANRHFSA-N 1 0 476.065 4.354 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001316274422 1066024518 /nfs/dbraw/zinc/02/45/18/1066024518.db2.gz SXAQIDAPGFZKGY-CBQOVEMMSA-N 1 0 459.610 4.213 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1CC(C)(C)C[NH+](C)C ZINC001316284462 1066040541 /nfs/dbraw/zinc/04/05/41/1066040541.db2.gz XNKIDWRMAKCMIK-NMTNEYKDSA-N 1 0 485.673 4.186 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](C)c1ccc(C)cc1 ZINC001316289884 1066048839 /nfs/dbraw/zinc/04/88/39/1066048839.db2.gz ZGYKRJQZBIQJJZ-XWGVYQGASA-N 1 0 469.674 4.425 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(OC)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001316291131 1066051266 /nfs/dbraw/zinc/05/12/66/1066051266.db2.gz DILDHRRIDIKCKC-KZRLHFJPSA-N 1 0 491.721 4.154 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001316295098 1066056423 /nfs/dbraw/zinc/05/64/23/1066056423.db2.gz WQRLGVTVGCIBNE-XWGVYQGASA-N 1 0 455.647 4.151 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001316302420 1066062693 /nfs/dbraw/zinc/06/26/93/1066062693.db2.gz OPQPHZYNJILDLG-TWGBQZSLSA-N 1 0 483.648 4.384 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316313313 1066069489 /nfs/dbraw/zinc/06/94/89/1066069489.db2.gz BFMSVXVCYKWDAH-NMNUPHIUSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316313817 1066070292 /nfs/dbraw/zinc/07/02/92/1066070292.db2.gz IFPCLQVHDBQRCQ-NRYAXDJKSA-N 1 0 494.105 4.351 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316328229 1066084210 /nfs/dbraw/zinc/08/42/10/1066084210.db2.gz ICIUGSDNSWOYHC-XJUOHMSHSA-N 1 0 455.647 4.067 20 0 JIADRO CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316337821 1066092317 /nfs/dbraw/zinc/09/23/17/1066092317.db2.gz UXQKAQBGMXTWBB-NRFANRHFSA-N 1 0 491.677 4.144 20 0 JIADRO C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001316361922 1066098429 /nfs/dbraw/zinc/09/84/29/1066098429.db2.gz FIBLGNFCCGFUCO-XFSFLGPDSA-N 1 0 463.736 4.260 20 0 JIADRO CSC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001316365441 1066105844 /nfs/dbraw/zinc/10/58/44/1066105844.db2.gz PXCLWJUQRJIOIN-MRXNPFEDSA-N 1 0 467.481 4.242 20 0 JIADRO CS[C@H](Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC001316392092 1066165798 /nfs/dbraw/zinc/16/57/98/1066165798.db2.gz NLRCIWGNOGPDIY-FCHUYYIVSA-N 1 0 457.688 4.179 20 0 JIADRO CS[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)(C)C ZINC001316394058 1066169913 /nfs/dbraw/zinc/16/99/13/1066169913.db2.gz HEHYWWFZYMPMCQ-JOCHJYFZSA-N 1 0 473.735 4.234 20 0 JIADRO CS[C@@H](Cn1c(C2CC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)C(C)(C)C ZINC001316394618 1066170686 /nfs/dbraw/zinc/17/06/86/1066170686.db2.gz ZXQLSIVHWQFTAH-KRWDZBQOSA-N 1 0 463.614 4.024 20 0 JIADRO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)(C)C ZINC001316395068 1066171163 /nfs/dbraw/zinc/17/11/63/1066171163.db2.gz LHRCAHHHJBMKOX-AOHZBQACSA-N 1 0 499.773 4.036 20 0 JIADRO CS[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC1)C(C)(C)C ZINC001316395377 1066171615 /nfs/dbraw/zinc/17/16/15/1066171615.db2.gz OACWAROOUVBWOB-HSZRJFAPSA-N 1 0 470.731 4.409 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)CC[NH+](C)CC1 ZINC001316402889 1066182436 /nfs/dbraw/zinc/18/24/36/1066182436.db2.gz BFWRMNLKTBPQJR-UHFFFAOYSA-N 1 0 490.052 4.034 20 0 JIADRO CSC1(Cn2c(-c3cccn3C)nnc2N2CCC(OCCC(C)C)CC2)CC[NH+](C)CC1 ZINC001316403611 1066184961 /nfs/dbraw/zinc/18/49/61/1066184961.db2.gz DBBUCICFDDRUSJ-UHFFFAOYSA-N 1 0 474.719 4.143 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316404773 1066186798 /nfs/dbraw/zinc/18/67/98/1066186798.db2.gz CJYJXPFVMVEQDJ-GOSISDBHSA-N 1 0 475.625 4.311 20 0 JIADRO CSC1(Cn2c(-c3ccccc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC[NH+](C)CC1 ZINC001316404748 1066186813 /nfs/dbraw/zinc/18/68/13/1066186813.db2.gz QLVNUCIQGROCGG-UHFFFAOYSA-N 1 0 465.671 4.322 20 0 JIADRO CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC[NH+](C)CC1 ZINC001316406910 1066189830 /nfs/dbraw/zinc/18/98/30/1066189830.db2.gz ILGOQQSPDOEDAF-UHFFFAOYSA-N 1 0 456.006 4.195 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N(C)CCOCc2ccccc2)CC[NH+](C)CC1 ZINC001316408190 1066192156 /nfs/dbraw/zinc/19/21/56/1066192156.db2.gz PMOFMLXOHUCBQD-UHFFFAOYSA-N 1 0 459.704 4.347 20 0 JIADRO CSC1(Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316411273 1066200277 /nfs/dbraw/zinc/20/02/77/1066200277.db2.gz JMANPPBCTBPLCQ-UHFFFAOYSA-N 1 0 491.149 4.379 20 0 JIADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H]2CCCCO2)CC[NH+](C)CC1 ZINC001316412694 1066203514 /nfs/dbraw/zinc/20/35/14/1066203514.db2.gz RZVDFHCDZUOXFS-PWRODBHTSA-N 1 0 479.735 4.029 20 0 JIADRO Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)cc1Cl ZINC001324875094 1066231935 /nfs/dbraw/zinc/23/19/35/1066231935.db2.gz SXWXREKZCSJPRF-KRWDZBQOSA-N 1 0 482.433 4.413 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001316425160 1066241954 /nfs/dbraw/zinc/24/19/54/1066241954.db2.gz YZONMKQTMDGKPC-LJQANCHMSA-N 1 0 495.112 4.486 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001316425516 1066243405 /nfs/dbraw/zinc/24/34/05/1066243405.db2.gz HNOVSVUVGZXSKW-XMMPIXPASA-N 1 0 470.731 4.411 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001325500268 1066253355 /nfs/dbraw/zinc/25/33/55/1066253355.db2.gz WDNFGUVXTFJZBK-DRLORSAXSA-N 1 0 462.638 4.269 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001492499678 1066258680 /nfs/dbraw/zinc/25/86/80/1066258680.db2.gz FRLQVEWHOUYMDP-UHFFFAOYSA-N 1 0 498.557 4.169 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCOCC2)C1 ZINC001316429840 1066262426 /nfs/dbraw/zinc/26/24/26/1066262426.db2.gz GRZHMCCOGFCPQN-YPAWHYETSA-N 1 0 479.735 4.031 20 0 JIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001325705755 1066264847 /nfs/dbraw/zinc/26/48/47/1066264847.db2.gz ONRZHCWVXRNUAI-RUZDIDTESA-N 1 0 464.610 4.065 20 0 JIADRO CSCc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001316433152 1066277649 /nfs/dbraw/zinc/27/76/49/1066277649.db2.gz QJZVWQZKJMJNAG-UHFFFAOYSA-N 1 0 498.741 4.420 20 0 JIADRO CSCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC001316433171 1066277698 /nfs/dbraw/zinc/27/76/98/1066277698.db2.gz QSVCNQAOJFGWOK-UHFFFAOYSA-N 1 0 457.688 4.079 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001316442696 1066305450 /nfs/dbraw/zinc/30/54/50/1066305450.db2.gz TWQYSQXOYKLWPE-OAQYLSRUSA-N 1 0 457.688 4.496 20 0 JIADRO Cc1cc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001326762805 1066305379 /nfs/dbraw/zinc/30/53/79/1066305379.db2.gz OFVMKBFTHATGAX-UHFFFAOYSA-N 1 0 487.530 4.160 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316443544 1066307982 /nfs/dbraw/zinc/30/79/82/1066307982.db2.gz DAJSFCGXBAAKNH-MSOLQXFVSA-N 1 0 476.691 4.094 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492502859 1066310850 /nfs/dbraw/zinc/31/08/50/1066310850.db2.gz LYOZIWXIMODQAQ-UHFFFAOYSA-N 1 0 454.663 4.414 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316444351 1066311290 /nfs/dbraw/zinc/31/12/90/1066311290.db2.gz BLPQKRTXPXBNJS-UXHICEINSA-N 1 0 497.717 4.009 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001492503082 1066312935 /nfs/dbraw/zinc/31/29/35/1066312935.db2.gz UDKHKESVULGTCA-VWLOTQADSA-N 1 0 450.656 4.155 20 0 JIADRO Cc1cccc(-c2nnc(N(Cc3cccc(F)c3)C[C@H]3CCCO3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492504318 1066318952 /nfs/dbraw/zinc/31/89/52/1066318952.db2.gz RHTZLEONWUUFIZ-HSZRJFAPSA-N 1 0 466.605 4.313 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316447005 1066320051 /nfs/dbraw/zinc/32/00/51/1066320051.db2.gz NSNMPMHXUSPYCN-VQTJNVASSA-N 1 0 450.656 4.365 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3occc3NC(=O)OC(C)(C)C)C2)ccn1 ZINC001328455452 1066324299 /nfs/dbraw/zinc/32/42/99/1066324299.db2.gz HPPUMLCDYXQYTE-IBGZPJMESA-N 1 0 458.559 4.155 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316448773 1066324580 /nfs/dbraw/zinc/32/45/80/1066324580.db2.gz QXFRKHQHWXPTLY-ACIOBRDBSA-N 1 0 457.688 4.415 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316449625 1066326352 /nfs/dbraw/zinc/32/63/52/1066326352.db2.gz IJPCZVSWGHHGGH-FQEVSTJZSA-N 1 0 475.678 4.231 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492506676 1066327798 /nfs/dbraw/zinc/32/77/98/1066327798.db2.gz LNMADJLPFVLNJV-KNQAVFIVSA-N 1 0 485.677 4.117 20 0 JIADRO C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001328636464 1066328827 /nfs/dbraw/zinc/32/88/27/1066328827.db2.gz YLVBLTSNZWLRPQ-XMSQKQJNSA-N 1 0 459.546 4.155 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492507041 1066330013 /nfs/dbraw/zinc/33/00/13/1066330013.db2.gz XJELHDSPBRKGNE-URXFXBBRSA-N 1 0 495.716 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492507010 1066330113 /nfs/dbraw/zinc/33/01/13/1066330113.db2.gz WAZBRCYTKWWNJG-QFIPXVFZSA-N 1 0 495.716 4.290 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)n1 ZINC001492508745 1066335527 /nfs/dbraw/zinc/33/55/27/1066335527.db2.gz YVLHNUIUHOJHHJ-NRFANRHFSA-N 1 0 497.688 4.264 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)COc3ccc(Cl)cc3Br)C2)ccn1 ZINC001329440768 1066339059 /nfs/dbraw/zinc/33/90/59/1066339059.db2.gz FKPIZAWMBXYFTK-LJQANCHMSA-N 1 0 496.833 4.396 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492511474 1066345282 /nfs/dbraw/zinc/34/52/82/1066345282.db2.gz ZOSGEBPNMXKDLE-NRFANRHFSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492513032 1066352456 /nfs/dbraw/zinc/35/24/56/1066352456.db2.gz XPSKIQFKNOVDJL-SFHVURJKSA-N 1 0 459.436 4.402 20 0 JIADRO CSCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001316460536 1066355441 /nfs/dbraw/zinc/35/54/41/1066355441.db2.gz IDOOKXCOBIWRRC-UHFFFAOYSA-N 1 0 478.106 4.214 20 0 JIADRO CSCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001316460613 1066355469 /nfs/dbraw/zinc/35/54/69/1066355469.db2.gz FAJHMQZHDXLWBL-UHFFFAOYSA-N 1 0 474.078 4.188 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001492514818 1066357455 /nfs/dbraw/zinc/35/74/55/1066357455.db2.gz RQKMWYXKGDBYNR-QFIPXVFZSA-N 1 0 497.688 4.216 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492516953 1066366177 /nfs/dbraw/zinc/36/61/77/1066366177.db2.gz BRPHWGXAPYZRAG-OAQYLSRUSA-N 1 0 497.688 4.074 20 0 JIADRO Cc1nc(N2CCN(c3nnc(-c4cccc(C)n4)n3CC[NH+](C(C)C)C(C)C)CC2)sc1C ZINC001492517890 1066374515 /nfs/dbraw/zinc/37/45/15/1066374515.db2.gz JPPPYPCJSSGRLG-UHFFFAOYSA-N 1 0 482.702 4.167 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001492518504 1066378222 /nfs/dbraw/zinc/37/82/22/1066378222.db2.gz HPYOXSWKVTYRNI-UHFFFAOYSA-N 1 0 497.688 4.074 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492518638 1066379671 /nfs/dbraw/zinc/37/96/71/1066379671.db2.gz LWYHSIRXVHVKBB-FPGHNAPASA-N 1 0 493.622 4.232 20 0 JIADRO CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001316473678 1066381024 /nfs/dbraw/zinc/38/10/24/1066381024.db2.gz JYTBTYATSAYWRC-UHFFFAOYSA-N 1 0 456.031 4.038 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492519688 1066383009 /nfs/dbraw/zinc/38/30/09/1066383009.db2.gz SYNOZDGXODYTSM-DHLKQENFSA-N 1 0 462.642 4.420 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492519699 1066383137 /nfs/dbraw/zinc/38/31/37/1066383137.db2.gz TVIHISWKIBCMCS-PKTZIBPZSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492520256 1066384734 /nfs/dbraw/zinc/38/47/34/1066384734.db2.gz ISAMPSFTVYFSQT-DEOSSOPVSA-N 1 0 484.689 4.037 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001333167498 1066385100 /nfs/dbraw/zinc/38/51/00/1066385100.db2.gz MZZCSDQOGJJGJB-RBBKRZOGSA-N 1 0 481.000 4.173 20 0 JIADRO Cc1cccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001492520862 1066388074 /nfs/dbraw/zinc/38/80/74/1066388074.db2.gz WVMHRNSFLDFYRY-GCJKJVERSA-N 1 0 452.578 4.094 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)C2)c1 ZINC001492523306 1066394387 /nfs/dbraw/zinc/39/43/87/1066394387.db2.gz NNVCZJZYGGNCDD-WHCXKFMVSA-N 1 0 466.674 4.229 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)C[NH+](C)C)C[C@@H]1O ZINC001316480146 1066394458 /nfs/dbraw/zinc/39/44/58/1066394458.db2.gz KAGQQHBEVLQSFF-KDOFPFPSSA-N 1 0 484.870 4.156 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001316481865 1066397295 /nfs/dbraw/zinc/39/72/95/1066397295.db2.gz DKJDNQIUKQELKO-FQEVSTJZSA-N 1 0 470.637 4.190 20 0 JIADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1F ZINC001316487250 1066409537 /nfs/dbraw/zinc/40/95/37/1066409537.db2.gz KALRLBYBDPLKIT-UIAACRFSSA-N 1 0 491.036 4.020 20 0 JIADRO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492527818 1066424655 /nfs/dbraw/zinc/42/46/55/1066424655.db2.gz UQVIDOCJEFHKFQ-UHFFFAOYSA-N 1 0 466.605 4.253 20 0 JIADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C[C@H](c2ccc(F)cc2)O1 ZINC001316490527 1066424907 /nfs/dbraw/zinc/42/49/07/1066424907.db2.gz YUQBCRMESFYACK-DENIHFKCSA-N 1 0 473.637 4.083 20 0 JIADRO C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C[C@@H]1F ZINC001316492245 1066430331 /nfs/dbraw/zinc/43/03/31/1066430331.db2.gz GMAKABRQPOASAE-QAPCUYQASA-N 1 0 456.056 4.067 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCSC(F)(F)F ZINC001316492933 1066434142 /nfs/dbraw/zinc/43/41/42/1066434142.db2.gz WDBIHZFETFBRMP-OAHLLOKOSA-N 1 0 473.540 4.027 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 ZINC001316495810 1066443251 /nfs/dbraw/zinc/44/32/51/1066443251.db2.gz GFOINNBGXNZMCY-OAQYLSRUSA-N 1 0 461.658 4.087 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316498779 1066455555 /nfs/dbraw/zinc/45/55/55/1066455555.db2.gz DMMGODHLURCWGI-SHJAMOMRSA-N 1 0 465.564 4.342 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499030 1066456345 /nfs/dbraw/zinc/45/63/45/1066456345.db2.gz JIWAVAHLTJWRCH-XQBPLPMBSA-N 1 0 477.600 4.236 20 0 JIADRO Cc1cccc(CN(Cc2ccco2)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492531651 1066470936 /nfs/dbraw/zinc/47/09/36/1066470936.db2.gz FAZBKKBBWRYQMT-UHFFFAOYSA-N 1 0 478.641 4.210 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCCOC(F)(F)F ZINC001316503640 1066470881 /nfs/dbraw/zinc/47/08/81/1066470881.db2.gz BCXOSESYIVLWAO-INIZCTEOSA-N 1 0 487.954 4.215 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3Cc3ccnc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC001316503705 1066471882 /nfs/dbraw/zinc/47/18/82/1066471882.db2.gz CYSRZHCIFUZDRC-HDICACEKSA-N 1 0 494.606 4.363 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(C(F)(F)F)c1 ZINC001316504425 1066474034 /nfs/dbraw/zinc/47/40/34/1066474034.db2.gz LYUHOMWVRFQUCE-KRWDZBQOSA-N 1 0 465.564 4.332 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC001337928292 1066520308 /nfs/dbraw/zinc/52/03/08/1066520308.db2.gz BJKQOOOPQJLUKE-UHFFFAOYSA-N 1 0 457.372 4.022 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCOCC(F)F ZINC001316522242 1066529768 /nfs/dbraw/zinc/52/97/68/1066529768.db2.gz NNTIQTLPQGNLTE-INIZCTEOSA-N 1 0 471.955 4.332 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001338242722 1066539340 /nfs/dbraw/zinc/53/93/40/1066539340.db2.gz PCGDXAOTUPVDPO-CQSZACIVSA-N 1 0 454.924 4.495 20 0 JIADRO F[C@H]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001316526415 1066541725 /nfs/dbraw/zinc/54/17/25/1066541725.db2.gz JMCQVUDONLBWDS-PMACEKPBSA-N 1 0 475.575 4.240 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCO2)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001338312775 1066546691 /nfs/dbraw/zinc/54/66/91/1066546691.db2.gz ZQOAWBKSRVEOFY-UHFFFAOYSA-O 1 0 498.606 4.145 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)CC1 ZINC001338476245 1066558288 /nfs/dbraw/zinc/55/82/88/1066558288.db2.gz KBYQOYGRAIPSOT-QFIPXVFZSA-N 1 0 463.651 4.133 20 0 JIADRO NC(=O)CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001316547479 1066564715 /nfs/dbraw/zinc/56/47/15/1066564715.db2.gz JNWMSGVJLZXKKI-UHFFFAOYSA-N 1 0 491.105 4.192 20 0 JIADRO COc1cc(C[NH2+]Cc2cc(I)c(OC)c(OC)c2)cc(Cl)c1OC ZINC001338752394 1066570822 /nfs/dbraw/zinc/57/08/22/1066570822.db2.gz YYZRNHGCLYMSIC-UHFFFAOYSA-N 1 0 477.726 4.269 20 0 JIADRO CCOc1c(Br)cc(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1Br ZINC001338757029 1066571549 /nfs/dbraw/zinc/57/15/49/1066571549.db2.gz YBXJXDYRKRFDFD-ZDUSSCGKSA-N 1 0 462.226 4.349 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)C)CC2)c1 ZINC001492534672 1066581334 /nfs/dbraw/zinc/58/13/34/1066581334.db2.gz JUIYPOIIYUPTNJ-UHFFFAOYSA-N 1 0 455.006 4.049 20 0 JIADRO Cc1cccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CC2)c1C ZINC001492535269 1066584352 /nfs/dbraw/zinc/58/43/52/1066584352.db2.gz GJGDZYFZDLEIJV-DEOSSOPVSA-N 1 0 454.663 4.193 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492537467 1066593759 /nfs/dbraw/zinc/59/37/59/1066593759.db2.gz YZWFIPPHCWVQKY-GGAORHGYSA-N 1 0 467.614 4.313 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492537629 1066594078 /nfs/dbraw/zinc/59/40/78/1066594078.db2.gz DHNQMMZVPAZHEJ-ROUUACIJSA-N 1 0 469.552 4.052 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492537604 1066594481 /nfs/dbraw/zinc/59/44/81/1066594481.db2.gz CSPDYWBGDRRFFC-DVECYGJZSA-N 1 0 486.711 4.299 20 0 JIADRO OCCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001316586685 1066611177 /nfs/dbraw/zinc/61/11/77/1066611177.db2.gz BFBPMGYMLWRNSO-SFHVURJKSA-N 1 0 480.426 4.074 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001492541015 1066642695 /nfs/dbraw/zinc/64/26/95/1066642695.db2.gz BGACUHITLUFOMA-DEOSSOPVSA-N 1 0 497.606 4.426 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492541140 1066643717 /nfs/dbraw/zinc/64/37/17/1066643717.db2.gz FGRAWXUAMFBRIQ-HSZRJFAPSA-N 1 0 479.673 4.259 20 0 JIADRO COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2)cc1 ZINC001317718635 1066646616 /nfs/dbraw/zinc/64/66/16/1066646616.db2.gz BSQLDEVJNHKDEF-SFHVURJKSA-N 1 0 494.057 4.168 20 0 JIADRO CCc1cc[n+](C(C(=O)c2cccs2)C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC001317736965 1066657084 /nfs/dbraw/zinc/65/70/84/1066657084.db2.gz CHMHGSXKJGUDNK-UHFFFAOYSA-O 1 0 474.653 4.172 20 0 JIADRO COC(=O)c1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(Cl)c1 ZINC001347729815 1066690954 /nfs/dbraw/zinc/69/09/54/1066690954.db2.gz YTYZUAWSRZLWGB-LEWJYISDSA-N 1 0 450.922 4.343 20 0 JIADRO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)CC2)c(C)c1 ZINC001317804020 1066698619 /nfs/dbraw/zinc/69/86/19/1066698619.db2.gz SOEODNBMJXSKOV-UHFFFAOYSA-N 1 0 469.651 4.247 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3csc(COc4ccccc4)n3)c(C)c2)CC1 ZINC001347796968 1066701106 /nfs/dbraw/zinc/70/11/06/1066701106.db2.gz JZYQUWMBMPJBDE-UHFFFAOYSA-N 1 0 450.608 4.354 20 0 JIADRO Cc1cc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317833883 1066719264 /nfs/dbraw/zinc/71/92/64/1066719264.db2.gz OJTAACBHHSGZSQ-UHFFFAOYSA-N 1 0 496.965 4.168 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001317834604 1066720297 /nfs/dbraw/zinc/72/02/97/1066720297.db2.gz HMLWVPUTOBDTCK-UHFFFAOYSA-N 1 0 481.662 4.201 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)c(C)c2)CC1 ZINC001317867882 1066743579 /nfs/dbraw/zinc/74/35/79/1066743579.db2.gz ZBPPBEGHRCPAPX-UHFFFAOYSA-N 1 0 486.389 4.477 20 0 JIADRO CS(=O)(=O)Nc1ccccc1CNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001317878409 1066749557 /nfs/dbraw/zinc/74/95/57/1066749557.db2.gz HKLURRNFJCDHIT-UHFFFAOYSA-N 1 0 492.645 4.320 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001492545688 1066755752 /nfs/dbraw/zinc/75/57/52/1066755752.db2.gz NRBKYGKGJBRPKY-HSZRJFAPSA-N 1 0 496.700 4.029 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)c2)n1 ZINC001317893610 1066763876 /nfs/dbraw/zinc/76/38/76/1066763876.db2.gz QVYUVPBEWBMJSM-XMMPIXPASA-N 1 0 477.565 4.016 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)c2)n1 ZINC001317893609 1066763900 /nfs/dbraw/zinc/76/39/00/1066763900.db2.gz QVYUVPBEWBMJSM-DEOSSOPVSA-N 1 0 477.565 4.016 20 0 JIADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CC[NH+](C(C)(C)C)CC3)c2)c1C(F)(F)F ZINC001317907368 1066777840 /nfs/dbraw/zinc/77/78/40/1066777840.db2.gz UBWKLEPRFPODGT-UHFFFAOYSA-N 1 0 467.492 4.016 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001317927808 1066791078 /nfs/dbraw/zinc/79/10/78/1066791078.db2.gz XDWJEKNUWSELFQ-UHFFFAOYSA-N 1 0 454.372 4.311 20 0 JIADRO COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)c2)cc1 ZINC001317946604 1066804218 /nfs/dbraw/zinc/80/42/18/1066804218.db2.gz UBNGGTKCSLVAIM-UHFFFAOYSA-N 1 0 493.629 4.153 20 0 JIADRO CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001349138309 1066813568 /nfs/dbraw/zinc/81/35/68/1066813568.db2.gz JIKQEMJKTMUZTA-RRPNLBNLSA-N 1 0 455.602 4.229 20 0 JIADRO O=C(CCN1C(=O)CCc2ccccc21)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001349161016 1066816363 /nfs/dbraw/zinc/81/63/63/1066816363.db2.gz QDKUBSAEQUYAEC-UHFFFAOYSA-N 1 0 459.512 4.109 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC001317999252 1066841882 /nfs/dbraw/zinc/84/18/82/1066841882.db2.gz BONBCVLMUWULHY-LOYIFYEOSA-N 1 0 487.648 4.417 20 0 JIADRO COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1OC ZINC001318011232 1066850692 /nfs/dbraw/zinc/85/06/92/1066850692.db2.gz OQPXLSHPHJWCOF-UHFFFAOYSA-N 1 0 488.588 4.269 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cccn3ncc(Br)c23)[NH+]2CCCCC2)cc1 ZINC001349593298 1066858193 /nfs/dbraw/zinc/85/81/93/1066858193.db2.gz HJXVJGKXNVYHEH-HXUWFJFHSA-N 1 0 457.372 4.062 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cnn3cccc(Br)c23)[NH+]2CCCCC2)cc1 ZINC001349592998 1066858272 /nfs/dbraw/zinc/85/82/72/1066858272.db2.gz FKWIVLHKZHFTTC-HXUWFJFHSA-N 1 0 457.372 4.062 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2cccc(OC)c2)CC1)c1cccc(OC)c1 ZINC001318027137 1066859127 /nfs/dbraw/zinc/85/91/27/1066859127.db2.gz HNVHVBGACPLBDN-RUZDIDTESA-N 1 0 454.615 4.055 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)c3ccccc3I)c2)C1 ZINC001318046646 1066870027 /nfs/dbraw/zinc/87/00/27/1066870027.db2.gz OXCUTIDMPKCKIV-MRXNPFEDSA-N 1 0 491.373 4.005 20 0 JIADRO COc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061793 1066878846 /nfs/dbraw/zinc/87/88/46/1066878846.db2.gz PFZILHOXNNIEAO-WFIHMLKPSA-N 1 0 461.606 4.185 20 0 JIADRO O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318063980 1066881058 /nfs/dbraw/zinc/88/10/58/1066881058.db2.gz GBNXSGDAGASVHR-OAQYLSRUSA-N 1 0 469.561 4.001 20 0 JIADRO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349806042 1066884998 /nfs/dbraw/zinc/88/49/98/1066884998.db2.gz CWDXMTYTNKOHNJ-GGXMVOPNSA-N 1 0 471.601 4.182 20 0 JIADRO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1-c1ccccc1 ZINC001318077413 1066887631 /nfs/dbraw/zinc/88/76/31/1066887631.db2.gz JHTLGGVMLCHMHX-QHCPKHFHSA-N 1 0 470.617 4.432 20 0 JIADRO O=C(CCOc1cc(Cl)ccc1Cl)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001318082533 1066890347 /nfs/dbraw/zinc/89/03/47/1066890347.db2.gz OJPFPMYNACVLAS-IBGZPJMESA-N 1 0 477.436 4.218 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001318084007 1066892016 /nfs/dbraw/zinc/89/20/16/1066892016.db2.gz FSFACAFPZOEZLD-SFHVURJKSA-N 1 0 453.587 4.014 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC001349911545 1066895579 /nfs/dbraw/zinc/89/55/79/1066895579.db2.gz SZSULYCHBNZUQK-UHFFFAOYSA-N 1 0 454.596 4.270 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC001318097037 1066897902 /nfs/dbraw/zinc/89/79/02/1066897902.db2.gz OIWNRPTVNVZRMK-UHFFFAOYSA-N 1 0 453.402 4.170 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2)CC1 ZINC001349931389 1066898202 /nfs/dbraw/zinc/89/82/02/1066898202.db2.gz VYMKFQSJKUGABM-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)c(C)c1C ZINC001318108578 1066903878 /nfs/dbraw/zinc/90/38/78/1066903878.db2.gz VQKZIVHZDPTMPZ-XMMPIXPASA-N 1 0 469.651 4.340 20 0 JIADRO C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318111996 1066905606 /nfs/dbraw/zinc/90/56/06/1066905606.db2.gz SBJXASOXBAYFCZ-AWEZNQCLSA-N 1 0 484.797 4.250 20 0 JIADRO COc1ccc(C)cc1N1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1=O ZINC001350062634 1066911161 /nfs/dbraw/zinc/91/11/61/1066911161.db2.gz QWHGIIIRXMCYBF-FPOVZHCZSA-N 1 0 455.624 4.007 20 0 JIADRO COc1ccc([C@H](CNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[NH+](C)C)cc1OC ZINC001318136440 1066918293 /nfs/dbraw/zinc/91/82/93/1066918293.db2.gz NOZATCMXJPUDQZ-NRFANRHFSA-N 1 0 461.006 4.246 20 0 JIADRO COC[C@@H](C)n1c(SCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)nnc1-c1ccccc1 ZINC001318170540 1066937431 /nfs/dbraw/zinc/93/74/31/1066937431.db2.gz WWGAPZDQZMACTN-LJQANCHMSA-N 1 0 465.623 4.479 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1 ZINC001350351221 1066946230 /nfs/dbraw/zinc/94/62/30/1066946230.db2.gz GHVNGWHPSHPGDM-XFXZXTDPSA-N 1 0 455.356 4.227 20 0 JIADRO CCc1c(C(=O)C(C(=S)NCc2ccc(S(N)(=O)=O)cc2)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC001318186383 1066946197 /nfs/dbraw/zinc/94/61/97/1066946197.db2.gz AVZSTBCBCBWMSA-UHFFFAOYSA-O 1 0 499.638 4.255 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NCc3cccc(C[NH+]4CCC(C)CC4)c3)CC2)c1 ZINC001318225816 1066969981 /nfs/dbraw/zinc/96/99/81/1066969981.db2.gz HWMJRFPQNBAWOQ-UHFFFAOYSA-N 1 0 450.627 4.395 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCCC(F)(F)F)c1 ZINC001492547996 1066977576 /nfs/dbraw/zinc/97/75/76/1066977576.db2.gz PKVBCBIIXFIRLU-UHFFFAOYSA-N 1 0 481.563 4.057 20 0 JIADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001350608830 1066979156 /nfs/dbraw/zinc/97/91/56/1066979156.db2.gz KKDDYACPYKTQPJ-UHFFFAOYSA-N 1 0 457.640 4.348 20 0 JIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001318251681 1066984592 /nfs/dbraw/zinc/98/45/92/1066984592.db2.gz JKPBFWQKKYEYKX-UHFFFAOYSA-N 1 0 472.614 4.407 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492548150 1066987810 /nfs/dbraw/zinc/98/78/10/1066987810.db2.gz SVYJXTNDHITGOB-LVXARBLLSA-N 1 0 455.647 4.291 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001492548240 1066989835 /nfs/dbraw/zinc/98/98/35/1066989835.db2.gz WAONXJNUSGZNRA-QHCPKHFHSA-N 1 0 455.647 4.149 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)c2)CC1 ZINC001318278762 1066998769 /nfs/dbraw/zinc/99/87/69/1066998769.db2.gz MQEHGNFWALBRLU-UHFFFAOYSA-N 1 0 455.027 4.070 20 0 JIADRO COc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318283603 1067001481 /nfs/dbraw/zinc/00/14/81/1067001481.db2.gz OEDSCAIYFDEMJB-SANMLTNESA-N 1 0 450.627 4.270 20 0 JIADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318293474 1067005073 /nfs/dbraw/zinc/00/50/73/1067005073.db2.gz NCRPOPCFQHFPAY-UHFFFAOYSA-N 1 0 463.395 4.072 20 0 JIADRO CC[NH+](CC)CCn1c(NC(=O)c2cc(OC)c(Br)s2)nc2ccccc21 ZINC001350848243 1067008994 /nfs/dbraw/zinc/00/89/94/1067008994.db2.gz HMEPJGVJHZDCBU-UHFFFAOYSA-N 1 0 451.390 4.463 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001318310304 1067010972 /nfs/dbraw/zinc/01/09/72/1067010972.db2.gz FDAAKGNUPFNUHE-UHFFFAOYSA-N 1 0 452.437 4.013 20 0 JIADRO C[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311201 1067011629 /nfs/dbraw/zinc/01/16/29/1067011629.db2.gz NCNCTINXFJOYMC-NBGIEHNGSA-N 1 0 490.627 4.260 20 0 JIADRO C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311202 1067011696 /nfs/dbraw/zinc/01/16/96/1067011696.db2.gz NCNCTINXFJOYMC-NLFFAJNJSA-N 1 0 490.627 4.260 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC ZINC001318312921 1067012497 /nfs/dbraw/zinc/01/24/97/1067012497.db2.gz YCAMZFCQKHTSCM-JOCHJYFZSA-N 1 0 460.578 4.257 20 0 JIADRO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001318314782 1067013416 /nfs/dbraw/zinc/01/34/16/1067013416.db2.gz DWFRZRVZKAXAMB-UHFFFAOYSA-N 1 0 488.632 4.368 20 0 JIADRO COc1ccc([C@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC001318327835 1067019273 /nfs/dbraw/zinc/01/92/73/1067019273.db2.gz ZIJLOIFQXCXCJW-AREMUKBSSA-N 1 0 462.569 4.175 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300684352 1067023171 /nfs/dbraw/zinc/02/31/71/1067023171.db2.gz UDTORUSUESPAIU-CTNGQTDRSA-N 1 0 473.687 4.315 20 0 JIADRO C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001350954782 1067024660 /nfs/dbraw/zinc/02/46/60/1067024660.db2.gz RXSFUZQVJQFAAC-SFHVURJKSA-N 1 0 450.608 4.259 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300687120 1067030043 /nfs/dbraw/zinc/03/00/43/1067030043.db2.gz LJLDNOWFXWJADV-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO O=C(NCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1C(F)(F)F ZINC001318371679 1067032938 /nfs/dbraw/zinc/03/29/38/1067032938.db2.gz KAQWZYVULKIGKZ-UHFFFAOYSA-N 1 0 467.289 4.173 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300688599 1067033253 /nfs/dbraw/zinc/03/32/53/1067033253.db2.gz VWGYARYMMWNMEJ-NRFANRHFSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccc(-c2csc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1F ZINC001351037833 1067036395 /nfs/dbraw/zinc/03/63/95/1067036395.db2.gz ZZYSYNYFFGQGFJ-UHFFFAOYSA-N 1 0 454.571 4.499 20 0 JIADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318389967 1067036482 /nfs/dbraw/zinc/03/64/82/1067036482.db2.gz BJRPVXRPCBZGCO-UHFFFAOYSA-N 1 0 465.413 4.238 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cc(C(F)(F)F)nn1C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001351066878 1067040060 /nfs/dbraw/zinc/04/00/60/1067040060.db2.gz AVTICYAIVVGTCF-UHFFFAOYSA-N 1 0 458.506 4.089 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492548636 1067040718 /nfs/dbraw/zinc/04/07/18/1067040718.db2.gz HCTBHFDIEVSSFM-RPWUZVMVSA-N 1 0 487.714 4.100 20 0 JIADRO CCOc1c(Br)cc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc1OC ZINC001318419903 1067041252 /nfs/dbraw/zinc/04/12/52/1067041252.db2.gz SIQSJXALQJLMSL-UHFFFAOYSA-N 1 0 475.305 4.395 20 0 JIADRO CC1=C(C(=O)N(C)C)[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)NC(=S)N1c1ccc(F)cc1 ZINC001318438642 1067043426 /nfs/dbraw/zinc/04/34/26/1067043426.db2.gz AEGGGPXZNNPEFM-XMMPIXPASA-N 1 0 482.625 4.098 20 0 JIADRO CC(=O)N[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC001318478746 1067047759 /nfs/dbraw/zinc/04/77/59/1067047759.db2.gz OBHFADJGYNJNKJ-HSZRJFAPSA-N 1 0 472.427 4.059 20 0 JIADRO CN(C(=O)CSc1ccccc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC001318494936 1067048675 /nfs/dbraw/zinc/04/86/75/1067048675.db2.gz WGPKAYLWRKUFIP-UHFFFAOYSA-N 1 0 494.705 4.252 20 0 JIADRO COc1ccncc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001300696727 1067054309 /nfs/dbraw/zinc/05/43/09/1067054309.db2.gz HNZSNLSBCGBUFY-OAQYLSRUSA-N 1 0 459.953 4.299 20 0 JIADRO COc1ccncc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001300696698 1067054340 /nfs/dbraw/zinc/05/43/40/1067054340.db2.gz GVWBDTHYLAUSNA-CEXWTWQISA-N 1 0 470.618 4.079 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001318769588 1067059094 /nfs/dbraw/zinc/05/90/94/1067059094.db2.gz JXCNMRIBILSYHH-HXUWFJFHSA-N 1 0 458.628 4.288 20 0 JIADRO Cc1csc([C@H]2CN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001492549119 1067070144 /nfs/dbraw/zinc/07/01/44/1067070144.db2.gz RKXCIUUKLAMEJH-OAQYLSRUSA-N 1 0 484.670 4.096 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC001351299190 1067073241 /nfs/dbraw/zinc/07/32/41/1067073241.db2.gz ZOOBSDKUJRLKCN-DQVLVPHSSA-N 1 0 450.023 4.175 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001545692154 1067074759 /nfs/dbraw/zinc/07/47/59/1067074759.db2.gz PDIZLDHCBIZMAN-ZRBLBEILSA-N 1 0 466.674 4.341 20 0 JIADRO COc1ncccc1Cn1c(CCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300711681 1067085724 /nfs/dbraw/zinc/08/57/24/1067085724.db2.gz NDVJGRYALTVZIE-UHFFFAOYSA-N 1 0 462.642 4.073 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 ZINC001320749202 1067092358 /nfs/dbraw/zinc/09/23/58/1067092358.db2.gz JZTKOHRQCNDCJJ-QGZVFWFLSA-N 1 0 471.577 4.153 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(I)ccc1F ZINC001351445319 1067095668 /nfs/dbraw/zinc/09/56/68/1067095668.db2.gz BDPUVICSOFBVMD-UHFFFAOYSA-N 1 0 452.311 4.346 20 0 JIADRO C[N@@H+]1C[C@H]2CCCN(C(=S)Nc3c(F)cc(Br)cc3Br)[C@@H]2C1 ZINC001200798431 1067173679 /nfs/dbraw/zinc/17/36/79/1067173679.db2.gz BFXZLGSMOKLHSU-NOZJJQNGSA-N 1 0 451.203 4.074 20 0 JIADRO CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001321630585 1067183279 /nfs/dbraw/zinc/18/32/79/1067183279.db2.gz ZDWFMXRHPXRHDH-QFIPXVFZSA-N 1 0 460.578 4.092 20 0 JIADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001351738872 1067184132 /nfs/dbraw/zinc/18/41/32/1067184132.db2.gz SLRKDCVGXXOCMG-OAQYLSRUSA-N 1 0 452.426 4.323 20 0 JIADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001351738867 1067184521 /nfs/dbraw/zinc/18/45/21/1067184521.db2.gz SLRKDCVGXXOCMG-NRFANRHFSA-N 1 0 452.426 4.323 20 0 JIADRO CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CCCCC2)CCO1 ZINC001321641175 1067187773 /nfs/dbraw/zinc/18/77/73/1067187773.db2.gz YQCVJNDNDDNRLW-HXUWFJFHSA-N 1 0 453.631 4.266 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)CC2)c1 ZINC001321718605 1067202917 /nfs/dbraw/zinc/20/29/17/1067202917.db2.gz SQFCEYMTVRLQHC-QHCPKHFHSA-N 1 0 474.653 4.363 20 0 JIADRO O=C(NCc1cc(Cl)ccc1I)c1ccc(C[NH+]2CCCC2)cc1 ZINC001300737433 1067205365 /nfs/dbraw/zinc/20/53/65/1067205365.db2.gz ADBHTFSEOBWOOT-UHFFFAOYSA-N 1 0 454.739 4.470 20 0 JIADRO C[N@@H+]1CC[C@]2(CCN(C(=S)Nc3c(F)cc(Br)cc3Br)C2)C1 ZINC001200802144 1067207070 /nfs/dbraw/zinc/20/70/70/1067207070.db2.gz RWZMBFQBRQNYDX-HNNXBMFYSA-N 1 0 451.203 4.075 20 0 JIADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CC[NH+](C(C)(C)C)CC3)cc2)c1C(F)(F)F ZINC001321828289 1067215914 /nfs/dbraw/zinc/21/59/14/1067215914.db2.gz VYPZHLRXYYJTOF-UHFFFAOYSA-N 1 0 467.492 4.016 20 0 JIADRO COc1cc(-c2noc(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)n2)cc(Cl)c1OC ZINC001321841540 1067217230 /nfs/dbraw/zinc/21/72/30/1067217230.db2.gz UOUCNDPICHHYDL-UHFFFAOYSA-N 1 0 499.999 4.039 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC001354878500 1067236418 /nfs/dbraw/zinc/23/64/18/1067236418.db2.gz TZFLZZDUJDYACF-FCHUYYIVSA-N 1 0 450.465 4.459 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492550033 1067254391 /nfs/dbraw/zinc/25/43/91/1067254391.db2.gz WAWJSMNCLXSNAY-YYDVJCTNSA-N 1 0 479.641 4.330 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001200810300 1067258500 /nfs/dbraw/zinc/25/85/00/1067258500.db2.gz JXYXIYQIXUOVDI-UHFFFAOYSA-N 1 0 483.469 4.108 20 0 JIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001322351014 1067281264 /nfs/dbraw/zinc/28/12/64/1067281264.db2.gz SBXHRFHJOWNAAK-GUDVDZBRSA-N 1 0 459.612 4.370 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)CC2)cc1 ZINC001322351747 1067282256 /nfs/dbraw/zinc/28/22/56/1067282256.db2.gz UQIASMISPSEUJL-UHFFFAOYSA-N 1 0 483.616 4.453 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300756613 1067284486 /nfs/dbraw/zinc/28/44/86/1067284486.db2.gz YAZFCBRDUPMKDP-DENIHFKCSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300756849 1067285252 /nfs/dbraw/zinc/28/52/52/1067285252.db2.gz ZMJLBYBGFHKBKB-OFNKIYASSA-N 1 0 459.610 4.294 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001322423600 1067290604 /nfs/dbraw/zinc/29/06/04/1067290604.db2.gz LQLBZWORDHCIGA-UHFFFAOYSA-N 1 0 473.459 4.318 20 0 JIADRO C[C@@H]1Oc2ccc(C(=O)C(C(=S)NCC3CCC3)[n+]3ccc4c(c3)CCCC4)cc2NC1=O ZINC001322424484 1067290755 /nfs/dbraw/zinc/29/07/55/1067290755.db2.gz UUSYXLCLPALOKY-INIZCTEOSA-O 1 0 464.611 4.173 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)CC1 ZINC001322425380 1067291545 /nfs/dbraw/zinc/29/15/45/1067291545.db2.gz ZGOVQECWLPDKGD-UHFFFAOYSA-N 1 0 457.578 4.008 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300758899 1067293614 /nfs/dbraw/zinc/29/36/14/1067293614.db2.gz YHRFNPVUQNIQRD-SJLPKXTDSA-N 1 0 479.448 4.015 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc2c(cc1Br)OCO2 ZINC001352131852 1067295683 /nfs/dbraw/zinc/29/56/83/1067295683.db2.gz FFZGPJKMAAFNHH-UHFFFAOYSA-N 1 0 459.344 4.122 20 0 JIADRO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCc3ccccc3N3CC[NH+](C)CC3)c2)c1 ZINC001322480839 1067298695 /nfs/dbraw/zinc/29/86/95/1067298695.db2.gz LJKZOMCQCNXWEX-UHFFFAOYSA-N 1 0 486.620 4.390 20 0 JIADRO COCCOCc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1F ZINC001352212328 1067310909 /nfs/dbraw/zinc/31/09/09/1067310909.db2.gz GCAOCDKNWWSWTO-UHFFFAOYSA-N 1 0 457.546 4.056 20 0 JIADRO CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC001352213393 1067311768 /nfs/dbraw/zinc/31/17/68/1067311768.db2.gz SMMFEZDEDXABTN-UHFFFAOYSA-N 1 0 458.603 4.135 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300771578 1067319966 /nfs/dbraw/zinc/31/99/66/1067319966.db2.gz COZXNPRRHJQBDK-XQBPLPMBSA-N 1 0 462.038 4.246 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001300772741 1067323377 /nfs/dbraw/zinc/32/33/77/1067323377.db2.gz LXDMMZMRCUVDFX-RBBKRZOGSA-N 1 0 469.655 4.454 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001492495785 1067327309 /nfs/dbraw/zinc/32/73/09/1067327309.db2.gz FPYMPFLFLHDWEL-UXHICEINSA-N 1 0 454.644 4.408 20 0 JIADRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001355000519 1067330580 /nfs/dbraw/zinc/33/05/80/1067330580.db2.gz UDCIKOGVIXRIMC-NXCFDTQHSA-N 1 0 477.004 4.456 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300000857 1067337684 /nfs/dbraw/zinc/33/76/84/1067337684.db2.gz MMHGLDVBTIIFGU-MRXNPFEDSA-N 1 0 469.533 4.325 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300000864 1067337882 /nfs/dbraw/zinc/33/78/82/1067337882.db2.gz MUCYWFYBUODMQL-QFIPXVFZSA-N 1 0 479.673 4.308 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300001504 1067340190 /nfs/dbraw/zinc/34/01/90/1067340190.db2.gz CGOAMPKCHAPJJI-LJQANCHMSA-N 1 0 453.587 4.312 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001300783330 1067340832 /nfs/dbraw/zinc/34/08/32/1067340832.db2.gz BHQQZXCSVIQHTR-VXKWHMMOSA-N 1 0 490.693 4.231 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001300784574 1067344045 /nfs/dbraw/zinc/34/40/45/1067344045.db2.gz KKQLMEGSGGMCGX-UNMCSNQZSA-N 1 0 485.673 4.149 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300002866 1067344905 /nfs/dbraw/zinc/34/49/05/1067344905.db2.gz OZRXRJIBWKBDPC-CQSZACIVSA-N 1 0 464.433 4.364 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300003182 1067346564 /nfs/dbraw/zinc/34/65/64/1067346564.db2.gz QNKFHFWXNZZDOF-QGZVFWFLSA-N 1 0 470.643 4.096 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300003412 1067347024 /nfs/dbraw/zinc/34/70/24/1067347024.db2.gz UBZFNHIMIQCRDS-GOSISDBHSA-N 1 0 485.032 4.379 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001300785928 1067348033 /nfs/dbraw/zinc/34/80/33/1067348033.db2.gz SLQUAAITGPTOGO-MOPGFXCFSA-N 1 0 491.677 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300785930 1067348134 /nfs/dbraw/zinc/34/81/34/1067348134.db2.gz SLQUAAITGPTOGO-OALUTQOASA-N 1 0 491.677 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC001300786389 1067348788 /nfs/dbraw/zinc/34/87/88/1067348788.db2.gz QASKWVRXJKREKM-NRFANRHFSA-N 1 0 471.694 4.103 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001300787446 1067351060 /nfs/dbraw/zinc/35/10/60/1067351060.db2.gz UIAOOMNFTWTXCO-NRFANRHFSA-N 1 0 487.714 4.241 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300006787 1067356275 /nfs/dbraw/zinc/35/62/75/1067356275.db2.gz QNLABCNGTAMMKQ-GOSISDBHSA-N 1 0 470.643 4.176 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cc1 ZINC001355055908 1067365162 /nfs/dbraw/zinc/36/51/62/1067365162.db2.gz WNUQBKJEEDASEL-UHFFFAOYSA-N 1 0 453.974 4.158 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793696 1067366091 /nfs/dbraw/zinc/36/60/91/1067366091.db2.gz ALNYVCXRXIDEFU-AVRDEDQJSA-N 1 0 494.503 4.006 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300015809 1067374289 /nfs/dbraw/zinc/37/42/89/1067374289.db2.gz YPCDFWIQLVQIRI-OAQYLSRUSA-N 1 0 461.676 4.272 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300016503 1067375929 /nfs/dbraw/zinc/37/59/29/1067375929.db2.gz BYKISWLDZNGKKO-JAXLGGSGSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300018521 1067381569 /nfs/dbraw/zinc/38/15/69/1067381569.db2.gz INFCWTFJVKKEEA-FQEVSTJZSA-N 1 0 485.673 4.477 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300022049 1067387407 /nfs/dbraw/zinc/38/74/07/1067387407.db2.gz PKOPMDOVNWNQNJ-IYBDPMFKSA-N 1 0 450.425 4.149 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC001300022933 1067390595 /nfs/dbraw/zinc/39/05/95/1067390595.db2.gz HHTYXQTYKMHUMF-LQWHRVPQSA-N 1 0 453.587 4.483 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c1 ZINC001355235417 1067393346 /nfs/dbraw/zinc/39/33/46/1067393346.db2.gz HDMFKJVKLOWDOE-UHFFFAOYSA-N 1 0 453.974 4.158 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026819 1067399653 /nfs/dbraw/zinc/39/96/53/1067399653.db2.gz FRNQBCGJGFISPS-QUCCMNQESA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300028088 1067404217 /nfs/dbraw/zinc/40/42/17/1067404217.db2.gz ZJRORGQMFAQRDF-GOSISDBHSA-N 1 0 479.547 4.153 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(NC(=O)OC)cc(C(F)(F)F)c3)cc2)CC1 ZINC001355287351 1067405199 /nfs/dbraw/zinc/40/51/99/1067405199.db2.gz JBECVZIDFNKTHT-UHFFFAOYSA-N 1 0 450.461 4.278 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300032704 1067428612 /nfs/dbraw/zinc/42/86/12/1067428612.db2.gz IJWBRXACSACGNP-INIZCTEOSA-N 1 0 490.446 4.324 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001300033236 1067431078 /nfs/dbraw/zinc/43/10/78/1067431078.db2.gz IWSJIWBRRKKLMY-RTBURBONSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001300036892 1067446080 /nfs/dbraw/zinc/44/60/80/1067446080.db2.gz UQPOTZGXSZYHQU-ZWKOTPCHSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300036929 1067446866 /nfs/dbraw/zinc/44/68/66/1067446866.db2.gz VIDGWVHGXICNSR-JKSUJKDBSA-N 1 0 462.436 4.435 20 0 JIADRO CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)ccc2C)cc1 ZINC001300038151 1067451180 /nfs/dbraw/zinc/45/11/80/1067451180.db2.gz BBIRGDGHYFHLIN-UHGJSFDGSA-N 1 0 457.640 4.208 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001300040088 1067458439 /nfs/dbraw/zinc/45/84/39/1067458439.db2.gz DLIBLWSTQRLSKU-HHHXNRCGSA-N 1 0 469.674 4.452 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1OC ZINC001300040185 1067459355 /nfs/dbraw/zinc/45/93/55/1067459355.db2.gz HZPVWVDCMORVQJ-OFNKIYASSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300041952 1067476636 /nfs/dbraw/zinc/47/66/36/1067476636.db2.gz WVBCYIALDNWEDD-JOCHJYFZSA-N 1 0 498.480 4.299 20 0 JIADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)C1 ZINC001355493697 1067488416 /nfs/dbraw/zinc/48/84/16/1067488416.db2.gz MKWICROGSBKUMB-SFHVURJKSA-N 1 0 456.612 4.449 20 0 JIADRO CN1C(=O)C[C@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001355525075 1067498876 /nfs/dbraw/zinc/49/88/76/1067498876.db2.gz GHLLFZJVDLZMHI-LAUBAEHRSA-N 1 0 450.366 4.092 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001355525077 1067499135 /nfs/dbraw/zinc/49/91/35/1067499135.db2.gz GHLLFZJVDLZMHI-UTKZUKDTSA-N 1 0 450.366 4.092 20 0 JIADRO CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355528532 1067500634 /nfs/dbraw/zinc/50/06/34/1067500634.db2.gz DSBHRVZATXPHTO-ZEQRLZLVSA-N 1 0 451.611 4.418 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300051182 1067513773 /nfs/dbraw/zinc/51/37/73/1067513773.db2.gz DBRQWJZCPQLENO-IBVKSMDESA-N 1 0 471.646 4.090 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001355582410 1067517319 /nfs/dbraw/zinc/51/73/19/1067517319.db2.gz VWUMSSLHNPSQBR-HROJSSOGSA-N 1 0 452.599 4.244 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300051838 1067519139 /nfs/dbraw/zinc/51/91/39/1067519139.db2.gz QSQZENQPJQXDMS-PXDATVDWSA-N 1 0 453.587 4.245 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300052133 1067521112 /nfs/dbraw/zinc/52/11/12/1067521112.db2.gz VTDVTMYRKKUOOD-HHHXNRCGSA-N 1 0 485.673 4.480 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001492582251 1067523738 /nfs/dbraw/zinc/52/37/38/1067523738.db2.gz BJGQLEZFMRRSBD-UHFFFAOYSA-N 1 0 496.700 4.403 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300052599 1067523807 /nfs/dbraw/zinc/52/38/07/1067523807.db2.gz CEGWYBWHSQYLMQ-GOTSBHOMSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052903 1067525193 /nfs/dbraw/zinc/52/51/93/1067525193.db2.gz FLSZLFMCWBWJHI-RTWAWAEBSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001492582484 1067526440 /nfs/dbraw/zinc/52/64/40/1067526440.db2.gz JKNFPLRRPJYVAZ-UHFFFAOYSA-N 1 0 487.574 4.196 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492582462 1067526628 /nfs/dbraw/zinc/52/66/28/1067526628.db2.gz IRUVLJKCKLUXRQ-FYYLOGMGSA-N 1 0 482.673 4.155 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001492582525 1067527488 /nfs/dbraw/zinc/52/74/88/1067527488.db2.gz KYBRKKQKQNFCAP-UHFFFAOYSA-N 1 0 480.657 4.496 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492582773 1067532812 /nfs/dbraw/zinc/53/28/12/1067532812.db2.gz SNQGYKSCDQEXHQ-WOJBJXKFSA-N 1 0 493.618 4.439 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c(OC)c1 ZINC001300057084 1067543566 /nfs/dbraw/zinc/54/35/66/1067543566.db2.gz SENPBRIEBWHJJX-IFMALSPDSA-N 1 0 471.646 4.086 20 0 JIADRO O[C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)COc1ccc(I)cc1 ZINC001200077592 1067545348 /nfs/dbraw/zinc/54/53/48/1067545348.db2.gz SXYZZGHEQNZQLD-HXUWFJFHSA-N 1 0 451.348 4.478 20 0 JIADRO O[C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)COc1ccc(I)cc1 ZINC001200077591 1067545365 /nfs/dbraw/zinc/54/53/65/1067545365.db2.gz SXYZZGHEQNZQLD-FQEVSTJZSA-N 1 0 451.348 4.478 20 0 JIADRO COC(=O)N1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001355670670 1067548065 /nfs/dbraw/zinc/54/80/65/1067548065.db2.gz YGKWCSVDPHTHAM-FQEVSTJZSA-N 1 0 458.430 4.387 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001200080708 1067558744 /nfs/dbraw/zinc/55/87/44/1067558744.db2.gz ZOGKEWSNZUBQNH-SANMLTNESA-N 1 0 453.652 4.109 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001355717019 1067561208 /nfs/dbraw/zinc/56/12/08/1067561208.db2.gz VYRDPSKEKUDXMD-DLBZAZTESA-N 1 0 453.027 4.360 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492584038 1067568507 /nfs/dbraw/zinc/56/85/07/1067568507.db2.gz CILADAZVXDFDOF-MVERNJQCSA-N 1 0 494.728 4.286 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 ZINC001352615362 1067581622 /nfs/dbraw/zinc/58/16/22/1067581622.db2.gz DACUSAXCGHNEBE-YKSBVNFPSA-N 1 0 457.640 4.063 20 0 JIADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001355868402 1067594973 /nfs/dbraw/zinc/59/49/73/1067594973.db2.gz PVVQWBNYRAXZIB-IMFGXOCKSA-N 1 0 454.396 4.193 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cc1 ZINC001355897433 1067601024 /nfs/dbraw/zinc/60/10/24/1067601024.db2.gz PKSMLEUYLAZUED-XANCMCCPSA-N 1 0 451.615 4.121 20 0 JIADRO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2=O ZINC001355898116 1067601598 /nfs/dbraw/zinc/60/15/98/1067601598.db2.gz QZLSKHFLJFKKLS-LJKQEARRSA-N 1 0 454.615 4.136 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC(C)C)cc1Br ZINC001300075805 1067602376 /nfs/dbraw/zinc/60/23/76/1067602376.db2.gz OZYHXZMTYPJQMB-LJQANCHMSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300076550 1067604134 /nfs/dbraw/zinc/60/41/34/1067604134.db2.gz UKLPZYGIYKYQKW-UGKGYDQZSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)SC)cc1 ZINC001300077200 1067606671 /nfs/dbraw/zinc/60/66/71/1067606671.db2.gz YGMLBUIICIILJH-OYRHEFFESA-N 1 0 486.730 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300078190 1067611847 /nfs/dbraw/zinc/61/18/47/1067611847.db2.gz GOZOWQCPASTRBI-WIYYLYMNSA-N 1 0 481.563 4.233 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cn3)cc2F)CC1 ZINC001352678295 1067620076 /nfs/dbraw/zinc/62/00/76/1067620076.db2.gz NMOYXWZCQAOUIU-UHFFFAOYSA-N 1 0 457.550 4.350 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001355970905 1067621749 /nfs/dbraw/zinc/62/17/49/1067621749.db2.gz FKYQRDPZLRUDPE-GHXNOFRVSA-N 1 0 458.484 4.161 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300088815 1067638532 /nfs/dbraw/zinc/63/85/32/1067638532.db2.gz LAPBEBFZPXPWEN-IFMALSPDSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300094052 1067655487 /nfs/dbraw/zinc/65/54/87/1067655487.db2.gz DDAACPQCIZUNBA-YKSBVNFPSA-N 1 0 459.660 4.198 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)cc1 ZINC001300106556 1067694100 /nfs/dbraw/zinc/69/41/00/1067694100.db2.gz ULLULABLANKYAD-HXUWFJFHSA-N 1 0 459.704 4.239 20 0 JIADRO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001356273486 1067714392 /nfs/dbraw/zinc/71/43/92/1067714392.db2.gz BLHNGOHYZRNKMY-YMSRPXOMSA-N 1 0 456.590 4.464 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300112905 1067716816 /nfs/dbraw/zinc/71/68/16/1067716816.db2.gz FZYXAUUMQAKKSB-FGZHOGPDSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300113685 1067719699 /nfs/dbraw/zinc/71/96/99/1067719699.db2.gz MDKXWMUSCVPIME-YGZVCBRSSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300114096 1067720586 /nfs/dbraw/zinc/72/05/86/1067720586.db2.gz POQVAOMWCPHUBG-SFTDATJTSA-N 1 0 471.715 4.382 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC001356352506 1067732938 /nfs/dbraw/zinc/73/29/38/1067732938.db2.gz NQVUPLJCKXXBRA-AWEZNQCLSA-N 1 0 452.343 4.360 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cn2c(Br)cnc2s1 ZINC001356352068 1067733185 /nfs/dbraw/zinc/73/31/85/1067733185.db2.gz KSTGDZDTCIYDQW-UHFFFAOYSA-N 1 0 451.415 4.268 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCC[C@@H](SC)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300122403 1067741000 /nfs/dbraw/zinc/74/10/00/1067741000.db2.gz APWMGDHAQPDJPQ-JOCHJYFZSA-N 1 0 459.704 4.382 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300122754 1067742372 /nfs/dbraw/zinc/74/23/72/1067742372.db2.gz JBUABMKJOKGXDD-ACHVPNTGSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CCC(OC)CC2)cc1 ZINC001300123824 1067745506 /nfs/dbraw/zinc/74/55/06/1067745506.db2.gz ZKXYCVLHJOLDFC-UHFFFAOYSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC[C@H]3C)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300125237 1067750127 /nfs/dbraw/zinc/75/01/27/1067750127.db2.gz CQWXWOGKIZOOIU-JOCHJYFZSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC[C@@H]3C)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300125238 1067750249 /nfs/dbraw/zinc/75/02/49/1067750249.db2.gz CQWXWOGKIZOOIU-QFIPXVFZSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300128163 1067760461 /nfs/dbraw/zinc/76/04/61/1067760461.db2.gz ILCREHUSVVMTCF-RTWAWAEBSA-N 1 0 457.688 4.278 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300128768 1067762415 /nfs/dbraw/zinc/76/24/15/1067762415.db2.gz VIUQORLNTXMQHK-DENIHFKCSA-N 1 0 457.688 4.134 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502152 1067765026 /nfs/dbraw/zinc/76/50/26/1067765026.db2.gz NJDZDKMSSBABBF-CEMLEFRQSA-N 1 0 451.636 4.178 20 0 JIADRO C[C@H]1C[C@@H](CCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC001356501371 1067765196 /nfs/dbraw/zinc/76/51/96/1067765196.db2.gz JHJYNCMTNQPTGA-PKOBYXMFSA-N 1 0 458.628 4.198 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300132101 1067769928 /nfs/dbraw/zinc/76/99/28/1067769928.db2.gz VEHFTGRKYAMLAN-QFIPXVFZSA-N 1 0 450.631 4.471 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300133152 1067772583 /nfs/dbraw/zinc/77/25/83/1067772583.db2.gz OKQANNBKWMPRIH-WMTXJRDZSA-N 1 0 469.674 4.370 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2c(C)onc2-c2cccnc2)ccc1Cl ZINC001356555561 1067778083 /nfs/dbraw/zinc/77/80/83/1067778083.db2.gz UOBRSMUUGBCTHZ-UHFFFAOYSA-N 1 0 455.946 4.022 20 0 JIADRO COc1ccc([C@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000849055898 1067786300 /nfs/dbraw/zinc/78/63/00/1067786300.db2.gz KRBMGWVCDMZFLL-BTYIYWSLSA-N 1 0 451.398 4.250 20 0 JIADRO COc1ccc(CCn2c(C(C)C)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC001300140480 1067789772 /nfs/dbraw/zinc/78/97/72/1067789772.db2.gz PDWXRSIFUCDZJV-IBGZPJMESA-N 1 0 476.463 4.480 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC001356612379 1067789777 /nfs/dbraw/zinc/78/97/77/1067789777.db2.gz KFILQHBRUDWQLV-UHFFFAOYSA-N 1 0 458.562 4.263 20 0 JIADRO COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1OC ZINC000849062301 1067792255 /nfs/dbraw/zinc/79/22/55/1067792255.db2.gz MXPXKYAFGRAIHI-OAQYLSRUSA-N 1 0 450.608 4.179 20 0 JIADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001356621399 1067793456 /nfs/dbraw/zinc/79/34/56/1067793456.db2.gz UPCSJGXYJSMXNA-KRWDZBQOSA-N 1 0 455.400 4.235 20 0 JIADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000849067892 1067795339 /nfs/dbraw/zinc/79/53/39/1067795339.db2.gz MDWBCOCFPLQOKK-AWEZNQCLSA-N 1 0 457.427 4.397 20 0 JIADRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000849067941 1067795488 /nfs/dbraw/zinc/79/54/88/1067795488.db2.gz DJMLUGALBFBXKK-UHFFFAOYSA-N 1 0 454.534 4.291 20 0 JIADRO COc1ccc(CCn2c(C3CCC3)nnc2N2CC[NH+](CC(C)C)CC2)cc1Br ZINC001300149308 1067804415 /nfs/dbraw/zinc/80/44/15/1067804415.db2.gz PMGVPPYNFZVQSI-UHFFFAOYSA-N 1 0 476.463 4.337 20 0 JIADRO COc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)cc1F ZINC001300158594 1067814675 /nfs/dbraw/zinc/81/46/75/1067814675.db2.gz UODWTTRONMWDOU-ZJSXRUAMSA-N 1 0 487.664 4.365 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001357203064 1067818025 /nfs/dbraw/zinc/81/80/25/1067818025.db2.gz DVDDFDSVPZSTKK-LEWJYISDSA-N 1 0 455.624 4.363 20 0 JIADRO COc1cc(Br)cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001357205942 1067818615 /nfs/dbraw/zinc/81/86/15/1067818615.db2.gz RCXZHZYUZCFHRQ-LJQANCHMSA-N 1 0 455.356 4.354 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)cc1OC(F)F ZINC001300163741 1067820619 /nfs/dbraw/zinc/82/06/19/1067820619.db2.gz GRFBRRJQVOOLKQ-CQSZACIVSA-N 1 0 480.947 4.190 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC001300163865 1067820848 /nfs/dbraw/zinc/82/08/48/1067820848.db2.gz FDLRBSUJOVKRMK-AFMDSPMNSA-N 1 0 464.614 4.201 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCCCC2)cc1O ZINC001300164849 1067822544 /nfs/dbraw/zinc/82/25/44/1067822544.db2.gz XFSUKWIOGATRNO-GOSISDBHSA-N 1 0 485.032 4.466 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCCC2)cc1O ZINC001300164962 1067822672 /nfs/dbraw/zinc/82/26/72/1067822672.db2.gz YILDGCXYYJOGBL-UHFFFAOYSA-N 1 0 453.587 4.462 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001300169301 1067827191 /nfs/dbraw/zinc/82/71/91/1067827191.db2.gz DCRYTHKIUHZNDX-PKTZIBPZSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCCC3)n2C[C@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC001300169643 1067827735 /nfs/dbraw/zinc/82/77/35/1067827735.db2.gz CPVUCJZVRJBYAU-OAQYLSRUSA-N 1 0 453.587 4.485 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC(F)F ZINC001300169895 1067828411 /nfs/dbraw/zinc/82/84/11/1067828411.db2.gz LYWNOWYANYIXIP-WIYYLYMNSA-N 1 0 493.599 4.498 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1O ZINC001300170424 1067829293 /nfs/dbraw/zinc/82/92/93/1067829293.db2.gz RYKHTRWFSTZBCI-XXBNENTESA-N 1 0 457.619 4.135 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CCC[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC001200197858 1067831879 /nfs/dbraw/zinc/83/18/79/1067831879.db2.gz XKFTXZJCJJCLSI-QGZVFWFLSA-N 1 0 453.052 4.266 20 0 JIADRO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc(OC)c1OC(F)F ZINC001357303788 1067832324 /nfs/dbraw/zinc/83/23/24/1067832324.db2.gz ISVFVJAIZGHOQQ-UHFFFAOYSA-N 1 0 452.523 4.149 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)cc1F ZINC001300173836 1067833412 /nfs/dbraw/zinc/83/34/12/1067833412.db2.gz YHTVXYVGZSSGKV-UHFFFAOYSA-N 1 0 466.605 4.313 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300176371 1067836194 /nfs/dbraw/zinc/83/61/94/1067836194.db2.gz QWIRCAFHXYSNHS-VQTJNVASSA-N 1 0 466.605 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCC2)cc1O ZINC001300178764 1067840002 /nfs/dbraw/zinc/84/00/02/1067840002.db2.gz DRNXHMKTQYFHOP-NFBKMPQASA-N 1 0 485.673 4.422 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001300178833 1067840048 /nfs/dbraw/zinc/84/00/48/1067840048.db2.gz GUBWNPWRCLCYEF-YOSAUDMPSA-N 1 0 455.647 4.451 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001300180808 1067843602 /nfs/dbraw/zinc/84/36/02/1067843602.db2.gz SUDGXPPXIIENKR-HSZRJFAPSA-N 1 0 479.673 4.214 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC001300182778 1067845031 /nfs/dbraw/zinc/84/50/31/1067845031.db2.gz XNSFVUSDAGUHDJ-NFQMXDRXSA-N 1 0 487.689 4.102 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1cccc(I)c1 ZINC001357422127 1067847290 /nfs/dbraw/zinc/84/72/90/1067847290.db2.gz JEQHSTQXACRUKP-UHFFFAOYSA-N 1 0 452.336 4.193 20 0 JIADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1Br)COc1ccc(F)c(F)c1 ZINC001200212718 1067850056 /nfs/dbraw/zinc/85/00/56/1067850056.db2.gz CLEZLMAAYJYIFY-GFCCVEGCSA-N 1 0 451.105 4.019 20 0 JIADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Br ZINC001357496627 1067859841 /nfs/dbraw/zinc/85/98/41/1067859841.db2.gz ZBIZFHGNBMRQEL-DFQSSKMNSA-N 1 0 459.432 4.431 20 0 JIADRO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001353091548 1067860189 /nfs/dbraw/zinc/86/01/89/1067860189.db2.gz FACFMUCIYRXYQQ-OAQYLSRUSA-N 1 0 459.638 4.172 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001353093050 1067860465 /nfs/dbraw/zinc/86/04/65/1067860465.db2.gz LFKFQKWFNDZOFO-HNNXBMFYSA-N 1 0 450.366 4.316 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001357526867 1067865319 /nfs/dbraw/zinc/86/53/19/1067865319.db2.gz YTVQXBHHJROQBP-QHCPKHFHSA-N 1 0 456.428 4.367 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4cccc(Cl)c4)nn3)cc2Cl)CC1 ZINC001357553732 1067869131 /nfs/dbraw/zinc/86/91/31/1067869131.db2.gz UWUOQNWOQPUFBR-UHFFFAOYSA-N 1 0 459.381 4.358 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2Cl)CC1 ZINC001357553835 1067869263 /nfs/dbraw/zinc/86/92/63/1067869263.db2.gz VODNHSVTJJKESV-QHCPKHFHSA-N 1 0 456.974 4.012 20 0 JIADRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1-c1ccccc1 ZINC001357571914 1067872032 /nfs/dbraw/zinc/87/20/32/1067872032.db2.gz LCWYMKIRQAYFHA-UHFFFAOYSA-N 1 0 459.594 4.427 20 0 JIADRO C[C@H](NC(=O)c1c(Cl)nc2cc(Cl)ccn21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001357578834 1067873703 /nfs/dbraw/zinc/87/37/03/1067873703.db2.gz NBHKNEOAYCEBFQ-ZDUSSCGKSA-N 1 0 450.345 4.023 20 0 JIADRO O[C@H](C[C@H]1CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)cc1 ZINC001473291574 1067874982 /nfs/dbraw/zinc/87/49/82/1067874982.db2.gz HFEGGURAXWCBCU-SVFBPWRDSA-N 1 0 456.327 4.055 20 0 JIADRO COc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC001300211697 1067881805 /nfs/dbraw/zinc/88/18/05/1067881805.db2.gz YYTVALUZAGILAR-SFHVURJKSA-N 1 0 481.563 4.168 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492559282 1067884619 /nfs/dbraw/zinc/88/46/19/1067884619.db2.gz WIGSSXLGEZQAMZ-HXUWFJFHSA-N 1 0 455.647 4.211 20 0 JIADRO COc1c(Br)ccc(F)c1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001353167840 1067886963 /nfs/dbraw/zinc/88/69/63/1067886963.db2.gz OHBNOGRVGCKKNL-UHFFFAOYSA-N 1 0 457.384 4.140 20 0 JIADRO Cc1c(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cnn1-c1cccc(Cl)c1 ZINC001357837249 1067918408 /nfs/dbraw/zinc/91/84/08/1067918408.db2.gz BSHHVJAMOUTSPE-UHFFFAOYSA-N 1 0 452.986 4.281 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C[C@@H]3CCC[C@@H](C(F)(F)F)O3)cc2)C[C@H]1C ZINC001357904539 1067936724 /nfs/dbraw/zinc/93/67/24/1067936724.db2.gz JAEWNUHJGIEFKY-UDKICSLYSA-N 1 0 456.549 4.202 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300238075 1067937691 /nfs/dbraw/zinc/93/76/91/1067937691.db2.gz YFFBDFWBPWZLRR-PMACEKPBSA-N 1 0 476.065 4.448 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C3(c4ccccc4)CCOCC3)cc2)C[C@H]1C ZINC001357906895 1067938405 /nfs/dbraw/zinc/93/84/05/1067938405.db2.gz REAPVGZHFOADJU-ZRZAMGCNSA-N 1 0 450.623 4.060 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4ccccc4)CCOCC3)cc2)C[C@@H]1C ZINC001357906892 1067938496 /nfs/dbraw/zinc/93/84/96/1067938496.db2.gz REAPVGZHFOADJU-GOTSBHOMSA-N 1 0 450.623 4.060 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ncoc3-c3ccc(F)cc3)cc2)C[C@H]1C ZINC001357908236 1067938574 /nfs/dbraw/zinc/93/85/74/1067938574.db2.gz ZSOHVJGOBKNOKY-RTBURBONSA-N 1 0 451.542 4.420 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001300238299 1067938567 /nfs/dbraw/zinc/93/85/67/1067938567.db2.gz FOMRCBCUQUBUHU-SFHVURJKSA-N 1 0 490.073 4.197 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300238571 1067940227 /nfs/dbraw/zinc/94/02/27/1067940227.db2.gz OHPMKFAQKLXPTH-FQEVSTJZSA-N 1 0 499.059 4.063 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c(C(F)(F)F)nc3ccccn32)ccc1OC ZINC001357931630 1067947586 /nfs/dbraw/zinc/94/75/86/1067947586.db2.gz VAZWPVDUHQGSCZ-UHFFFAOYSA-N 1 0 450.461 4.335 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C3CCCC3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001300244955 1067964287 /nfs/dbraw/zinc/96/42/87/1067964287.db2.gz DBWMHJDNWYRQQO-NRFANRHFSA-N 1 0 499.553 4.373 20 0 JIADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003909 1067981284 /nfs/dbraw/zinc/98/12/84/1067981284.db2.gz JTDUEQXRGBTSNO-NRFANRHFSA-N 1 0 452.426 4.323 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001358042127 1068001670 /nfs/dbraw/zinc/00/16/70/1068001670.db2.gz LNUUWOKVKCETER-FQEVSTJZSA-N 1 0 459.472 4.012 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(N3CC[NH+](C4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001300252387 1068004379 /nfs/dbraw/zinc/00/43/79/1068004379.db2.gz BDULITSCLUUCAH-UHFFFAOYSA-N 1 0 463.573 4.299 20 0 JIADRO COc1ccc(OC)c(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001300254266 1068010935 /nfs/dbraw/zinc/01/09/35/1068010935.db2.gz QAHQABSBTAWIGU-UHFFFAOYSA-N 1 0 499.059 4.422 20 0 JIADRO CC(C)C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)N1CCCCC1=O ZINC001358079670 1068012888 /nfs/dbraw/zinc/01/28/88/1068012888.db2.gz IVZLJXOJWNVLSL-QHCPKHFHSA-N 1 0 456.631 4.257 20 0 JIADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 ZINC001358114060 1068021651 /nfs/dbraw/zinc/02/16/51/1068021651.db2.gz ZBBZYDLSNCMHBK-UHFFFAOYSA-N 1 0 458.002 4.478 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)CCc2cc(Br)cs2)cc1 ZINC001353329044 1068029044 /nfs/dbraw/zinc/02/90/44/1068029044.db2.gz YAGGCAGTDVQRLO-UHFFFAOYSA-N 1 0 453.402 4.120 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001300263488 1068029395 /nfs/dbraw/zinc/02/93/95/1068029395.db2.gz FTGUNBLKCUNKAD-UHFFFAOYSA-N 1 0 471.005 4.035 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300263603 1068029958 /nfs/dbraw/zinc/02/99/58/1068029958.db2.gz JOIONHDYDHKYJP-XMMPIXPASA-N 1 0 487.695 4.309 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccsc3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300263802 1068031303 /nfs/dbraw/zinc/03/13/03/1068031303.db2.gz QFPMEDQMDYTGIO-HSZRJFAPSA-N 1 0 473.668 4.001 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300269377 1068045819 /nfs/dbraw/zinc/04/58/19/1068045819.db2.gz MCNOGWOLHZYFJB-KJJMTIBFSA-N 1 0 455.647 4.468 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(I)ccc1F ZINC001353345171 1068050756 /nfs/dbraw/zinc/05/07/56/1068050756.db2.gz GNFWCMHWITUPMY-UHFFFAOYSA-N 1 0 456.299 4.403 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3csc(-c4c(F)cccc4F)n3)cn2)CC1 ZINC001353346220 1068051936 /nfs/dbraw/zinc/05/19/36/1068051936.db2.gz SEPCPRNYVQBPIJ-UHFFFAOYSA-N 1 0 457.550 4.151 20 0 JIADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccsc2Br)CC1 ZINC001358268681 1068055820 /nfs/dbraw/zinc/05/58/20/1068055820.db2.gz JJHXZPHFLXZHBF-UHFFFAOYSA-N 1 0 459.207 4.277 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300278309 1068065128 /nfs/dbraw/zinc/06/51/28/1068065128.db2.gz QQZUBPXBFYLPSK-JOCHJYFZSA-N 1 0 451.571 4.308 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300278545 1068065526 /nfs/dbraw/zinc/06/55/26/1068065526.db2.gz QZSHHMBDCYZIJC-NYVOZVTQSA-N 1 0 485.654 4.091 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492564586 1068067572 /nfs/dbraw/zinc/06/75/72/1068067572.db2.gz MKFAKMQQHOYCON-IFMALSPDSA-N 1 0 468.646 4.039 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(Nc3cccnn3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001492564696 1068068424 /nfs/dbraw/zinc/06/84/24/1068068424.db2.gz PHYVLDWNSFOCEK-UHFFFAOYSA-N 1 0 462.646 4.243 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280117 1068069957 /nfs/dbraw/zinc/06/99/57/1068069957.db2.gz BRCREJXSSYLJIS-SIKLNZKXSA-N 1 0 473.687 4.318 20 0 JIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C)C1 ZINC001353376762 1068070198 /nfs/dbraw/zinc/07/01/98/1068070198.db2.gz RJEHEQSLQCPSJF-MGPUTAFESA-N 1 0 453.414 4.354 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280894 1068072502 /nfs/dbraw/zinc/07/25/02/1068072502.db2.gz ILZGIRSDOZIPGG-HXUWFJFHSA-N 1 0 463.573 4.222 20 0 JIADRO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 ZINC001473366506 1068073363 /nfs/dbraw/zinc/07/33/63/1068073363.db2.gz GCSDWGNYRXPSPI-IBGZPJMESA-N 1 0 459.546 4.306 20 0 JIADRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 ZINC001358378197 1068077665 /nfs/dbraw/zinc/07/76/65/1068077665.db2.gz RHYZXNMEMWINSG-UHFFFAOYSA-N 1 0 455.002 4.407 20 0 JIADRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001358452497 1068095463 /nfs/dbraw/zinc/09/54/63/1068095463.db2.gz SLRYHIBIUHOWAC-VWLOTQADSA-N 1 0 455.537 4.110 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2csc(C)n2)cc1 ZINC001300291579 1068097254 /nfs/dbraw/zinc/09/72/54/1068097254.db2.gz PRLZFHNXTSDXMQ-UHFFFAOYSA-N 1 0 484.670 4.184 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300296753 1068123947 /nfs/dbraw/zinc/12/39/47/1068123947.db2.gz OIZDMDKPPBJADI-SANMLTNESA-N 1 0 473.662 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300297966 1068133285 /nfs/dbraw/zinc/13/32/85/1068133285.db2.gz SAXGFWDWTCFGCX-UMEGOILYSA-N 1 0 473.687 4.318 20 0 JIADRO CSc1cccc(N(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C2CC[NH+](C)CC2)c1 ZINC001353445726 1068140111 /nfs/dbraw/zinc/14/01/11/1068140111.db2.gz VFWGRMSBTLGRND-XMMPIXPASA-N 1 0 450.608 4.060 20 0 JIADRO COc1ccc(OCCCn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001300307035 1068167095 /nfs/dbraw/zinc/16/70/95/1068167095.db2.gz HAFSTDZFWNDQEQ-UHFFFAOYSA-N 1 0 469.655 4.329 20 0 JIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001473438219 1068169495 /nfs/dbraw/zinc/16/94/95/1068169495.db2.gz ROAHCKQQWFWGGE-QUCCMNQESA-N 1 0 459.537 4.123 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(O)(Cc3ccccc3F)CC2)[C@@H](O)c2ccccc21 ZINC001473432528 1068172578 /nfs/dbraw/zinc/17/25/78/1068172578.db2.gz MVPPCURYMYLAAQ-PKTZIBPZSA-N 1 0 456.558 4.052 20 0 JIADRO COC(=O)c1coc(/C=C\C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1 ZINC001353472110 1068174494 /nfs/dbraw/zinc/17/44/94/1068174494.db2.gz ZBWKTIJVFMKUGN-KHPPLWFESA-N 1 0 459.546 4.349 20 0 JIADRO O=C(CCCCOc1ccc(Br)cc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC001353480191 1068187141 /nfs/dbraw/zinc/18/71/41/1068187141.db2.gz NTVYUYMJNQOWLB-UHFFFAOYSA-N 1 0 455.462 4.476 20 0 JIADRO CCS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001200355664 1068213588 /nfs/dbraw/zinc/21/35/88/1068213588.db2.gz GFZUQJQREOVTNX-YWZLYKJASA-N 1 0 453.967 4.087 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001473607456 1068270436 /nfs/dbraw/zinc/27/04/36/1068270436.db2.gz RKLWJICCRZFYDS-DEOSSOPVSA-N 1 0 450.023 4.206 20 0 JIADRO COCCSCCC[N@@H+]1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822701 1068285309 /nfs/dbraw/zinc/28/53/09/1068285309.db2.gz KMWONEKLMZVGNY-VQTJNVASSA-N 1 0 450.645 4.386 20 0 JIADRO Cc1ccc(NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)C(C)(C)C ZINC001200372444 1068288264 /nfs/dbraw/zinc/28/82/64/1068288264.db2.gz KSDGUIIVSPNKBF-UHFFFAOYSA-N 1 0 452.599 4.128 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC[C@@H]2C)[NH+](C)C)c1 ZINC001300334405 1068301109 /nfs/dbraw/zinc/30/11/09/1068301109.db2.gz HHVGAKWRMKAHAX-UWJYYQICSA-N 1 0 453.587 4.162 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N(CC(C)C)C2CCCC2)[NH+](C)C)c1 ZINC001300334873 1068303357 /nfs/dbraw/zinc/30/33/57/1068303357.db2.gz JWMFUFUHTUEIBB-DEOSSOPVSA-N 1 0 463.630 4.452 20 0 JIADRO CC(C)N1C(=O)C[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001353538472 1068303679 /nfs/dbraw/zinc/30/36/79/1068303679.db2.gz MIHCDTPWVGGIAA-GBXCKJPGSA-N 1 0 459.993 4.415 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccc(C)s3)CC2)[NH+](C)C)c1 ZINC001300335454 1068306720 /nfs/dbraw/zinc/30/67/20/1068306720.db2.gz SELQUAOJTXRKJS-JOCHJYFZSA-N 1 0 496.681 4.045 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[C@H](OCC(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335820 1068308908 /nfs/dbraw/zinc/30/89/08/1068308908.db2.gz WSJAPWWFTRBIJA-BJKOFHAPSA-N 1 0 455.647 4.499 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300338938 1068318096 /nfs/dbraw/zinc/31/80/96/1068318096.db2.gz FINLHUXVLJZPKE-HSZRJFAPSA-N 1 0 480.638 4.483 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C)o2)[NH+](C)C)c1 ZINC001300340098 1068321509 /nfs/dbraw/zinc/32/15/09/1068321509.db2.gz KQMZGMXQBWJCGS-XMMPIXPASA-N 1 0 460.582 4.113 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C)o2)[NH+](C)C)c1 ZINC001300340097 1068321646 /nfs/dbraw/zinc/32/16/46/1068321646.db2.gz KQMZGMXQBWJCGS-DEOSSOPVSA-N 1 0 460.582 4.113 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)[NH+](C)C)c1 ZINC001300340131 1068321692 /nfs/dbraw/zinc/32/16/92/1068321692.db2.gz KZXXUQHVHFMWSZ-JKSBSHDWSA-N 1 0 486.711 4.276 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H]2CCSC2)[NH+](C)C)c1 ZINC001300340739 1068324775 /nfs/dbraw/zinc/32/47/75/1068324775.db2.gz OHBXHQJCNDDDLA-XBYSBRQOSA-N 1 0 487.714 4.450 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300341097 1068325864 /nfs/dbraw/zinc/32/58/64/1068325864.db2.gz QHPDAKNDPNVOSN-QPPBQGQZSA-N 1 0 498.716 4.167 20 0 JIADRO C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000521179825 1068330634 /nfs/dbraw/zinc/33/06/34/1068330634.db2.gz HRKJOICJHBMCID-FXAWDEMLSA-N 1 0 453.637 4.022 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300342295 1068330734 /nfs/dbraw/zinc/33/07/34/1068330734.db2.gz VXAJUHFXPAPKIW-RBBKRZOGSA-N 1 0 484.689 4.018 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300342323 1068331642 /nfs/dbraw/zinc/33/16/42/1068331642.db2.gz WDUCSWOMUKXQPV-ZRBLBEILSA-N 1 0 471.646 4.083 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)n1 ZINC000523724481 1068347287 /nfs/dbraw/zinc/34/72/87/1068347287.db2.gz LZACKUUKNZXMRQ-UHFFFAOYSA-N 1 0 466.895 4.044 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001300350880 1068361349 /nfs/dbraw/zinc/36/13/49/1068361349.db2.gz PGLUWRPQXFZBCY-QZTJIDSGSA-N 1 0 484.670 4.243 20 0 JIADRO BrC1=CCCN(c2nnc([C@H]3CCCO3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001358869392 1068363128 /nfs/dbraw/zinc/36/31/28/1068363128.db2.gz JOCSYBLUTHKTBS-LJQANCHMSA-N 1 0 452.441 4.275 20 0 JIADRO Brc1ccc(OCc2nnc(N3CCSCC3)n2CCCCC[NH+]2CCCC2)cc1 ZINC001358869473 1068363168 /nfs/dbraw/zinc/36/31/68/1068363168.db2.gz LTIPOPNPVBAOHH-UHFFFAOYSA-N 1 0 494.503 4.439 20 0 JIADRO 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CC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200433564 1068531403 /nfs/dbraw/zinc/53/14/03/1068531403.db2.gz RKAMSBOQEZDGRM-UHFFFAOYSA-N 1 0 479.666 4.092 20 0 JIADRO COc1cccc(-c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300398369 1068543919 /nfs/dbraw/zinc/54/39/19/1068543919.db2.gz PDFMVWSTSSSUAU-AZUAARDMSA-N 1 0 459.545 4.450 20 0 JIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1nc(Br)ccc1Br ZINC001353775463 1068572334 /nfs/dbraw/zinc/57/23/34/1068572334.db2.gz ZYYOPHZZVGATSV-AWEZNQCLSA-N 1 0 453.178 4.001 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001300406733 1068574067 /nfs/dbraw/zinc/57/40/67/1068574067.db2.gz ITZRFOIRRZSPOY-UPVQGACJSA-N 1 0 498.697 4.197 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2csc(Cc3ccccc3F)n2)cc1 ZINC001353790847 1068588495 /nfs/dbraw/zinc/58/84/95/1068588495.db2.gz YKVNJHIXXDJDOS-UHFFFAOYSA-N 1 0 454.571 4.197 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CCO2)c1 ZINC001300411841 1068592995 /nfs/dbraw/zinc/59/29/95/1068592995.db2.gz XZLFFGVHSKQMKZ-JTAQYXEDSA-N 1 0 485.673 4.050 20 0 JIADRO CCC[C@@H]1CN(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC[N@@H+]1CCOC ZINC001200473381 1068684914 /nfs/dbraw/zinc/68/49/14/1068684914.db2.gz GKSYQOMIAPZVKC-QNLPTKCRSA-N 1 0 457.640 4.100 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C1 ZINC001300434353 1068691056 /nfs/dbraw/zinc/69/10/56/1068691056.db2.gz KKIGFWRWECAKJS-DNQXCXABSA-N 1 0 451.611 4.103 20 0 JIADRO COc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)c1OC ZINC001300436565 1068698482 /nfs/dbraw/zinc/69/84/82/1068698482.db2.gz HHACDFFCMLTJLV-ZJSXRUAMSA-N 1 0 485.673 4.183 20 0 JIADRO COc1cccc(CO[C@H]2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437339 1068701993 /nfs/dbraw/zinc/70/19/93/1068701993.db2.gz NSEVHZDSENSVNH-IMSXRSKXSA-N 1 0 485.673 4.093 20 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COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001300523724 1068921159 /nfs/dbraw/zinc/92/11/59/1068921159.db2.gz AXLOJQSKAUKWBI-FDFHNCONSA-N 1 0 469.674 4.367 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147161 1068930982 /nfs/dbraw/zinc/93/09/82/1068930982.db2.gz HVNQEGDARBJKNK-UPVQGACJSA-N 1 0 451.586 4.049 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300528665 1068934474 /nfs/dbraw/zinc/93/44/74/1068934474.db2.gz FZECGPTUTJSUEV-PXDATVDWSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300532910 1068948438 /nfs/dbraw/zinc/94/84/38/1068948438.db2.gz SSHWKFSSRJVPRI-NFBKMPQASA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300534575 1068952020 /nfs/dbraw/zinc/95/20/20/1068952020.db2.gz GDPQXIQXHZKRPS-FGZHOGPDSA-N 1 0 462.642 4.277 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001492568842 1068962243 /nfs/dbraw/zinc/96/22/43/1068962243.db2.gz BPCDDTVLJSBDTC-UHFFFAOYSA-N 1 0 468.646 4.233 20 0 JIADRO C[C@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC001354196837 1068968421 /nfs/dbraw/zinc/96/84/21/1068968421.db2.gz SPBBRCOHRWHBCF-VXGBXAGGSA-N 1 0 454.274 4.303 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300540192 1068969399 /nfs/dbraw/zinc/96/93/99/1068969399.db2.gz SKWVXEDBJRDNHQ-GGAORHGYSA-N 1 0 455.647 4.005 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492569342 1068970172 /nfs/dbraw/zinc/97/01/72/1068970172.db2.gz UGQMMEWFYILJAC-IBGZPJMESA-N 1 0 464.580 4.201 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001492569526 1068972912 /nfs/dbraw/zinc/97/29/12/1068972912.db2.gz ZXUNTWAWTGXNDZ-FQEVSTJZSA-N 1 0 482.673 4.479 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492568683 1068977265 /nfs/dbraw/zinc/97/72/65/1068977265.db2.gz WEAUMBGRDBQRGJ-OAQYLSRUSA-N 1 0 480.682 4.313 20 0 JIADRO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCCC1 ZINC001300550098 1068996124 /nfs/dbraw/zinc/99/61/24/1068996124.db2.gz IAVJTYPDYBQILN-IBGZPJMESA-N 1 0 451.558 4.098 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300552962 1069004482 /nfs/dbraw/zinc/00/44/82/1069004482.db2.gz OIPDWHJPQZDWNA-UHFFFAOYSA-N 1 0 467.658 4.313 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001300555600 1069009900 /nfs/dbraw/zinc/00/99/00/1069009900.db2.gz FHDJYPJNXIPCLW-XMMPIXPASA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492587849 1069018557 /nfs/dbraw/zinc/01/85/57/1069018557.db2.gz CYYBPQPKYUFZME-OAQYLSRUSA-N 1 0 465.564 4.209 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492587000 1069018855 /nfs/dbraw/zinc/01/88/55/1069018855.db2.gz AUGZFJDXZQXAJW-UHFFFAOYSA-N 1 0 466.699 4.149 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001300558193 1069020497 /nfs/dbraw/zinc/02/04/97/1069020497.db2.gz WBBLRDMARSPMTK-UHFFFAOYSA-N 1 0 495.590 4.036 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300560460 1069027760 /nfs/dbraw/zinc/02/77/60/1069027760.db2.gz BOLBXYAREWNPIT-SWYRRKHMSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[N@@H+](C)C(C)C ZINC001492572287 1069027795 /nfs/dbraw/zinc/02/77/95/1069027795.db2.gz YSHJRMVNTMVLRO-QFIPXVFZSA-N 1 0 461.614 4.306 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492588146 1069033328 /nfs/dbraw/zinc/03/33/28/1069033328.db2.gz KOFCMEHMZZWRCY-YWEHKCAJSA-N 1 0 483.701 4.056 20 0 JIADRO O=C(Nc1ccccc1)c1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1Cl ZINC001200612558 1069036704 /nfs/dbraw/zinc/03/67/04/1069036704.db2.gz DGWTZSRTCHFRKS-HXUWFJFHSA-N 1 0 456.974 4.357 20 0 JIADRO COc1cc(CN(C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486374 1069051787 /nfs/dbraw/zinc/05/17/87/1069051787.db2.gz KHLLNWDWPHBQCR-IZZNHLLZSA-N 1 0 490.648 4.480 20 0 JIADRO Cc1ccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489924 1069057663 /nfs/dbraw/zinc/05/76/63/1069057663.db2.gz IEPFWYXCVBEPFM-BJKOFHAPSA-N 1 0 456.594 4.496 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1F ZINC000849490520 1069058520 /nfs/dbraw/zinc/05/85/20/1069058520.db2.gz OCEAWTSVOQJBGE-QZTJIDSGSA-N 1 0 457.575 4.144 20 0 JIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849492401 1069059441 /nfs/dbraw/zinc/05/94/41/1069059441.db2.gz FAZGJGHCFOUQLQ-PKTZIBPZSA-N 1 0 475.641 4.166 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492031 1069060418 /nfs/dbraw/zinc/06/04/18/1069060418.db2.gz PKFOZJREXDFERE-ROUUACIJSA-N 1 0 461.538 4.127 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cnc(C)s1 ZINC001300567627 1069063282 /nfs/dbraw/zinc/06/32/82/1069063282.db2.gz NJXZESUJZRMYQU-UHFFFAOYSA-N 1 0 454.644 4.001 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300568372 1069066782 /nfs/dbraw/zinc/06/67/82/1069066782.db2.gz SHBILTSVAAGBTI-QFIPXVFZSA-N 1 0 497.713 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849494740 1069066939 /nfs/dbraw/zinc/06/69/39/1069066939.db2.gz YLHSMDPIAXGKIM-RTBURBONSA-N 1 0 459.566 4.198 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496403 1069067511 /nfs/dbraw/zinc/06/75/11/1069067511.db2.gz KGJWJZZUYLLVKQ-RRPNLBNLSA-N 1 0 471.649 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496759 1069068524 /nfs/dbraw/zinc/06/85/24/1069068524.db2.gz BRWUQWUIIXVECL-SVBPBHIXSA-N 1 0 460.622 4.267 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499630 1069071223 /nfs/dbraw/zinc/07/12/23/1069071223.db2.gz XGAKKWMAIOBLCR-IZZNHLLZSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501533 1069073834 /nfs/dbraw/zinc/07/38/34/1069073834.db2.gz WBZVAXAAIUNUHI-KAYWLYCHSA-N 1 0 460.622 4.267 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503143 1069076817 /nfs/dbraw/zinc/07/68/17/1069076817.db2.gz GQOSGFJQGBDOPO-LEWJYISDSA-N 1 0 455.603 4.368 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849503407 1069077729 /nfs/dbraw/zinc/07/77/29/1069077729.db2.gz ITJLXENIUJMIOF-DHIUTWEWSA-N 1 0 477.584 4.193 20 0 JIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849503540 1069079654 /nfs/dbraw/zinc/07/96/54/1069079654.db2.gz JGBZJCMNUOYNOS-DNQXCXABSA-N 1 0 465.642 4.053 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504343 1069080574 /nfs/dbraw/zinc/08/05/74/1069080574.db2.gz OKEWZYSBCSRORI-KAYWLYCHSA-N 1 0 476.621 4.468 20 0 JIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849503728 1069083336 /nfs/dbraw/zinc/08/33/36/1069083336.db2.gz KNDWKSIHHJCSHV-DNQXCXABSA-N 1 0 453.631 4.135 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504690 1069084203 /nfs/dbraw/zinc/08/42/03/1069084203.db2.gz PPXZJMWUTHVEIM-ZEQRLZLVSA-N 1 0 463.557 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849505772 1069087035 /nfs/dbraw/zinc/08/70/35/1069087035.db2.gz JKLWGWQVDDWFQU-PCCBWWKXSA-N 1 0 461.006 4.084 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001492574894 1069087848 /nfs/dbraw/zinc/08/78/48/1069087848.db2.gz CEEDRQLXTJIODM-BTYSJIOQSA-N 1 0 494.728 4.187 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507269 1069087963 /nfs/dbraw/zinc/08/79/63/1069087963.db2.gz BTPLTIMNEXVUFZ-VABKMULXSA-N 1 0 467.411 4.124 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001492574923 1069088838 /nfs/dbraw/zinc/08/88/38/1069088838.db2.gz CTGMOXLNCBCVHV-HSZRJFAPSA-N 1 0 494.728 4.187 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508654 1069090706 /nfs/dbraw/zinc/09/07/06/1069090706.db2.gz AKVBLCZTOHQWEC-BJKOFHAPSA-N 1 0 492.023 4.227 20 0 JIADRO Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510083 1069091802 /nfs/dbraw/zinc/09/18/02/1069091802.db2.gz GUVTXQLGTHESCL-LOSJGSFVSA-N 1 0 487.648 4.154 20 0 JIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509904 1069092298 /nfs/dbraw/zinc/09/22/98/1069092298.db2.gz GJZXNYYLXXNVPI-NKKJXINNSA-N 1 0 465.642 4.196 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511372 1069093417 /nfs/dbraw/zinc/09/34/17/1069093417.db2.gz YGYCFNCCDPUZHJ-ZLGUVYLKSA-N 1 0 452.521 4.053 20 0 JIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849510875 1069095144 /nfs/dbraw/zinc/09/51/44/1069095144.db2.gz LXYIBBBHFGTZSB-PVHODMMVSA-N 1 0 478.612 4.482 20 0 JIADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514507 1069097854 /nfs/dbraw/zinc/09/78/54/1069097854.db2.gz BXSOGNMSTRIGLV-JWQCQUIFSA-N 1 0 460.578 4.400 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)c1 ZINC001354311995 1069098617 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4.350 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 ZINC001354466982 1069241534 /nfs/dbraw/zinc/24/15/34/1069241534.db2.gz FYZJXOZJPJLDEV-RUZDIDTESA-N 1 0 457.619 4.354 20 0 JIADRO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849593501 1069244539 /nfs/dbraw/zinc/24/45/39/1069244539.db2.gz UJPZTPJDRHZAER-RRPNLBNLSA-N 1 0 492.620 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849594492 1069245265 /nfs/dbraw/zinc/24/52/65/1069245265.db2.gz UPWMVKRAQRDGGG-ZWKOTPCHSA-N 1 0 464.035 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849594421 1069245599 /nfs/dbraw/zinc/24/55/99/1069245599.db2.gz TUXYVJCKRKEAJB-DZFGPLHGSA-N 1 0 450.549 4.342 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849593134 1069245630 /nfs/dbraw/zinc/24/56/30/1069245630.db2.gz SQAIHXCPBWBXRT-UIOOFZCWSA-N 1 0 462.663 4.492 20 0 JIADRO CCOc1cc(Br)c(F)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594311 1069245746 /nfs/dbraw/zinc/24/57/46/1069245746.db2.gz GFYQPLWYEAHPLI-HOTGVXAUSA-N 1 0 467.383 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849593853 1069246339 /nfs/dbraw/zinc/24/63/39/1069246339.db2.gz DIJYBFHWBNPBEA-CIQXWFTPSA-N 1 0 459.432 4.059 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC000849595329 1069247388 /nfs/dbraw/zinc/24/73/88/1069247388.db2.gz IUTDSCXFBANAFI-JMUQELJHSA-N 1 0 477.584 4.033 20 0 JIADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849599823 1069256789 /nfs/dbraw/zinc/25/67/89/1069256789.db2.gz BLGUGKFMCKKVBD-ZTCOLXNVSA-N 1 0 467.658 4.117 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC001200679364 1069260239 /nfs/dbraw/zinc/26/02/39/1069260239.db2.gz WDHOWOVXSAFOEK-HXUWFJFHSA-N 1 0 453.008 4.306 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000849604313 1069261889 /nfs/dbraw/zinc/26/18/89/1069261889.db2.gz CNYQJKQLQAMUAI-LEWJYISDSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606432 1069262449 /nfs/dbraw/zinc/26/24/49/1069262449.db2.gz PPKPUTDRZCOLHA-FTJBHMTQSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606434 1069262863 /nfs/dbraw/zinc/26/28/63/1069262863.db2.gz PPKPUTDRZCOLHA-UIOOFZCWSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849605751 1069263421 /nfs/dbraw/zinc/26/34/21/1069263421.db2.gz JMFHADRROXAEOI-ZEQRLZLVSA-N 1 0 458.597 4.384 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607987 1069265422 /nfs/dbraw/zinc/26/54/22/1069265422.db2.gz MOVZJLRTQLESSM-NHCUHLMSSA-N 1 0 459.432 4.194 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCC(F)(F)F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001492577819 1069286422 /nfs/dbraw/zinc/28/64/22/1069286422.db2.gz XPXSIIICNWDUSD-UHFFFAOYSA-N 1 0 465.564 4.211 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300638653 1069299151 /nfs/dbraw/zinc/29/91/51/1069299151.db2.gz ZDQIYNCDNJEOMC-NRFANRHFSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300639181 1069301719 /nfs/dbraw/zinc/30/17/19/1069301719.db2.gz INEPXWSSVZUZLT-RTWAWAEBSA-N 1 0 471.646 4.134 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492591912 1069302175 /nfs/dbraw/zinc/30/21/75/1069302175.db2.gz SRNCQCCXLWPGRN-QHCPKHFHSA-N 1 0 475.641 4.381 20 0 JIADRO COc1c(Br)cc(C[NH2+]CCCOCC2CCOCC2)cc1Br ZINC001200692842 1069304361 /nfs/dbraw/zinc/30/43/61/1069304361.db2.gz VKEWYYVELURTBT-UHFFFAOYSA-N 1 0 451.199 4.143 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccoc1 ZINC001300640033 1069304834 /nfs/dbraw/zinc/30/48/34/1069304834.db2.gz RSBXOMGCVLUIOF-UHFFFAOYSA-N 1 0 453.587 4.064 20 0 JIADRO FC(F)(F)[C@@H]1N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387305 718814465 /nfs/dbraw/zinc/81/44/65/718814465.db2.gz FIFWPLYQXBKDGJ-LJQANCHMSA-N 1 0 451.924 4.157 20 0 JIADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164409867 718865739 /nfs/dbraw/zinc/86/57/39/718865739.db2.gz VCIHZGRJPZSHNB-DYVFJYSZSA-N 1 0 462.850 4.175 20 0 JIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164414169 718880075 /nfs/dbraw/zinc/88/00/75/718880075.db2.gz REJWGBWEKGHARN-LJQANCHMSA-N 1 0 465.951 4.342 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424286 718920081 /nfs/dbraw/zinc/92/00/81/718920081.db2.gz MQQOJGPIUOKJEW-HXUWFJFHSA-N 1 0 458.336 4.186 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164617438 719008638 /nfs/dbraw/zinc/00/86/38/719008638.db2.gz ODZOSJLVICYTCV-VGOFRKELSA-N 1 0 482.934 4.117 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619339 719010394 /nfs/dbraw/zinc/01/03/94/719010394.db2.gz VSUXAWLOHBIMFO-DCFHFQCYSA-N 1 0 499.725 4.299 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613967 719017492 /nfs/dbraw/zinc/01/74/92/719017492.db2.gz AUOPVEVOCXJYHI-BAGYTPMASA-N 1 0 491.661 4.074 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164628740 719044727 /nfs/dbraw/zinc/04/47/27/719044727.db2.gz ZQISSKAJSCZABQ-YIXXDRMTSA-N 1 0 460.025 4.272 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CCN(Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650541 719296820 /nfs/dbraw/zinc/29/68/20/719296820.db2.gz IPHPOYHGCOJBTE-YWEHKCAJSA-N 1 0 473.596 4.223 20 0 JIADRO CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2nn(CC3CC3)cc21 ZINC001164662683 719364497 /nfs/dbraw/zinc/36/44/97/719364497.db2.gz DJXMOXVDPSAEOW-SFHVURJKSA-N 1 0 477.987 4.403 20 0 JIADRO CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2nn(CC3CC3)cc21 ZINC001164662682 719364594 /nfs/dbraw/zinc/36/45/94/719364594.db2.gz DJXMOXVDPSAEOW-GOSISDBHSA-N 1 0 477.987 4.403 20 0 JIADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164669836 719438587 /nfs/dbraw/zinc/43/85/87/719438587.db2.gz MRZYDOOUGSWHRR-RTBURBONSA-N 1 0 452.649 4.382 20 0 JIADRO COc1ccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164680403 719652950 /nfs/dbraw/zinc/65/29/50/719652950.db2.gz GLNJHJFYMYBHGK-UHFFFAOYSA-N 1 0 476.959 4.086 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682119 719653950 /nfs/dbraw/zinc/65/39/50/719653950.db2.gz SLGCUWFMIRDZOM-UHFFFAOYSA-N 1 0 464.923 4.216 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3Cl)CC2)c2ccccc21 ZINC001164680712 719657457 /nfs/dbraw/zinc/65/74/57/719657457.db2.gz IAHAUAMQEDTZCY-QGZVFWFLSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(OCc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680942 719661108 /nfs/dbraw/zinc/66/11/08/719661108.db2.gz JEOLXAHBVJSXKV-DEOSSOPVSA-N 1 0 499.659 4.149 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)c2ccccc21 ZINC001164680075 719666669 /nfs/dbraw/zinc/66/66/69/719666669.db2.gz BLDDCSBKUWPHBC-JOCHJYFZSA-N 1 0 487.623 4.376 20 0 JIADRO CSc1nc2ccccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683427 719671483 /nfs/dbraw/zinc/67/14/83/719671483.db2.gz RTWNDCCVDMMTNY-HXUWFJFHSA-N 1 0 489.689 4.445 20 0 JIADRO Cc1cc(Cl)c(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681464 719673129 /nfs/dbraw/zinc/67/31/29/719673129.db2.gz LBFNEIBFTDCDDC-FQEVSTJZSA-N 1 0 455.046 4.445 20 0 JIADRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc21 ZINC001164680454 719674273 /nfs/dbraw/zinc/67/42/73/719674273.db2.gz FKFKMQBNIZIHDP-NRFANRHFSA-N 1 0 472.633 4.337 20 0 JIADRO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685760 719678851 /nfs/dbraw/zinc/67/88/51/719678851.db2.gz VWJKLHSNPWFBDF-HXUWFJFHSA-N 1 0 482.072 4.409 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c2ccccc21 ZINC001164680422 719679177 /nfs/dbraw/zinc/67/91/77/719679177.db2.gz DVTRYYGHQSLNOT-JOCHJYFZSA-N 1 0 487.623 4.376 20 0 JIADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccco2)n1 ZINC001164684284 719679497 /nfs/dbraw/zinc/67/94/97/719679497.db2.gz SWCIDUUXTQSHAM-OAQYLSRUSA-N 1 0 473.621 4.138 20 0 JIADRO CSCc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164685660 719680782 /nfs/dbraw/zinc/68/07/82/719680782.db2.gz LOHQOHINPLPSRL-NRFANRHFSA-N 1 0 452.668 4.038 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164689592 719753795 /nfs/dbraw/zinc/75/37/95/719753795.db2.gz IPTBSYZZUJYJOY-UHFFFAOYSA-N 1 0 464.944 4.008 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)n1 ZINC001164690652 719760651 /nfs/dbraw/zinc/76/06/51/719760651.db2.gz GOJKHWXQURHTKP-IQGLISFBSA-N 1 0 484.645 4.343 20 0 JIADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695730 719888143 /nfs/dbraw/zinc/88/81/43/719888143.db2.gz TXSYTBUKEODUSE-UHFFFAOYSA-N 1 0 484.016 4.208 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695261 719889729 /nfs/dbraw/zinc/88/97/29/719889729.db2.gz KFWNRPRSKQQFSW-UHFFFAOYSA-N 1 0 450.004 4.153 20 0 JIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707895 719910567 /nfs/dbraw/zinc/91/05/67/719910567.db2.gz YMQQOMCHSQOMJP-UHFFFAOYSA-N 1 0 486.013 4.304 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814143 720090191 /nfs/dbraw/zinc/09/01/91/720090191.db2.gz VOXVZECXMDRLFQ-BTYIYWSLSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164718621 720110911 /nfs/dbraw/zinc/11/09/11/720110911.db2.gz TZBXETQHBLHDHV-NRFANRHFSA-N 1 0 465.001 4.095 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164719654 720116379 /nfs/dbraw/zinc/11/63/79/720116379.db2.gz ZSSKWTQFDHALND-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164714921 720116885 /nfs/dbraw/zinc/11/68/85/720116885.db2.gz FIXHZNXEHFRYTP-GOSISDBHSA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164717313 720121400 /nfs/dbraw/zinc/12/14/00/720121400.db2.gz NCNLUDZRGZICQE-IBGZPJMESA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164710491 720134020 /nfs/dbraw/zinc/13/40/20/720134020.db2.gz BYFRKEUHBDDULB-KRWDZBQOSA-N 1 0 486.394 4.317 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164712482 720154465 /nfs/dbraw/zinc/15/44/65/720154465.db2.gz MPEOTZYUJCUTHL-JOCHJYFZSA-N 1 0 461.585 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164714459 720157994 /nfs/dbraw/zinc/15/79/94/720157994.db2.gz PMTQITQLTSICCY-SFHVURJKSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815657 720170301 /nfs/dbraw/zinc/17/03/01/720170301.db2.gz ISDFARGWWSPNBS-PIKZIKFNSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816807 720184698 /nfs/dbraw/zinc/18/46/98/720184698.db2.gz MUVCDFUXIKSSFW-UZTOHYMASA-N 1 0 490.677 4.212 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812838 720197022 /nfs/dbraw/zinc/19/70/22/720197022.db2.gz MMIQGBAUENNHRB-LXFBAYGMSA-N 1 0 458.606 4.394 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)C2 ZINC001164811671 720199391 /nfs/dbraw/zinc/19/93/91/720199391.db2.gz JLJFIAMBXGQTMD-HOYKHHGWSA-N 1 0 458.990 4.116 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccsc3)nc3ccccc31)CCC2 ZINC001164812884 720238260 /nfs/dbraw/zinc/23/82/60/720238260.db2.gz JSLMSCHSGVPNFJ-UHFFFAOYSA-N 1 0 460.607 4.166 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164824491 720306739 /nfs/dbraw/zinc/30/67/39/720306739.db2.gz RDNFACRMIQTJSW-LOSJGSFVSA-N 1 0 491.586 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001164819982 720315128 /nfs/dbraw/zinc/31/51/28/720315128.db2.gz FUCVWLZRKQSXKB-LOSJGSFVSA-N 1 0 482.632 4.117 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164828341 720338124 /nfs/dbraw/zinc/33/81/24/720338124.db2.gz OGXXEDOVDRJQKO-JWQCQUIFSA-N 1 0 491.586 4.487 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164825166 720339380 /nfs/dbraw/zinc/33/93/80/720339380.db2.gz ISMDRXNEIFJTSP-FGZHOGPDSA-N 1 0 490.677 4.282 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)CC1 ZINC001164827458 720346519 /nfs/dbraw/zinc/34/65/19/720346519.db2.gz LPXLWNBFDVNHJT-NHCUHLMSSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164822317 720349579 /nfs/dbraw/zinc/34/95/79/720349579.db2.gz DHNFNSNPGYAPQP-MOPGFXCFSA-N 1 0 463.960 4.132 20 0 JIADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726699 720350802 /nfs/dbraw/zinc/35/08/02/720350802.db2.gz RCPBHVLHUAOGIW-JWQCQUIFSA-N 1 0 467.573 4.466 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829635 720352121 /nfs/dbraw/zinc/35/21/21/720352121.db2.gz SZUMKCGVEOGTFJ-UXHICEINSA-N 1 0 470.017 4.142 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164829161 720352387 /nfs/dbraw/zinc/35/23/87/720352387.db2.gz QSEUJVZJFHNNNK-NHCUHLMSSA-N 1 0 470.017 4.142 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164824301 720352602 /nfs/dbraw/zinc/35/26/02/720352602.db2.gz HVSACFKJTICCPY-MOPGFXCFSA-N 1 0 490.435 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164821516 720353261 /nfs/dbraw/zinc/35/32/61/720353261.db2.gz ANJGNZPNHHIHHT-WOJBJXKFSA-N 1 0 490.435 4.487 20 0 JIADRO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735119 720439981 /nfs/dbraw/zinc/43/99/81/720439981.db2.gz WEYLMMYGMZDWAI-VXKWHMMOSA-N 1 0 474.678 4.414 20 0 JIADRO 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c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)c1 ZINC001164746784 720819501 /nfs/dbraw/zinc/81/95/01/720819501.db2.gz ZDCOMNZRRWJMND-QWFCFKBJSA-N 1 0 477.663 4.391 20 0 JIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748776 720835456 /nfs/dbraw/zinc/83/54/56/720835456.db2.gz UVONLLZUNYFRJN-SVFBPWRDSA-N 1 0 472.971 4.404 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164854228 720845198 /nfs/dbraw/zinc/84/51/98/720845198.db2.gz QFAGXYBBIUSWIW-HXOBKFHXSA-N 1 0 470.976 4.263 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740570 720846399 /nfs/dbraw/zinc/84/63/99/720846399.db2.gz CVEDZCUVUYRQLG-CNNODRBYSA-N 1 0 495.027 4.036 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@H]2C1 ZINC001164852227 720850179 /nfs/dbraw/zinc/85/01/79/720850179.db2.gz JEMJYXKMGQAKRP-IFXJQAMLSA-N 1 0 460.352 4.260 20 0 JIADRO 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CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753512 720872552 /nfs/dbraw/zinc/87/25/52/720872552.db2.gz PVYOXDWDOZHQOR-WXVAWEFUSA-N 1 0 499.055 4.370 20 0 JIADRO COc1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753003 720879986 /nfs/dbraw/zinc/87/99/86/720879986.db2.gz OGEQSJUNRXHQQF-RBJSKKJNSA-N 1 0 458.606 4.394 20 0 JIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753859 720880085 /nfs/dbraw/zinc/88/00/85/720880085.db2.gz QEHNDYWLSXYMMN-XMSQKQJNSA-N 1 0 498.405 4.478 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754857 720881273 /nfs/dbraw/zinc/88/12/73/720881273.db2.gz UAHOLBIKFWFWKV-REWPJTCUSA-N 1 0 478.971 4.310 20 0 JIADRO Clc1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cn1 ZINC001164756847 720882983 /nfs/dbraw/zinc/88/29/83/720882983.db2.gz RNNGNCIYCJXJIM-ATIYNZHBSA-N 1 0 464.013 4.433 20 0 JIADRO 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20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@@H]21 ZINC001165027520 721828855 /nfs/dbraw/zinc/82/88/55/721828855.db2.gz SMUUCBMOVXXLGE-YTQUADARSA-N 1 0 474.943 4.462 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164931611 721890665 /nfs/dbraw/zinc/89/06/65/721890665.db2.gz FTQPSDIXOFCAES-SFTDATJTSA-N 1 0 450.961 4.170 20 0 JIADRO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164938456 721920308 /nfs/dbraw/zinc/92/03/08/721920308.db2.gz OWDGTKXCIFURIT-UHFFFAOYSA-N 1 0 452.986 4.472 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938907 721927250 /nfs/dbraw/zinc/92/72/50/721927250.db2.gz AQUDHXFYENHEQL-UHFFFAOYSA-N 1 0 458.002 4.400 20 0 JIADRO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1Cl ZINC001164940637 721927536 /nfs/dbraw/zinc/92/75/36/721927536.db2.gz VFEGBVKXEWVJLC-UHFFFAOYSA-N 1 0 451.945 4.468 20 0 JIADRO Cc1cc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc(N3CCOCC3)c2s1 ZINC001164938608 721927712 /nfs/dbraw/zinc/92/77/12/721927712.db2.gz AOTFJXKANJVHGZ-UHFFFAOYSA-N 1 0 493.677 4.016 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)n2)cc1 ZINC001164940705 721933269 /nfs/dbraw/zinc/93/32/69/721933269.db2.gz XVXRWBCCRCMMEZ-UHFFFAOYSA-N 1 0 487.648 4.301 20 0 JIADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165049831 721977037 /nfs/dbraw/zinc/97/70/37/721977037.db2.gz SBIQZVASBMEUEY-SFHVURJKSA-N 1 0 450.555 4.005 20 0 JIADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165055704 722017436 /nfs/dbraw/zinc/01/74/36/722017436.db2.gz STUJIQCNOOSUMI-UHFFFAOYSA-N 1 0 487.629 4.137 20 0 JIADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955218 722020666 /nfs/dbraw/zinc/02/06/66/722020666.db2.gz AJASAZLRWAEARL-NTMALXAHSA-N 1 0 491.636 4.140 20 0 JIADRO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)c23)C1 ZINC001164964271 722055943 /nfs/dbraw/zinc/05/59/43/722055943.db2.gz UHQMDXRUIMYONM-LJQANCHMSA-N 1 0 463.651 4.330 20 0 JIADRO c1csc(-c2noc(-c3ccnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c3)n2)c1 ZINC001164960661 722060901 /nfs/dbraw/zinc/06/09/01/722060901.db2.gz GEMUDFXRPUCOJE-UHFFFAOYSA-N 1 0 488.617 4.374 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164981615 722106837 /nfs/dbraw/zinc/10/68/37/722106837.db2.gz LUAUQSKNXKRVJG-LPHOPBHVSA-N 1 0 477.918 4.090 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164977364 722114226 /nfs/dbraw/zinc/11/42/26/722114226.db2.gz MTAZDFIJTQXXQM-JXFKEZNVSA-N 1 0 477.918 4.090 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979629 722148097 /nfs/dbraw/zinc/14/80/97/722148097.db2.gz LPTAFFMXRVKMFS-NZQKXSOJSA-N 1 0 485.966 4.464 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982546 722148197 /nfs/dbraw/zinc/14/81/97/722148197.db2.gz RPJGWGJUBQLFKI-KCWPFWIISA-N 1 0 481.600 4.428 20 0 JIADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164975163 722151266 /nfs/dbraw/zinc/15/12/66/722151266.db2.gz DZRQMWLRTCKPBI-LEAFIULHSA-N 1 0 484.648 4.256 20 0 JIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973807 722151831 /nfs/dbraw/zinc/15/18/31/722151831.db2.gz MDLWZPKGXGQLIS-OXJNMPFZSA-N 1 0 459.928 4.343 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974780 722154381 /nfs/dbraw/zinc/15/43/81/722154381.db2.gz QDAVLSQLHVLSSM-OFNKIYASSA-N 1 0 465.985 4.353 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974770 722154505 /nfs/dbraw/zinc/15/45/05/722154505.db2.gz PQVIZFYWORZVAE-OFNKIYASSA-N 1 0 465.985 4.353 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974778 722154900 /nfs/dbraw/zinc/15/49/00/722154900.db2.gz QDAVLSQLHVLSSM-NFBKMPQASA-N 1 0 465.985 4.353 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1 ZINC001164989774 722187318 /nfs/dbraw/zinc/18/73/18/722187318.db2.gz JWVWZKQJMUSCRG-CMTIAEDTSA-N 1 0 482.694 4.201 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997320 722199756 /nfs/dbraw/zinc/19/97/56/722199756.db2.gz ZHRSMQCZRJODMZ-QFIPXVFZSA-N 1 0 464.994 4.413 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3scc(-c4cccs4)c31)CCC2 ZINC001164999598 722251964 /nfs/dbraw/zinc/25/19/64/722251964.db2.gz DKAODBMROYZWKJ-UHFFFAOYSA-N 1 0 454.625 4.105 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001165004714 722257397 /nfs/dbraw/zinc/25/73/97/722257397.db2.gz UVBVJIXYQNAGKS-UHFFFAOYSA-N 1 0 455.006 4.099 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001300646224 1069319348 /nfs/dbraw/zinc/31/93/48/1069319348.db2.gz GHKLEFXHNFNWAJ-LEWJYISDSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001300646225 1069319577 /nfs/dbraw/zinc/31/95/77/1069319577.db2.gz GHKLEFXHNFNWAJ-NHCUHLMSSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1nc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001354544316 1069319540 /nfs/dbraw/zinc/31/95/40/1069319540.db2.gz AEKMMIMFCBNXLS-HXUWFJFHSA-N 1 0 457.500 4.102 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300650406 1069332113 /nfs/dbraw/zinc/33/21/13/1069332113.db2.gz XPHSYTLORAWKOY-RUZDIDTESA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1scnc1C ZINC001300651976 1069338526 /nfs/dbraw/zinc/33/85/26/1069338526.db2.gz IBCRATRNDPXCQL-UHFFFAOYSA-N 1 0 484.670 4.184 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001300652289 1069339280 /nfs/dbraw/zinc/33/92/80/1069339280.db2.gz PONJEVDJDIDDIQ-OFVILXPXSA-N 1 0 485.673 4.237 20 0 JIADRO COCCC[NH+]1CCC(NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200717333 1069379832 /nfs/dbraw/zinc/37/98/32/1069379832.db2.gz HFCZCEDPFLANDD-UHFFFAOYSA-N 1 0 470.355 4.135 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCC[NH+]1CCCC1 ZINC001300670343 1069401126 /nfs/dbraw/zinc/40/11/26/1069401126.db2.gz SSEAMFNIZLQKTG-UHFFFAOYSA-N 1 0 473.687 4.459 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[NH+](C(C)C)C(C)C ZINC001359347203 1069419041 /nfs/dbraw/zinc/41/90/41/1069419041.db2.gz GOXUXLUUVGGAQR-PYCFMQQDSA-N 1 0 452.647 4.173 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359347506 1069420456 /nfs/dbraw/zinc/42/04/56/1069420456.db2.gz MLHRNVGSBUDXEO-NMFWXREBSA-N 1 0 464.658 4.176 20 0 JIADRO CC(=O)c1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359349630 1069426824 /nfs/dbraw/zinc/42/68/24/1069426824.db2.gz BCOMGFOIYFNWIP-XMMPIXPASA-N 1 0 484.664 4.265 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359351980 1069435293 /nfs/dbraw/zinc/43/52/93/1069435293.db2.gz FVPVNRVSSSGAJU-HSZRJFAPSA-N 1 0 466.674 4.069 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001359354303 1069439228 /nfs/dbraw/zinc/43/92/28/1069439228.db2.gz IOFFFPYZCXBKPJ-VWLOTQADSA-N 1 0 466.674 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300680559 1069444542 /nfs/dbraw/zinc/44/45/42/1069444542.db2.gz WSDZYARWVSQMPH-LEWJYISDSA-N 1 0 473.687 4.316 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001359358049 1069448790 /nfs/dbraw/zinc/44/87/90/1069448790.db2.gz SLVWSXLZSMOMQG-HSZRJFAPSA-N 1 0 466.674 4.213 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359362130 1069453210 /nfs/dbraw/zinc/45/32/10/1069453210.db2.gz RWLGDFIQKGSACC-QFIPXVFZSA-N 1 0 487.092 4.091 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359362129 1069453243 /nfs/dbraw/zinc/45/32/43/1069453243.db2.gz RWLGDFIQKGSACC-JOCHJYFZSA-N 1 0 487.092 4.091 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001359383027 1069487561 /nfs/dbraw/zinc/48/75/61/1069487561.db2.gz RIXVBTYWQYADEF-UXHICEINSA-N 1 0 491.080 4.086 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2cccs2)[NH+](C)C)[C@@H](C)C1 ZINC001359386064 1069494092 /nfs/dbraw/zinc/49/40/92/1069494092.db2.gz SIJQMSMPVMJDFG-OXJNMPFZSA-N 1 0 473.046 4.020 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001359387456 1069496892 /nfs/dbraw/zinc/49/68/92/1069496892.db2.gz HBYRLIFGQATEFG-HBMCJLEFSA-N 1 0 487.092 4.414 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+](C(C)C)C(C)C)CC12CCCCC2 ZINC001359390661 1069497413 /nfs/dbraw/zinc/49/74/13/1069497413.db2.gz JFBDFUNJXFTSPX-QHCPKHFHSA-N 1 0 474.694 4.010 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC001359393350 1069498582 /nfs/dbraw/zinc/49/85/82/1069498582.db2.gz QUYISVSTDLUMLW-CYFREDJKSA-N 1 0 487.092 4.090 20 0 JIADRO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC001359393353 1069498631 /nfs/dbraw/zinc/49/86/31/1069498631.db2.gz QUYISVSTDLUMLW-YADARESESA-N 1 0 487.092 4.090 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359396494 1069501545 /nfs/dbraw/zinc/50/15/45/1069501545.db2.gz CMYPIAJCDJIUJW-NRFANRHFSA-N 1 0 484.714 4.200 20 0 JIADRO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001359407154 1069515841 /nfs/dbraw/zinc/51/58/41/1069515841.db2.gz VTNDVQTYLMFOKZ-UHFFFAOYSA-N 1 0 452.647 4.328 20 0 JIADRO CC(=O)Nc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001359408781 1069520688 /nfs/dbraw/zinc/52/06/88/1069520688.db2.gz ZQHYLRSHRSLAAE-UHFFFAOYSA-N 1 0 493.681 4.247 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359411384 1069526589 /nfs/dbraw/zinc/52/65/89/1069526589.db2.gz KIRZGTBHCXPFJB-HLJPNSHOSA-N 1 0 478.641 4.251 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359433772 1069561985 /nfs/dbraw/zinc/56/19/85/1069561985.db2.gz PGRSCZNBPIUQOC-GOSISDBHSA-N 1 0 493.483 4.479 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001359444823 1069577521 /nfs/dbraw/zinc/57/75/21/1069577521.db2.gz VDRXGSJHJVVHHJ-SANMLTNESA-N 1 0 496.700 4.029 20 0 JIADRO CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359454635 1069579384 /nfs/dbraw/zinc/57/93/84/1069579384.db2.gz SCZLSGHGXLPORI-JOCHJYFZSA-N 1 0 482.673 4.016 20 0 JIADRO 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CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CC[NH+]1CCCCC1 ZINC001359517278 1069803964 /nfs/dbraw/zinc/80/39/64/1069803964.db2.gz RWUURFAEEZEEOO-HXUWFJFHSA-N 1 0 476.463 4.402 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001359523429 1069811696 /nfs/dbraw/zinc/81/16/96/1069811696.db2.gz NVPLZXVFCANZIF-QHCPKHFHSA-N 1 0 454.663 4.171 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001359528830 1069818724 /nfs/dbraw/zinc/81/87/24/1069818724.db2.gz XVKGCMDEJGIDLJ-GGAORHGYSA-N 1 0 457.638 4.237 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359529603 1069819958 /nfs/dbraw/zinc/81/99/58/1069819958.db2.gz ADYMYINEFXBVQI-NRFANRHFSA-N 1 0 496.700 4.276 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359537557 1069832695 /nfs/dbraw/zinc/83/26/95/1069832695.db2.gz DMVAAPHRFVXFKU-UHFFFAOYSA-N 1 0 480.701 4.010 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359541112 1069838428 /nfs/dbraw/zinc/83/84/28/1069838428.db2.gz PTXVHTJGKMKRMG-UHFFFAOYSA-N 1 0 476.065 4.148 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCC[NH+]1CCCC1 ZINC001359539285 1069836224 /nfs/dbraw/zinc/83/62/24/1069836224.db2.gz ATXPCXSXZKMXRH-UHFFFAOYSA-N 1 0 480.488 4.381 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[C@H]1C ZINC001300794970 1069847202 /nfs/dbraw/zinc/84/72/02/1069847202.db2.gz LUXBTXKAFNAGIG-FUHIMQAGSA-N 1 0 479.467 4.161 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001359547252 1069852015 /nfs/dbraw/zinc/85/20/15/1069852015.db2.gz IALLRTNHBMBWPV-MGBGTMOVSA-N 1 0 477.694 4.113 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001359547262 1069852162 /nfs/dbraw/zinc/85/21/62/1069852162.db2.gz IIQMMBLPBJOALH-UHFFFAOYSA-N 1 0 494.728 4.461 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)CCOCC2)CC1 ZINC001359546365 1069849998 /nfs/dbraw/zinc/84/99/98/1069849998.db2.gz BIWMUZOGUIKFOB-UHFFFAOYSA-N 1 0 461.054 4.368 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOC[C@H]2CCCO2)CC1 ZINC001359546633 1069850784 /nfs/dbraw/zinc/85/07/84/1069850784.db2.gz LKONWSXCIXOJIE-HSZRJFAPSA-N 1 0 455.647 4.089 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CC2CCOCC2)CC1 ZINC001359547739 1069853999 /nfs/dbraw/zinc/85/39/99/1069853999.db2.gz AVJDNQLSJUMOJS-UHFFFAOYSA-N 1 0 476.463 4.445 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001359547999 1069854407 /nfs/dbraw/zinc/85/44/07/1069854407.db2.gz KSVRZDIYRLEGTD-UHFFFAOYSA-N 1 0 456.541 4.300 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCCCOCCc2ccccc2)CC1 ZINC001359547931 1069854474 /nfs/dbraw/zinc/85/44/74/1069854474.db2.gz HQPFKOIXHYQXOG-UHFFFAOYSA-N 1 0 477.657 4.085 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(C3CCC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001359549048 1069857042 /nfs/dbraw/zinc/85/70/42/1069857042.db2.gz AWNAEMZXJLVZSK-UHFFFAOYSA-N 1 0 452.434 4.280 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001359548472 1069855100 /nfs/dbraw/zinc/85/51/00/1069855100.db2.gz BYGLGDCGVGOAEE-UHFFFAOYSA-N 1 0 473.065 4.358 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(F)cn2)CC1 ZINC001359549178 1069857141 /nfs/dbraw/zinc/85/71/41/1069857141.db2.gz FKLZBFZGULLYRM-UHFFFAOYSA-N 1 0 491.384 4.350 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCOc2ccccc2Cl)CC1 ZINC001359548978 1069857157 /nfs/dbraw/zinc/85/71/57/1069857157.db2.gz YNHLOAXOWZGNEV-UHFFFAOYSA-N 1 0 469.033 4.307 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001359561926 1069886226 /nfs/dbraw/zinc/88/62/26/1069886226.db2.gz HYDFNQAKCGCUNN-PMACEKPBSA-N 1 0 486.661 4.499 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001359560041 1069882517 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DYACIBQHPCZTRM-OAQYLSRUSA-N 1 0 455.647 4.191 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001315471310 1064310284 /nfs/dbraw/zinc/31/02/84/1064310284.db2.gz VWKDMUGGUMBKAV-HHHXNRCGSA-N 1 0 485.673 4.086 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)cc1F ZINC001315472854 1064313706 /nfs/dbraw/zinc/31/37/06/1064313706.db2.gz SQAFCQVZFWWNRL-UHFFFAOYSA-N 1 0 469.609 4.117 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001315474482 1064320490 /nfs/dbraw/zinc/32/04/90/1064320490.db2.gz IBUNTKXPJBOBED-GMAHTHKFSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1C ZINC001315474767 1064321333 /nfs/dbraw/zinc/32/13/33/1064321333.db2.gz NUTLYPRZECITLN-UHFFFAOYSA-N 1 0 478.641 4.183 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)cc1F ZINC001315475931 1064325842 /nfs/dbraw/zinc/32/58/42/1064325842.db2.gz DXIJCZDRSUJHKY-DENIHFKCSA-N 1 0 457.550 4.200 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001315477150 1064329837 /nfs/dbraw/zinc/32/98/37/1064329837.db2.gz XFJKNWNXIJWPQU-FQEVSTJZSA-N 1 0 464.614 4.116 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001315477195 1064330551 /nfs/dbraw/zinc/33/05/51/1064330551.db2.gz XWBCGHQWVBERCM-UHFFFAOYSA-N 1 0 453.587 4.376 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC001315482070 1064344473 /nfs/dbraw/zinc/34/44/73/1064344473.db2.gz XBWIATUCBQPTBU-SELNLUPBSA-N 1 0 459.610 4.282 20 0 JIADRO COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1Br ZINC001315492575 1064378681 /nfs/dbraw/zinc/37/86/81/1064378681.db2.gz VVLBPVUHGZOMMG-UHFFFAOYSA-N 1 0 499.457 4.470 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC001315499938 1064398775 /nfs/dbraw/zinc/39/87/75/1064398775.db2.gz FQXYMHPDAXCQCM-LJQANCHMSA-N 1 0 476.463 4.361 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001315514577 1064459748 /nfs/dbraw/zinc/45/97/48/1064459748.db2.gz TWKOYIHPSSPGQB-UHFFFAOYSA-N 1 0 476.065 4.441 20 0 JIADRO COc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315515991 1064464127 /nfs/dbraw/zinc/46/41/27/1064464127.db2.gz ONFMOPTWCVECKK-UHFFFAOYSA-N 1 0 466.605 4.401 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001315520657 1064483179 /nfs/dbraw/zinc/48/31/79/1064483179.db2.gz QPBAHOPJLLXZTR-NRFANRHFSA-N 1 0 455.647 4.407 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001315529781 1064512058 /nfs/dbraw/zinc/51/20/58/1064512058.db2.gz NGCUGUKRBVNVOP-NMNUPHIUSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001315531401 1064516231 /nfs/dbraw/zinc/51/62/31/1064516231.db2.gz XQNHSEPHHHENBS-UHFFFAOYSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001315531505 1064516952 /nfs/dbraw/zinc/51/69/52/1064516952.db2.gz HHHBLVSEJZEFAN-NBGIEHNGSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001315536023 1064527726 /nfs/dbraw/zinc/52/77/26/1064527726.db2.gz URDMBDKSFPADRP-IDISGSTGSA-N 1 0 487.689 4.483 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315539334 1064534385 /nfs/dbraw/zinc/53/43/85/1064534385.db2.gz SULOHSHMPXXREJ-NHCUHLMSSA-N 1 0 493.656 4.015 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001315540200 1064535819 /nfs/dbraw/zinc/53/58/19/1064535819.db2.gz BKPCLDFOYFLDRE-JIPXPUAJSA-N 1 0 480.657 4.318 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001315540202 1064535889 /nfs/dbraw/zinc/53/58/89/1064535889.db2.gz BKPCLDFOYFLDRE-KDYSTLNUSA-N 1 0 480.657 4.318 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(CC(C)C)C2CCCC2)[NH+](C)C)c1 ZINC001315544223 1064546317 /nfs/dbraw/zinc/54/63/17/1064546317.db2.gz BGXJLMMDSRIFDW-XMMPIXPASA-N 1 0 482.673 4.231 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544249 1064546558 /nfs/dbraw/zinc/54/65/58/1064546558.db2.gz BTHLDAFZJHSMST-GGBSJPMNSA-N 1 0 498.716 4.388 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)SC)CC2)c1 ZINC001315545372 1064551055 /nfs/dbraw/zinc/55/10/55/1064551055.db2.gz NQGWDHIVWXDUBZ-IBGZPJMESA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001315545903 1064551717 /nfs/dbraw/zinc/55/17/17/1064551717.db2.gz PZRMIMDRCWEYCF-NFBKMPQASA-N 1 0 483.579 4.243 20 0 JIADRO COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCCCC2)[NH+]2CCCC2)c1 ZINC001315545922 1064551897 /nfs/dbraw/zinc/55/18/97/1064551897.db2.gz QDOPXCNAQTYVLF-DEOSSOPVSA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc([C@H](Cn2c(N3C[C@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315547738 1064557927 /nfs/dbraw/zinc/55/79/27/1064557927.db2.gz CKBMYPROIPVFKD-IRLDBZIGSA-N 1 0 455.647 4.019 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548040 1064558768 /nfs/dbraw/zinc/55/87/68/1064558768.db2.gz FNPQBUSBABWVCQ-QFIPXVFZSA-N 1 0 471.646 4.009 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)Cc3cnn(C)c3C)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548158 1064559777 /nfs/dbraw/zinc/55/97/77/1064559777.db2.gz GUTFAYKOFJBCTP-HSZRJFAPSA-N 1 0 465.646 4.100 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2nccs2)[NH+](C)C)c1 ZINC001315548327 1064560281 /nfs/dbraw/zinc/56/02/81/1064560281.db2.gz ZMPJWDAIXPWEFI-NRFANRHFSA-N 1 0 463.611 4.053 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](C)CC2)[NH+](C)C)c1 ZINC001315548429 1064560419 /nfs/dbraw/zinc/56/04/19/1064560419.db2.gz IOKHSLFOTWHVFN-YADARESESA-N 1 0 465.646 4.078 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315548796 1064561632 /nfs/dbraw/zinc/56/16/32/1064561632.db2.gz MYBICVIBBFCWIM-RBBKRZOGSA-N 1 0 488.558 4.354 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315548794 1064561972 /nfs/dbraw/zinc/56/19/72/1064561972.db2.gz MYBICVIBBFCWIM-IFMALSPDSA-N 1 0 488.558 4.354 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC(C)(c4nc(C)no4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315549192 1064563081 /nfs/dbraw/zinc/56/30/81/1064563081.db2.gz PWCFLOYKGTVQFJ-NRFANRHFSA-N 1 0 481.645 4.137 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)C[C@@H]3CCCOC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549178 1064563254 /nfs/dbraw/zinc/56/32/54/1064563254.db2.gz PSCKNNFREHNCHI-REWPJTCUSA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001315549474 1064564609 /nfs/dbraw/zinc/56/46/09/1064564609.db2.gz QLTIMWWLBGREGZ-HXUWFJFHSA-N 1 0 482.698 4.486 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001315549853 1064565530 /nfs/dbraw/zinc/56/55/30/1064565530.db2.gz SLVAHEZBUODBSU-RPBOFIJWSA-N 1 0 492.668 4.359 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315550677 1064567683 /nfs/dbraw/zinc/56/76/83/1064567683.db2.gz ZDPRZFMXWRFMOP-ZEQRLZLVSA-N 1 0 480.682 4.153 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315553247 1064570163 /nfs/dbraw/zinc/57/01/63/1064570163.db2.gz XGXQMIPETVPAFP-BDTNDASRSA-N 1 0 453.631 4.246 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001315555760 1064574584 /nfs/dbraw/zinc/57/45/84/1064574584.db2.gz KBWZRUSNUWPBLI-UHFFFAOYSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558622 1064581527 /nfs/dbraw/zinc/58/15/27/1064581527.db2.gz CNYWEVPFMOHXQC-IFMALSPDSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315559326 1064583867 /nfs/dbraw/zinc/58/38/67/1064583867.db2.gz BMGCCUPGZMFEHD-SWYRRKHMSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315559329 1064584176 /nfs/dbraw/zinc/58/41/76/1064584176.db2.gz BMGCCUPGZMFEHD-YPCDYVTLSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315559601 1064584281 /nfs/dbraw/zinc/58/42/81/1064584281.db2.gz CTAKQBWAJBERSB-ISKFKSNPSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315559815 1064584601 /nfs/dbraw/zinc/58/46/01/1064584601.db2.gz XCBNRWJXTAWBPN-FQEVSTJZSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001315560663 1064586253 /nfs/dbraw/zinc/58/62/53/1064586253.db2.gz DASAGGAKVDBWTP-QFIPXVFZSA-N 1 0 496.700 4.321 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(c4cccs4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315563610 1064591936 /nfs/dbraw/zinc/59/19/36/1064591936.db2.gz OBCAAWRHKRERKL-NRFANRHFSA-N 1 0 468.671 4.318 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001315570592 1064612342 /nfs/dbraw/zinc/61/23/42/1064612342.db2.gz MRLMWNSXTWPIBB-BKULYWANSA-N 1 0 455.647 4.235 20 0 JIADRO COc1cccc([C@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)C[NH+](C)C)CCO2)c1 ZINC001315573747 1064625310 /nfs/dbraw/zinc/62/53/10/1064625310.db2.gz RUTOIOHUYDPBBT-WXFUMESZSA-N 1 0 499.700 4.371 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001315574187 1064627331 /nfs/dbraw/zinc/62/73/31/1064627331.db2.gz XHOLAMDHWQESMU-GOTSBHOMSA-N 1 0 469.655 4.428 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315578614 1064640884 /nfs/dbraw/zinc/64/08/84/1064640884.db2.gz MXHFWMVCQIISHX-HSZRJFAPSA-N 1 0 462.623 4.273 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(CC(C)C)n3CC3([NH+](C)C)CCCC3)C2)c1 ZINC001315581652 1064647634 /nfs/dbraw/zinc/64/76/34/1064647634.db2.gz KFLHVMWHQMULMZ-HSZRJFAPSA-N 1 0 455.647 4.155 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315583805 1064656463 /nfs/dbraw/zinc/65/64/63/1064656463.db2.gz TYGJOCIPVMJJMT-OAQYLSRUSA-N 1 0 472.653 4.388 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315593267 1064687289 /nfs/dbraw/zinc/68/72/89/1064687289.db2.gz ANOGLAGKECFLDU-TZIWHRDSSA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315595894 1064695599 /nfs/dbraw/zinc/69/55/99/1064695599.db2.gz JPJBLJLCGUDMHC-URVUXULASA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315599050 1064702984 /nfs/dbraw/zinc/70/29/84/1064702984.db2.gz OIRRHMVRBYTOIO-SFHVURJKSA-N 1 0 493.574 4.424 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315599256 1064704301 /nfs/dbraw/zinc/70/43/01/1064704301.db2.gz GFDRIMCTIZFVNU-HXUWFJFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315600384 1064707584 /nfs/dbraw/zinc/70/75/84/1064707584.db2.gz XQFNCAXXSRXDEJ-HOYKHHGWSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315600810 1064708605 /nfs/dbraw/zinc/70/86/05/1064708605.db2.gz QLTIJXXRGZPLCK-OAQYLSRUSA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315601997 1064711729 /nfs/dbraw/zinc/71/17/29/1064711729.db2.gz QYVGCIIOBNCEGZ-FGZHOGPDSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001315602474 1064712166 /nfs/dbraw/zinc/71/21/66/1064712166.db2.gz YTWMZGRGOIUCJY-AABGKKOBSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCCNC(=O)C(C)C ZINC001315603539 1064715102 /nfs/dbraw/zinc/71/51/02/1064715102.db2.gz HCHCYKFBNGGXRV-DHIUTWEWSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001315604328 1064716904 /nfs/dbraw/zinc/71/69/04/1064716904.db2.gz HPCPWEZCXYSAIK-UHFFFAOYSA-N 1 0 479.673 4.474 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001315604481 1064717247 /nfs/dbraw/zinc/71/72/47/1064717247.db2.gz JBOZWSOPCIZVCJ-UHFFFAOYSA-N 1 0 486.661 4.130 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001315605455 1064719377 /nfs/dbraw/zinc/71/93/77/1064719377.db2.gz UCUVHLOVBCMNOG-UHFFFAOYSA-N 1 0 452.603 4.208 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001315612072 1064732766 /nfs/dbraw/zinc/73/27/66/1064732766.db2.gz GFRKKBMJGVGQBA-REWPJTCUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315612893 1064734959 /nfs/dbraw/zinc/73/49/59/1064734959.db2.gz KWMJEIYJAWFKSH-DPLHUUCSSA-N 1 0 455.647 4.499 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001315613495 1064737085 /nfs/dbraw/zinc/73/70/85/1064737085.db2.gz PLVVVGCEMBNALQ-FGZHOGPDSA-N 1 0 469.674 4.106 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315616384 1064743396 /nfs/dbraw/zinc/74/33/96/1064743396.db2.gz LZCGTGKNMWXBBV-OAQYLSRUSA-N 1 0 496.725 4.032 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315616386 1064744000 /nfs/dbraw/zinc/74/40/00/1064744000.db2.gz MBGYPELIZNGPIC-VABKMULXSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@H]2CCSC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315616709 1064744473 /nfs/dbraw/zinc/74/44/73/1064744473.db2.gz UGLHGBBDABHHBN-QFIPXVFZSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315617273 1064746088 /nfs/dbraw/zinc/74/60/88/1064746088.db2.gz DDQTYPRDHGUSFL-PMACEKPBSA-N 1 0 468.671 4.133 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315618670 1064749888 /nfs/dbraw/zinc/74/98/88/1064749888.db2.gz OZAIGLJIKKBBKP-RTWAWAEBSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315619337 1064751934 /nfs/dbraw/zinc/75/19/34/1064751934.db2.gz RVDJQGJKZYCNHU-LEWJYISDSA-N 1 0 469.655 4.247 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315621060 1064755249 /nfs/dbraw/zinc/75/52/49/1064755249.db2.gz CQYVRRTYVHOTMV-NCYKPQTJSA-N 1 0 457.688 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315623117 1064760791 /nfs/dbraw/zinc/76/07/91/1064760791.db2.gz UVWUEZGTIMFRRV-CJFMBICVSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315623557 1064762073 /nfs/dbraw/zinc/76/20/73/1064762073.db2.gz PKPRCIQAKCIPGH-IMSXRSKXSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(C)(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315623953 1064763078 /nfs/dbraw/zinc/76/30/78/1064763078.db2.gz ZFUYQBFRFVJRGO-UHFFFAOYSA-N 1 0 481.685 4.295 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315625591 1064767166 /nfs/dbraw/zinc/76/71/66/1064767166.db2.gz MHCIXFCPQLJMDA-IBGZPJMESA-N 1 0 455.647 4.144 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001315627012 1064772001 /nfs/dbraw/zinc/77/20/01/1064772001.db2.gz XZSIDCDUXJCNMN-BKMJKUGQSA-N 1 0 469.674 4.296 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001315630071 1064778994 /nfs/dbraw/zinc/77/89/94/1064778994.db2.gz VGBPIHCIVYUHBF-LADGPHEKSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315631981 1064783698 /nfs/dbraw/zinc/78/36/98/1064783698.db2.gz OYSYAIADOCBIMG-RZIGYZOXSA-N 1 0 499.700 4.018 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315632310 1064785008 /nfs/dbraw/zinc/78/50/08/1064785008.db2.gz VIOXHEXMFOHOBH-PKOBYXMFSA-N 1 0 457.669 4.184 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315633619 1064788089 /nfs/dbraw/zinc/78/80/89/1064788089.db2.gz OYYSINZAGZBPCL-UHFFFAOYSA-N 1 0 462.642 4.073 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315639974 1064801664 /nfs/dbraw/zinc/80/16/64/1064801664.db2.gz ULXZZZYBWMVDLW-UHFFFAOYSA-N 1 0 486.711 4.106 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2ccc(C)o2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315640095 1064802334 /nfs/dbraw/zinc/80/23/34/1064802334.db2.gz RGLJUTTXQMQNHE-CCLHPLFOSA-N 1 0 481.641 4.365 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1C(C)(C)C ZINC001315650459 1064828595 /nfs/dbraw/zinc/82/85/95/1064828595.db2.gz QEZRPCNPPJBVAE-RTWAWAEBSA-N 1 0 455.647 4.364 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315652390 1064835562 /nfs/dbraw/zinc/83/55/62/1064835562.db2.gz RGZVDMYMMSAKOF-RXVVDRJESA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315653465 1064838350 /nfs/dbraw/zinc/83/83/50/1064838350.db2.gz JHQOTXVGRUHOTG-GREBRCKQSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001315654372 1064841008 /nfs/dbraw/zinc/84/10/08/1064841008.db2.gz BDLDYBLCJKPOMB-GOSISDBHSA-N 1 0 482.629 4.195 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001315656428 1064847336 /nfs/dbraw/zinc/84/73/36/1064847336.db2.gz OMCMOLBPWWOZKG-OAQYLSRUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCCCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315657315 1064849330 /nfs/dbraw/zinc/84/93/30/1064849330.db2.gz LZOVYZFAJBZJJL-FGZHOGPDSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001315657961 1064850438 /nfs/dbraw/zinc/85/04/38/1064850438.db2.gz FUVPBJXZWCZDJH-KURKYZTESA-N 1 0 493.530 4.396 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[NH+]1CCCCCC1 ZINC001315658581 1064852442 /nfs/dbraw/zinc/85/24/42/1064852442.db2.gz QFXUWMDJYUACNS-NRFANRHFSA-N 1 0 473.687 4.464 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1CCC(OC)CC1 ZINC001315659896 1064855653 /nfs/dbraw/zinc/85/56/53/1064855653.db2.gz YIJYFHUHYGFWQU-UHFFFAOYSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001315662869 1064867302 /nfs/dbraw/zinc/86/73/02/1064867302.db2.gz ACKCIMCGNBVNSB-HXUWFJFHSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001315663340 1064869258 /nfs/dbraw/zinc/86/92/58/1064869258.db2.gz IDMKRFQQNDJLDL-CTNGQTDRSA-N 1 0 473.687 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)C(C)C ZINC001315663732 1064871579 /nfs/dbraw/zinc/87/15/79/1064871579.db2.gz KEBQKUQHOVKWJQ-QFQXNSOFSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1CC[N@H+](C)C1CCCC1 ZINC001315664049 1064872792 /nfs/dbraw/zinc/87/27/92/1064872792.db2.gz OKWNCKXEKLUYIL-UHFFFAOYSA-N 1 0 451.587 4.299 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315665500 1064879288 /nfs/dbraw/zinc/87/92/88/1064879288.db2.gz QHZITBVWLVDAOH-NNMXDRDESA-N 1 0 485.654 4.336 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315666930 1064885181 /nfs/dbraw/zinc/88/51/81/1064885181.db2.gz AROVCPFUSGOQED-OALUTQOASA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCSC(C)(C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001315667342 1064887043 /nfs/dbraw/zinc/88/70/43/1064887043.db2.gz DADFYOKOVPKHQH-SFHVURJKSA-N 1 0 461.701 4.251 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315667817 1064888870 /nfs/dbraw/zinc/88/88/70/1064888870.db2.gz JBPCKGSSCPMYPC-FXAWDEMLSA-N 1 0 499.603 4.078 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@](C)(O)C(C)C ZINC001315667719 1064888936 /nfs/dbraw/zinc/88/89/36/1064888936.db2.gz OPNKHSDHEIPJFH-NLFFAJNJSA-N 1 0 473.687 4.051 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001315669286 1064896066 /nfs/dbraw/zinc/89/60/66/1064896066.db2.gz UJNPCIUSKYDZAA-HXUWFJFHSA-N 1 0 473.687 4.459 20 0 JIADRO COC1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001315679414 1064919726 /nfs/dbraw/zinc/91/97/26/1064919726.db2.gz KPXUZIZWRITXMO-UHFFFAOYSA-N 1 0 482.673 4.273 20 0 JIADRO COC1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001315681519 1064926368 /nfs/dbraw/zinc/92/63/68/1064926368.db2.gz SRMWPJNRYMVBPQ-UHFFFAOYSA-N 1 0 493.494 4.218 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001315703764 1064968839 /nfs/dbraw/zinc/96/88/39/1064968839.db2.gz FMAFDBYVJSBXSB-UHFFFAOYSA-N 1 0 499.512 4.423 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC2)CC1 ZINC001315703442 1064968923 /nfs/dbraw/zinc/96/89/23/1064968923.db2.gz BXFGKWCYSODRQI-SFHVURJKSA-N 1 0 459.610 4.293 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001315703862 1064969446 /nfs/dbraw/zinc/96/94/46/1064969446.db2.gz GTZGFPDDRGUHTA-OAQYLSRUSA-N 1 0 497.663 4.366 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(C)cs2)CC1 ZINC001315704295 1064969534 /nfs/dbraw/zinc/96/95/34/1064969534.db2.gz NGLOYJSUQAVODC-UHFFFAOYSA-N 1 0 454.644 4.236 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001315704675 1064972269 /nfs/dbraw/zinc/97/22/69/1064972269.db2.gz JHJIIMWSFOIFFU-UHFFFAOYSA-N 1 0 469.674 4.167 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001315704992 1064972988 /nfs/dbraw/zinc/97/29/88/1064972988.db2.gz MPKBTINNXHRJEQ-JOCHJYFZSA-N 1 0 463.736 4.478 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(C)(C)C)CC1 ZINC001315706062 1064976898 /nfs/dbraw/zinc/97/68/98/1064976898.db2.gz RBDHCIQUCDEGKN-UHFFFAOYSA-N 1 0 457.619 4.046 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001315706207 1064977433 /nfs/dbraw/zinc/97/74/33/1064977433.db2.gz SKOPSBKQLNGMLU-SFHVURJKSA-N 1 0 495.590 4.367 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001315706705 1064978778 /nfs/dbraw/zinc/97/87/78/1064978778.db2.gz WFGJIBFJWLBHPY-MOPGFXCFSA-N 1 0 491.677 4.216 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001315707594 1064982055 /nfs/dbraw/zinc/98/20/55/1064982055.db2.gz MAGJZLRRHNQRJN-IEBWSBKVSA-N 1 0 450.052 4.323 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCSCC2)CC[C@H]1C ZINC001315713092 1064997450 /nfs/dbraw/zinc/99/74/50/1064997450.db2.gz FAEKHJYPPMXFPI-QPPBQGQZSA-N 1 0 487.714 4.280 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1(C)C ZINC001315715955 1065005887 /nfs/dbraw/zinc/00/58/87/1065005887.db2.gz MKWZNNROMAJNIF-DBXWQHBBSA-N 1 0 476.065 4.348 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001315718346 1065011721 /nfs/dbraw/zinc/01/17/21/1065011721.db2.gz YJYXQEQCPCSMCG-XPGLHSPVSA-N 1 0 499.700 4.253 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CC2)[NH+](C)C)CC[C@@H]1C ZINC001315719079 1065013103 /nfs/dbraw/zinc/01/31/03/1065013103.db2.gz ZOHXNMSBGXPLOS-UYLMIGBBSA-N 1 0 455.647 4.236 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC[C@H]1C ZINC001315730675 1065028505 /nfs/dbraw/zinc/02/85/05/1065028505.db2.gz VAFMBZCHOJWQGL-PXDATVDWSA-N 1 0 462.642 4.014 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC001315732999 1065032053 /nfs/dbraw/zinc/03/20/53/1065032053.db2.gz FTINSUKGFLLFBE-XZOQPEGZSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1(C)C ZINC001315735799 1065037768 /nfs/dbraw/zinc/03/77/68/1065037768.db2.gz MIENCYPVVAOYAD-GMAHTHKFSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1(C)C ZINC001315736867 1065039824 /nfs/dbraw/zinc/03/98/24/1065039824.db2.gz QFPSKXKKGDCPQT-CQOQZXRMSA-N 1 0 469.674 4.395 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315737635 1065041580 /nfs/dbraw/zinc/04/15/80/1065041580.db2.gz VEGQANNOFSVWKC-VWNXMTODSA-N 1 0 469.674 4.456 20 0 JIADRO 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316274170 1066023556 /nfs/dbraw/zinc/02/35/56/1066023556.db2.gz NUVCDDVDYMJKBR-LEDOBFOHSA-N 1 0 491.627 4.427 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001316277493 1066030558 /nfs/dbraw/zinc/03/05/58/1066030558.db2.gz UQJNDWWOKKWGHU-LWSSLDFYSA-N 1 0 459.679 4.163 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316279221 1066033058 /nfs/dbraw/zinc/03/30/58/1066033058.db2.gz DDNDLLGSBVPASA-WWNPGLIZSA-N 1 0 459.679 4.305 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316279628 1066033735 /nfs/dbraw/zinc/03/37/35/1066033735.db2.gz ACQSYMAENZVHGS-MBDNFAEBSA-N 1 0 461.695 4.385 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001316285032 1066041425 /nfs/dbraw/zinc/04/14/25/1066041425.db2.gz JQPZTBWYLOWEEF-UWVAXJGDSA-N 1 0 472.461 4.166 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316285440 1066042337 /nfs/dbraw/zinc/04/23/37/1066042337.db2.gz PAYZAVNHQVYTFX-NYUBLWNDSA-N 1 0 486.488 4.269 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001316286050 1066042749 /nfs/dbraw/zinc/04/27/49/1066042749.db2.gz PBKRNIMUCRKSMH-PMVMPFDFSA-N 1 0 455.647 4.007 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCc1ccc(F)cc1C ZINC001316287589 1066045560 /nfs/dbraw/zinc/04/55/60/1066045560.db2.gz QIKMWEJYTIYCGA-ZCYQVOJMSA-N 1 0 487.664 4.249 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001316291107 1066051374 /nfs/dbraw/zinc/05/13/74/1066051374.db2.gz CYMORGWULUMOBV-KJBBBAAKSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(OCC(C)C)cc1 ZINC001316294670 1066055923 /nfs/dbraw/zinc/05/59/23/1066055923.db2.gz BPXUIIJCLSFLEC-UPVQGACJSA-N 1 0 485.673 4.006 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC1CCC(OC)CC1 ZINC001316297353 1066057879 /nfs/dbraw/zinc/05/78/79/1066057879.db2.gz SEMYFHCUSIMICQ-WDTLCOQZSA-N 1 0 491.721 4.156 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316313230 1066069224 /nfs/dbraw/zinc/06/92/24/1066069224.db2.gz WCODPYQDQSRMEJ-GOSISDBHSA-N 1 0 494.503 4.069 20 0 JIADRO CON(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001316314323 1066070690 /nfs/dbraw/zinc/07/06/90/1066070690.db2.gz SQGHHOOEHSWDRY-QUCCMNQESA-N 1 0 472.634 4.477 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316315500 1066071849 /nfs/dbraw/zinc/07/18/49/1066071849.db2.gz NLDJKRVTACGHKL-SJLPKXTDSA-N 1 0 480.426 4.192 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1OC ZINC001316329168 1066085043 /nfs/dbraw/zinc/08/50/43/1066085043.db2.gz OZRPBZRDZZCFQN-KJMYBWGMSA-N 1 0 499.700 4.395 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001316329495 1066085495 /nfs/dbraw/zinc/08/54/95/1066085495.db2.gz SPSSWQCNZWYLJU-VWNXMTODSA-N 1 0 455.647 4.354 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001316329492 1066085538 /nfs/dbraw/zinc/08/55/38/1066085538.db2.gz SPSSWQCNZWYLJU-UPVQGACJSA-N 1 0 455.647 4.354 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1OC ZINC001316333945 1066088883 /nfs/dbraw/zinc/08/88/83/1066088883.db2.gz KKRPTKQFVZKDSX-SDUSCBPUSA-N 1 0 499.700 4.269 20 0 JIADRO CS(=O)(=O)CCCCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316344277 1066095251 /nfs/dbraw/zinc/09/52/51/1066095251.db2.gz HJFWBEUUCNMUGY-UHFFFAOYSA-N 1 0 491.677 4.001 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001316368146 1066112775 /nfs/dbraw/zinc/11/27/75/1066112775.db2.gz PLJKEBNLWNXRJR-UHFFFAOYSA-N 1 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CS[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384307 1066153357 /nfs/dbraw/zinc/15/33/57/1066153357.db2.gz SRRIXPNCACXWQG-NHCUHLMSSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316388465 1066160586 /nfs/dbraw/zinc/16/05/86/1066160586.db2.gz VHPWBPFRZSKRFL-BDTNDASRSA-N 1 0 471.715 4.140 20 0 JIADRO CS[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316390739 1066163919 /nfs/dbraw/zinc/16/39/19/1066163919.db2.gz UTMCMGLINMJDRK-WOJBJXKFSA-N 1 0 492.734 4.209 20 0 JIADRO CS[C@@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316390738 1066163986 /nfs/dbraw/zinc/16/39/86/1066163986.db2.gz UTMCMGLINMJDRK-VQTJNVASSA-N 1 0 492.734 4.209 20 0 JIADRO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)(C)C ZINC001316391262 1066164586 /nfs/dbraw/zinc/16/45/86/1066164586.db2.gz IATHZBSXJMAZIQ-AJSBUHFISA-N 1 0 490.762 4.092 20 0 JIADRO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C(C)(C)C ZINC001316395073 1066171153 /nfs/dbraw/zinc/17/11/53/1066171153.db2.gz LHRCAHHHJBMKOX-WPFOTENUSA-N 1 0 499.773 4.036 20 0 JIADRO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C(C)(C)C ZINC001316395071 1066171160 /nfs/dbraw/zinc/17/11/60/1066171160.db2.gz LHRCAHHHJBMKOX-CQOQZXRMSA-N 1 0 499.773 4.036 20 0 JIADRO CS[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)(C)C ZINC001316395796 1066172393 /nfs/dbraw/zinc/17/23/93/1066172393.db2.gz QYFANOFASWCIOD-DEOSSOPVSA-N 1 0 495.741 4.287 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC001316401418 1066179393 /nfs/dbraw/zinc/17/93/93/1066179393.db2.gz AQWGBSRFJDJQNI-HNNXBMFYSA-N 1 0 467.481 4.099 20 0 JIADRO CSC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCOC2)CC[NH+](C)CC1 ZINC001316402819 1066181964 /nfs/dbraw/zinc/18/19/64/1066181964.db2.gz YYYCDZYTVSTRKF-SFHVURJKSA-N 1 0 495.640 4.237 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC[NH+](C)CC1 ZINC001316405683 1066188321 /nfs/dbraw/zinc/18/83/21/1066188321.db2.gz AISMSPZVUKLEJF-NRFANRHFSA-N 1 0 498.741 4.183 20 0 JIADRO CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)C2CCCCC2)CC[NH+](C)CC1 ZINC001316409609 1066195225 /nfs/dbraw/zinc/19/52/25/1066195225.db2.gz KQZDNLNVRRIRDD-NRFANRHFSA-N 1 0 473.735 4.372 20 0 JIADRO CSC1(Cn2c(N(C)[C@@H]3CCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411590 1066200773 /nfs/dbraw/zinc/20/07/73/1066200773.db2.gz PPLUQVVJKAFWCV-DNRQZRRGSA-N 1 0 479.735 4.161 20 0 JIADRO CSC1(Cn2c(N(C)c3ccc(C)cc3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411937 1066201830 /nfs/dbraw/zinc/20/18/30/1066201830.db2.gz XKOBEQSXJNWJIA-RUZDIDTESA-N 1 0 473.687 4.222 20 0 JIADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC[NH+](C)CC1 ZINC001316412345 1066202349 /nfs/dbraw/zinc/20/23/49/1066202349.db2.gz ILOMXPPDBSNMCU-SIKLNZKXSA-N 1 0 473.687 4.120 20 0 JIADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)CC[NH+](C)CC1 ZINC001316412531 1066202895 /nfs/dbraw/zinc/20/28/95/1066202895.db2.gz OLUNJMCTDFBBJG-XUVXKRRUSA-N 1 0 479.735 4.028 20 0 JIADRO CSC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001316412585 1066203036 /nfs/dbraw/zinc/20/30/36/1066203036.db2.gz PYCHYYPGPSXPLU-SFHVURJKSA-N 1 0 478.707 4.166 20 0 JIADRO CSc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)ccn1 ZINC001316415581 1066211883 /nfs/dbraw/zinc/21/18/83/1066211883.db2.gz UKUJCHPNXYTCOW-UHFFFAOYSA-N 1 0 450.656 4.272 20 0 JIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001324501764 1066221494 /nfs/dbraw/zinc/22/14/94/1066221494.db2.gz GWGCNMUTJFNAPT-SFHVURJKSA-N 1 0 471.374 4.416 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001316420527 1066224836 /nfs/dbraw/zinc/22/48/36/1066224836.db2.gz USIZWWIZQMKNRF-HXUWFJFHSA-N 1 0 493.681 4.406 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3csc(Cc4ccc(Cl)cc4)n3)cc21 ZINC001324763546 1066228871 /nfs/dbraw/zinc/22/88/71/1066228871.db2.gz OYSCZYIQQFDECV-UHFFFAOYSA-N 1 0 456.955 4.109 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001316421618 1066228860 /nfs/dbraw/zinc/22/88/60/1066228860.db2.gz DRKLTVVZBWITNF-NRFANRHFSA-N 1 0 464.079 4.167 20 0 JIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1nn(-c2ccccc2F)cc1Br ZINC001324830203 1066229209 /nfs/dbraw/zinc/22/92/09/1066229209.db2.gz CWTDEGRYQJEMRY-UHFFFAOYSA-N 1 0 477.403 4.477 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001316424501 1066239850 /nfs/dbraw/zinc/23/98/50/1066239850.db2.gz UWGUWVIKSLKMNM-NRFANRHFSA-N 1 0 477.122 4.346 20 0 JIADRO O=C(COC(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001325263096 1066242605 /nfs/dbraw/zinc/24/26/05/1066242605.db2.gz YOIQHASSPQVYHK-UHFFFAOYSA-N 1 0 475.467 4.136 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492499338 1066246399 /nfs/dbraw/zinc/24/63/99/1066246399.db2.gz MSXLBMDSYNUHJO-HSZRJFAPSA-N 1 0 469.033 4.295 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001492499325 1066246576 /nfs/dbraw/zinc/24/65/76/1066246576.db2.gz MGHRXTKBHXWNDA-FQEVSTJZSA-N 1 0 487.023 4.314 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001316426795 1066247816 /nfs/dbraw/zinc/24/78/16/1066247816.db2.gz DWDIIRQWEJAWBB-FCHUYYIVSA-N 1 0 478.106 4.091 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316427520 1066252058 /nfs/dbraw/zinc/25/20/58/1066252058.db2.gz JLMPSNXBJSHZPS-MOPGFXCFSA-N 1 0 460.673 4.252 20 0 JIADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001325498185 1066251919 /nfs/dbraw/zinc/25/19/19/1066251919.db2.gz JOTVCMPGCODPFU-UHFFFAOYSA-N 1 0 470.061 4.134 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427867 1066252679 /nfs/dbraw/zinc/25/26/79/1066252679.db2.gz LIJAUQQEEIKYLB-DHIUTWEWSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316428688 1066256520 /nfs/dbraw/zinc/25/65/20/1066256520.db2.gz QRYTXGBTIXHUIN-QHCPKHFHSA-N 1 0 468.646 4.257 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[NH+]1CCCCC1 ZINC001325687904 1066264048 /nfs/dbraw/zinc/26/40/48/1066264048.db2.gz YSVNXXNLPKDNGD-JOCHJYFZSA-N 1 0 488.613 4.389 20 0 JIADRO O=C(CC[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)Nc1ccc(Br)cc1F ZINC001325705073 1066265195 /nfs/dbraw/zinc/26/51/95/1066265195.db2.gz LWHLKZRLZGGKKB-OAQYLSRUSA-N 1 0 460.347 4.365 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001325765553 1066269436 /nfs/dbraw/zinc/26/94/36/1066269436.db2.gz ZGFTYGDCXLARTI-DEOSSOPVSA-N 1 0 492.023 4.055 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001316432919 1066276509 /nfs/dbraw/zinc/27/65/09/1066276509.db2.gz XZIYUCWNYLSJOT-LVXARBLLSA-N 1 0 487.714 4.077 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001316436410 1066288204 /nfs/dbraw/zinc/28/82/04/1066288204.db2.gz GUKGYGCGBMRBOH-QUCCMNQESA-N 1 0 451.644 4.196 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316438523 1066292903 /nfs/dbraw/zinc/29/29/03/1066292903.db2.gz TXNTZVZAIXXDBK-HBMCJLEFSA-N 1 0 457.688 4.473 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001316442080 1066303401 /nfs/dbraw/zinc/30/34/01/1066303401.db2.gz OCDVAZHUGQTBFO-UYAOXDASSA-N 1 0 450.052 4.183 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316443549 1066308022 /nfs/dbraw/zinc/30/80/22/1066308022.db2.gz DAJSFCGXBAAKNH-ROUUACIJSA-N 1 0 476.691 4.094 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001316444289 1066311167 /nfs/dbraw/zinc/31/11/67/1066311167.db2.gz BBQYDWLVJCOZKE-IBGZPJMESA-N 1 0 460.717 4.280 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001316444872 1066313149 /nfs/dbraw/zinc/31/31/49/1066313149.db2.gz KLIMMIOBQUNKCA-XZOQPEGZSA-N 1 0 493.725 4.437 20 0 JIADRO CCOC(=O)c1sc2[nH]c([C@@H](C)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)nc(=O)c2c1C ZINC001327321630 1066315470 /nfs/dbraw/zinc/31/54/70/1066315470.db2.gz SZCDMZDVYOKWFQ-GOSISDBHSA-N 1 0 468.623 4.047 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001316446431 1066317798 /nfs/dbraw/zinc/31/77/98/1066317798.db2.gz UETGREQYQAGUDS-CYFREDJKSA-N 1 0 485.727 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492506677 1066328213 /nfs/dbraw/zinc/32/82/13/1066328213.db2.gz LNMADJLPFVLNJV-SIKLNZKXSA-N 1 0 485.677 4.117 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492506972 1066329255 /nfs/dbraw/zinc/32/92/55/1066329255.db2.gz VIXZGTHRTLHNOO-SFHVURJKSA-N 1 0 478.563 4.117 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492507040 1066329792 /nfs/dbraw/zinc/32/97/92/1066329792.db2.gz XJELHDSPBRKGNE-QPPBQGQZSA-N 1 0 495.716 4.146 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001329441732 1066338779 /nfs/dbraw/zinc/33/87/79/1066338779.db2.gz KFYOVCHAUJJDIW-IBGZPJMESA-N 1 0 464.429 4.068 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492510377 1066340837 /nfs/dbraw/zinc/34/08/37/1066340837.db2.gz PJULZBNJVNEBPL-GMAHTHKFSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)n1 ZINC001492511862 1066347707 /nfs/dbraw/zinc/34/77/07/1066347707.db2.gz MNZFZJDGVSSYJG-RUZDIDTESA-N 1 0 468.671 4.174 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001492512071 1066349275 /nfs/dbraw/zinc/34/92/75/1066349275.db2.gz VCWRHEIGNXJUDG-FQEVSTJZSA-N 1 0 499.704 4.366 20 0 JIADRO Cc1cccc(-c2nnc(N3CCc4c(F)cc(F)cc4C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492513001 1066352353 /nfs/dbraw/zinc/35/23/53/1066352353.db2.gz WXUJMDBPSJRJBZ-FQEVSTJZSA-N 1 0 454.569 4.466 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514515 1066356154 /nfs/dbraw/zinc/35/61/54/1066356154.db2.gz SAWSVJCJFUQJRC-FCHUYYIVSA-N 1 0 481.689 4.044 20 0 JIADRO CSCCCN(C)c1nnc(Cc2ccsc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001316470085 1066376123 /nfs/dbraw/zinc/37/61/23/1066376123.db2.gz USDKLHMJDMWIOT-UHFFFAOYSA-N 1 0 465.758 4.481 20 0 JIADRO CSCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316471531 1066378767 /nfs/dbraw/zinc/37/87/67/1066378767.db2.gz CFRLPLMIHVVDMA-UHFFFAOYSA-N 1 0 452.466 4.428 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492518639 1066380111 /nfs/dbraw/zinc/38/01/11/1066380111.db2.gz LWYHSIRXVHVKBB-MFSJNOQSSA-N 1 0 493.622 4.232 20 0 JIADRO CSCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001316476209 1066387557 /nfs/dbraw/zinc/38/75/57/1066387557.db2.gz WQCAHEUTBSKHHZ-UHFFFAOYSA-N 1 0 452.466 4.428 20 0 JIADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316477942 1066390340 /nfs/dbraw/zinc/39/03/40/1066390340.db2.gz FNLYMICQEZGXJG-LJQANCHMSA-N 1 0 470.712 4.488 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CCOc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001334602242 1066397112 /nfs/dbraw/zinc/39/71/12/1066397112.db2.gz FFRGWTJZNASQDQ-IBGZPJMESA-N 1 0 452.382 4.289 20 0 JIADRO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC001492526788 1066417616 /nfs/dbraw/zinc/41/76/16/1066417616.db2.gz LUKWBZSAJCWCSW-VWLOTQADSA-N 1 0 476.669 4.059 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504044 1066473299 /nfs/dbraw/zinc/47/32/99/1066473299.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 1 0 488.746 4.266 20 0 JIADRO Cc1cccc(-n2c3nn(CN4CC[NH+](C(C)(C)C)CC4)c(=S)n3c3ccccc3c2=O)c1C ZINC001337565612 1066494001 /nfs/dbraw/zinc/49/40/01/1066494001.db2.gz YNNXPRUAMHKWHC-UHFFFAOYSA-N 1 0 476.650 4.160 20 0 JIADRO FC(F)(F)C1=CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001316512212 1066499082 /nfs/dbraw/zinc/49/90/82/1066499082.db2.gz XWKOMMFXHJVCTM-UHFFFAOYSA-N 1 0 469.939 4.410 20 0 JIADRO FC(F)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CC=CCC2)C1 ZINC001316516120 1066512451 /nfs/dbraw/zinc/51/24/51/1066512451.db2.gz GVXRFRBECKDJAB-INIZCTEOSA-N 1 0 466.374 4.451 20 0 JIADRO FC(F)(F)OCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316516707 1066514819 /nfs/dbraw/zinc/51/48/19/1066514819.db2.gz ZJXFMYBXVCROTJ-FQEVSTJZSA-N 1 0 473.584 4.191 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001338003623 1066524239 /nfs/dbraw/zinc/52/42/39/1066524239.db2.gz CQRSWRGAWMUMIJ-OAQYLSRUSA-N 1 0 457.640 4.183 20 0 JIADRO FC(F)COCCCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316520161 1066524724 /nfs/dbraw/zinc/52/47/24/1066524724.db2.gz UYYJOTSVZXBBEC-INIZCTEOSA-N 1 0 484.389 4.054 20 0 JIADRO O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001338089878 1066529757 /nfs/dbraw/zinc/52/97/57/1066529757.db2.gz UNKDHWKQXHTUOP-ROUKRRSUSA-N 1 0 459.421 4.462 20 0 JIADRO Fc1ccc(C[N@@H+]2CCCN(c3nnc(Cc4cccnc4)n3CCSC(F)(F)F)CC2)cc1 ZINC001316523995 1066535036 /nfs/dbraw/zinc/53/50/36/1066535036.db2.gz DKMDQWRNYWKODK-UHFFFAOYSA-N 1 0 494.562 4.368 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001338242718 1066539650 /nfs/dbraw/zinc/53/96/50/1066539650.db2.gz PCGDXAOTUPVDPO-AWEZNQCLSA-N 1 0 454.924 4.495 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC(F)(F)Br ZINC001316525544 1066539746 /nfs/dbraw/zinc/53/97/46/1066539746.db2.gz DVVABUCJPOIOSD-INIZCTEOSA-N 1 0 472.353 4.060 20 0 JIADRO F[C@H]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001316526416 1066541974 /nfs/dbraw/zinc/54/19/74/1066541974.db2.gz JMCQVUDONLBWDS-UXHICEINSA-N 1 0 475.575 4.240 20 0 JIADRO Cc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2F)[NH+]2CCCC2)cc1 ZINC001338449173 1066556862 /nfs/dbraw/zinc/55/68/62/1066556862.db2.gz ZRUPINSHCCETAM-HXUWFJFHSA-N 1 0 455.393 4.153 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)c2)CC1 ZINC001338475156 1066558238 /nfs/dbraw/zinc/55/82/38/1066558238.db2.gz GKJFSQSUYRVYOF-UHFFFAOYSA-N 1 0 482.522 4.173 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)c2)CC1 ZINC001338479056 1066559027 /nfs/dbraw/zinc/55/90/27/1066559027.db2.gz XKWPMZMGMGBBLM-UHFFFAOYSA-N 1 0 472.593 4.400 20 0 JIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)C2)CC1 ZINC001338541806 1066563241 /nfs/dbraw/zinc/56/32/41/1066563241.db2.gz AZRNMKSTURZAMZ-NRFANRHFSA-N 1 0 458.647 4.365 20 0 JIADRO NC(=O)C[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316547187 1066564810 /nfs/dbraw/zinc/56/48/10/1066564810.db2.gz QSCOXCDTWGADND-FQEVSTJZSA-N 1 0 473.065 4.347 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492535047 1066582936 /nfs/dbraw/zinc/58/29/36/1066582936.db2.gz YLYREGMFLOWBJI-QHCPKHFHSA-N 1 0 482.673 4.432 20 0 JIADRO Cc1cccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CC2)c1C ZINC001492535270 1066584401 /nfs/dbraw/zinc/58/44/01/1066584401.db2.gz GJGDZYFZDLEIJV-XMMPIXPASA-N 1 0 454.663 4.193 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001492536073 1066586567 /nfs/dbraw/zinc/58/65/67/1066586567.db2.gz JVYXVBAJPBLKBQ-FGZHOGPDSA-N 1 0 454.663 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492536959 1066592722 /nfs/dbraw/zinc/59/27/22/1066592722.db2.gz MDFMYDCJCLLZHT-GZGNHOFSSA-N 1 0 496.700 4.123 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492538933 1066621401 /nfs/dbraw/zinc/62/14/01/1066621401.db2.gz WYIJDLUREDPDPS-SANMLTNESA-N 1 0 495.697 4.153 20 0 JIADRO CCOc1cc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)ccc1OC(=O)CC ZINC001474661381 1066626572 /nfs/dbraw/zinc/62/65/72/1066626572.db2.gz SZRLBHPOXASUCY-UHFFFAOYSA-N 1 0 457.571 4.132 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)ccc1N1CC[NH+](C)CC1 ZINC001317716497 1066644105 /nfs/dbraw/zinc/64/41/05/1066644105.db2.gz VUBRUTHPBVYHNH-QHCPKHFHSA-N 1 0 470.617 4.391 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1 ZINC001317731294 1066652361 /nfs/dbraw/zinc/65/23/61/1066652361.db2.gz HEVMPJFVJRYAHP-UHFFFAOYSA-N 1 0 477.630 4.452 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001346196070 1066655840 /nfs/dbraw/zinc/65/58/40/1066655840.db2.gz MSFGBVMCEZZQQB-XLIONFOSSA-N 1 0 456.553 4.036 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492542627 1066658644 /nfs/dbraw/zinc/65/86/44/1066658644.db2.gz PPLRORAYTZIKDP-YADHBBJMSA-N 1 0 455.647 4.290 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001346534743 1066660297 /nfs/dbraw/zinc/66/02/97/1066660297.db2.gz WVXPBIGGTAWQDE-UHFFFAOYSA-N 1 0 473.952 4.419 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(C)CCCO2)c1 ZINC001492543374 1066668307 /nfs/dbraw/zinc/66/83/07/1066668307.db2.gz JRAXOZANWIBWJK-AREMUKBSSA-N 1 0 455.647 4.291 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)CC2)cc1 ZINC001317758998 1066671122 /nfs/dbraw/zinc/67/11/22/1066671122.db2.gz XSDHUWGZTYVYPO-UHFFFAOYSA-N 1 0 467.569 4.139 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCc2nccs2)c1 ZINC001492543848 1066675580 /nfs/dbraw/zinc/67/55/80/1066675580.db2.gz ZPZNOSMQRKILDT-UHFFFAOYSA-N 1 0 454.644 4.222 20 0 JIADRO Cc1cc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)ccc1N1CC[NH+](C)CC1 ZINC001317768482 1066677631 /nfs/dbraw/zinc/67/76/31/1066677631.db2.gz CGMVFZKBJJJJED-UHFFFAOYSA-N 1 0 455.562 4.226 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001492544602 1066682530 /nfs/dbraw/zinc/68/25/30/1066682530.db2.gz TVOZAIDCBLHDJC-UHFFFAOYSA-N 1 0 460.420 4.139 20 0 JIADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)C1 ZINC001317814517 1066703747 /nfs/dbraw/zinc/70/37/47/1066703747.db2.gz PVVUHUOOYGIQSF-PMACEKPBSA-N 1 0 455.624 4.201 20 0 JIADRO CN(c1ccc(OCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1)S(=O)(=O)c1cccs1 ZINC001317834674 1066720255 /nfs/dbraw/zinc/72/02/55/1066720255.db2.gz LUSLZGAYFSIJQP-UHFFFAOYSA-N 1 0 485.631 4.187 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)[NH+]1CCCC1 ZINC001317849172 1066730661 /nfs/dbraw/zinc/73/06/61/1066730661.db2.gz PDDROTPOWSTEPG-AHWVRZQESA-N 1 0 473.621 4.454 20 0 JIADRO CCCn1c2ccccc2n(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1=O ZINC001348259169 1066731188 /nfs/dbraw/zinc/73/11/88/1066731188.db2.gz OZQYVWZYQYHXIU-QFIPXVFZSA-N 1 0 454.640 4.254 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2cn3c(Br)cnc3s2)c2cccs2)CC1 ZINC001348257804 1066731333 /nfs/dbraw/zinc/73/13/33/1066731333.db2.gz JGTSKPGOOVIGGB-CYBMUJFWSA-N 1 0 453.431 4.423 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC001348373461 1066740678 /nfs/dbraw/zinc/74/06/78/1066740678.db2.gz WWDKYONNJCNKDO-MUUNZHRXSA-N 1 0 467.613 4.364 20 0 JIADRO COc1ccc(C(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c2ccc(OC)cc2)cc1 ZINC001317865929 1066741114 /nfs/dbraw/zinc/74/11/14/1066741114.db2.gz DTEVBDGWMJGXHP-UHFFFAOYSA-N 1 0 467.610 4.128 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Br)CC1 ZINC001348388959 1066741765 /nfs/dbraw/zinc/74/17/65/1066741765.db2.gz LHGPZTUCHUZYJS-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3Br)cc2)CC1 ZINC001348389512 1066742023 /nfs/dbraw/zinc/74/20/23/1066742023.db2.gz PMHKJRAKGMWWND-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c(I)c1)c1ccccc1 ZINC001348428031 1066743300 /nfs/dbraw/zinc/74/33/00/1066743300.db2.gz KHXRYDLMKWUAFJ-GOSISDBHSA-N 1 0 452.336 4.113 20 0 JIADRO COc1cc(-c2noc(CN3CCC[N@H+](Cc4ccc(C)cc4)CC3)n2)ccc1OC(F)F ZINC001317880234 1066750530 /nfs/dbraw/zinc/75/05/30/1066750530.db2.gz UTTXLSSEHJWQPS-UHFFFAOYSA-N 1 0 458.509 4.363 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001317889901 1066759396 /nfs/dbraw/zinc/75/93/96/1066759396.db2.gz VKMBCYQMDLGMPR-KDURUIRLSA-N 1 0 490.570 4.413 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)CC1 ZINC001317890881 1066760071 /nfs/dbraw/zinc/76/00/71/1066760071.db2.gz IAAKCIAIGJYXFX-UHFFFAOYSA-N 1 0 461.610 4.055 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC001317925234 1066789918 /nfs/dbraw/zinc/78/99/18/1066789918.db2.gz WGLQDSIURGPFAV-RUZDIDTESA-N 1 0 463.622 4.028 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)ccn1 ZINC001348929825 1066790916 /nfs/dbraw/zinc/79/09/16/1066790916.db2.gz SGNAXLHHEDIOQX-UHFFFAOYSA-N 1 0 453.387 4.222 20 0 JIADRO COc1cccc([C@@H](CNC(=O)c2nn(-c3ccccc3F)cc2Br)[NH+]2CCCC2)c1 ZINC001317963106 1066814737 /nfs/dbraw/zinc/81/47/37/1066814737.db2.gz VUVGRQNHDFSWQW-OAQYLSRUSA-N 1 0 487.373 4.349 20 0 JIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001349160720 1066815775 /nfs/dbraw/zinc/81/57/75/1066815775.db2.gz NQHYOQXSYVKKOM-IAGOWNOFSA-N 1 0 457.537 4.289 20 0 JIADRO C[C@H](OC(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001317975404 1066827103 /nfs/dbraw/zinc/82/71/03/1066827103.db2.gz ULVUFMWDXDRUBN-INIZCTEOSA-N 1 0 450.913 4.144 20 0 JIADRO O=C(c1cccs1)C(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)[n+]1cccc([O-])c1 ZINC001317981992 1066830234 /nfs/dbraw/zinc/83/02/34/1066830234.db2.gz AUUUONFVRCLFTN-UHFFFAOYSA-O 1 0 452.625 4.207 20 0 JIADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC001317985733 1066832680 /nfs/dbraw/zinc/83/26/80/1066832680.db2.gz SXHLOSJSRVTGNJ-XMMPIXPASA-N 1 0 462.638 4.083 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC001349382197 1066836498 /nfs/dbraw/zinc/83/64/98/1066836498.db2.gz WOEPXWQXGXXWKO-ACSSMRJVSA-N 1 0 477.630 4.387 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001318039874 1066865729 /nfs/dbraw/zinc/86/57/29/1066865729.db2.gz JKVOVAVVJPAJEK-UHFFFAOYSA-N 1 0 463.326 4.117 20 0 JIADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC001318065736 1066881530 /nfs/dbraw/zinc/88/15/30/1066881530.db2.gz ZSHNSRTYGMPVLI-FQEVSTJZSA-N 1 0 459.384 4.347 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC001349910872 1066895081 /nfs/dbraw/zinc/89/50/81/1066895081.db2.gz NDELYNFQCOLHDM-QHCPKHFHSA-N 1 0 451.640 4.107 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001349910861 1066895125 /nfs/dbraw/zinc/89/51/25/1066895125.db2.gz NDELYNFQCOLHDM-HSZRJFAPSA-N 1 0 451.640 4.107 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)c2cccs2)CC1 ZINC001350073328 1066912711 /nfs/dbraw/zinc/91/27/11/1066912711.db2.gz SYWQLLRNPBQNFS-GOSISDBHSA-N 1 0 456.580 4.089 20 0 JIADRO COc1cccc(N2CCC(NC(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001318170860 1066937387 /nfs/dbraw/zinc/93/73/87/1066937387.db2.gz SKODSDQLLWSEOS-XMMPIXPASA-N 1 0 461.528 4.235 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)C1 ZINC001318173880 1066939610 /nfs/dbraw/zinc/93/96/10/1066939610.db2.gz SOHBKDVHNWYBQQ-SFHVURJKSA-N 1 0 463.578 4.389 20 0 JIADRO CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001350372860 1066949783 /nfs/dbraw/zinc/94/97/83/1066949783.db2.gz BSUDTFAWSFJGRQ-RRPNLBNLSA-N 1 0 455.602 4.277 20 0 JIADRO CC[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@@H+]1CCc2ccccc2C1 ZINC001318192316 1066950306 /nfs/dbraw/zinc/95/03/06/1066950306.db2.gz HWLWWPXSAHLKOX-HSZRJFAPSA-N 1 0 454.578 4.057 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001318197749 1066953090 /nfs/dbraw/zinc/95/30/90/1066953090.db2.gz BNKHPBPQRYDHSY-UHFFFAOYSA-N 1 0 461.400 4.451 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c2cccs2)CC1 ZINC001318196847 1066953242 /nfs/dbraw/zinc/95/32/42/1066953242.db2.gz SWLKZGMMWKTZKJ-YADHBBJMSA-N 1 0 454.640 4.125 20 0 JIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001318200394 1066954829 /nfs/dbraw/zinc/95/48/29/1066954829.db2.gz XQZMEEBZAXMGDM-UHFFFAOYSA-N 1 0 459.363 4.498 20 0 JIADRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC001318250978 1066983992 /nfs/dbraw/zinc/98/39/92/1066983992.db2.gz SSEOEPBCIIAFJP-UHFFFAOYSA-N 1 0 459.638 4.313 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC001318266348 1066991943 /nfs/dbraw/zinc/99/19/43/1066991943.db2.gz LSSDVFIJTALIMK-UHFFFAOYSA-N 1 0 457.625 4.150 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001318311165 1067011735 /nfs/dbraw/zinc/01/17/35/1067011735.db2.gz MTEUNYVEGYYMRE-UHFFFAOYSA-N 1 0 456.587 4.110 20 0 JIADRO Cc1cc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)ccc1N1CC[NH+](C)CC1 ZINC001318316895 1067014325 /nfs/dbraw/zinc/01/43/25/1067014325.db2.gz BHCDRVOGAIPWAG-UHFFFAOYSA-N 1 0 490.427 4.192 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001300683887 1067021985 /nfs/dbraw/zinc/02/19/85/1067021985.db2.gz OYDXRHBJMSKLFF-FQEVSTJZSA-N 1 0 473.687 4.316 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)c1cccc(OC)c1 ZINC001318338855 1067022991 /nfs/dbraw/zinc/02/29/91/1067022991.db2.gz PJFMTYJUYRRZQN-DQEYMECFSA-N 1 0 464.610 4.236 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300684354 1067023404 /nfs/dbraw/zinc/02/34/04/1067023404.db2.gz UDTORUSUESPAIU-PZJWPPBQSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001300684372 1067023763 /nfs/dbraw/zinc/02/37/63/1067023763.db2.gz UJZKKOBMCSEDSU-QFIPXVFZSA-N 1 0 473.687 4.316 20 0 JIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001318346169 1067026167 /nfs/dbraw/zinc/02/61/67/1067026167.db2.gz BWVLNWVDFCOVSC-GDLZYMKVSA-N 1 0 479.584 4.251 20 0 JIADRO CCCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cnn1-c1cc(F)c(OC)cc1F ZINC001350985990 1067027824 /nfs/dbraw/zinc/02/78/24/1067027824.db2.gz SPAKWNCFIZBHCV-NRFANRHFSA-N 1 0 458.509 4.272 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300688048 1067031502 /nfs/dbraw/zinc/03/15/02/1067031502.db2.gz SXGZSKTWJLHJBN-PMAPCBKXSA-N 1 0 493.768 4.347 20 0 JIADRO C[C@@]1(c2cccc(C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)c2)NC(=O)NC1=O ZINC001318372754 1067033735 /nfs/dbraw/zinc/03/37/35/1067033735.db2.gz RNISPVSLSACWAV-VWLOTQADSA-N 1 0 494.389 4.373 20 0 JIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCN1C(=O)COc2ccccc21 ZINC001318373711 1067033803 /nfs/dbraw/zinc/03/38/03/1067033803.db2.gz ZRGVGWIUOFJRML-UHFFFAOYSA-N 1 0 464.875 4.368 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(Br)c3nccn3c2)[NH+]2CCCCC2)cc1 ZINC001354676418 1067036748 /nfs/dbraw/zinc/03/67/48/1067036748.db2.gz HITCZTYGUDYYNY-FQEVSTJZSA-N 1 0 457.372 4.062 20 0 JIADRO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318394492 1067037409 /nfs/dbraw/zinc/03/74/09/1067037409.db2.gz KAGCIWRSHXMZPG-LBPRGKRZSA-N 1 0 463.838 4.187 20 0 JIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001351103243 1067046142 /nfs/dbraw/zinc/04/61/42/1067046142.db2.gz LDVRXLGMRMAYLM-OAHLLOKOSA-N 1 0 451.537 4.335 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)C2)ccn1 ZINC001351119115 1067048713 /nfs/dbraw/zinc/04/87/13/1067048713.db2.gz ZXUXKHZGCCRFNB-HXUWFJFHSA-N 1 0 490.633 4.230 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC001318508817 1067050270 /nfs/dbraw/zinc/05/02/70/1067050270.db2.gz FCKCQZOUOQWBHD-UHFFFAOYSA-N 1 0 463.670 4.204 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001318550679 1067051760 /nfs/dbraw/zinc/05/17/60/1067051760.db2.gz QBGFXJLLNVISCC-UHFFFAOYSA-N 1 0 476.596 4.302 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC1 ZINC001318621738 1067057166 /nfs/dbraw/zinc/05/71/66/1067057166.db2.gz YVZKNDFJYSRKCI-UHFFFAOYSA-N 1 0 464.031 4.112 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC001319053728 1067065467 /nfs/dbraw/zinc/06/54/67/1067065467.db2.gz OZTYZHPPAQGDEO-OALUTQOASA-N 1 0 474.646 4.445 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731400 1067066889 /nfs/dbraw/zinc/06/68/89/1067066889.db2.gz QXGRATMLBXAEAV-UWJYYQICSA-N 1 0 453.384 4.275 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cc(-c2cccnc2)nn1C)c1cccc(Br)c1 ZINC001351314276 1067075229 /nfs/dbraw/zinc/07/52/29/1067075229.db2.gz REXYITLUQPXEPL-UHFFFAOYSA-N 1 0 456.388 4.233 20 0 JIADRO CC(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)[NH+]1CCN(C)CC1 ZINC001200780512 1067092849 /nfs/dbraw/zinc/09/28/49/1067092849.db2.gz DVDVHSAWSJWEHF-INIZCTEOSA-N 1 0 452.974 4.388 20 0 JIADRO COC1CCC(Cn2c(-c3ccccc3C)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001300720050 1067101777 /nfs/dbraw/zinc/10/17/77/1067101777.db2.gz AFAGAUPTQAOLNO-UHFFFAOYSA-N 1 0 455.647 4.006 20 0 JIADRO C[NH+]1CCN(CCOc2ccc(NCc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2)CC1 ZINC001200791251 1067127696 /nfs/dbraw/zinc/12/76/96/1067127696.db2.gz HJPNATNLWXSDDM-UHFFFAOYSA-N 1 0 459.516 4.129 20 0 JIADRO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)ccc1F ZINC001321516008 1067153817 /nfs/dbraw/zinc/15/38/17/1067153817.db2.gz UZCPUYAQMUMTEN-UHFFFAOYSA-N 1 0 496.608 4.247 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 ZINC001321551724 1067162974 /nfs/dbraw/zinc/16/29/74/1067162974.db2.gz UCKBSMVFFJPNPC-UHFFFAOYSA-N 1 0 469.010 4.336 20 0 JIADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cccc(NC(C)=O)c2)[n+]2ccc(C)cc2)s1 ZINC001321578951 1067170212 /nfs/dbraw/zinc/17/02/12/1067170212.db2.gz IGMOJLTWNNRDAA-UHFFFAOYSA-O 1 0 495.650 4.304 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 ZINC001354845024 1067184506 /nfs/dbraw/zinc/18/45/06/1067184506.db2.gz VHKNHDCIXHHKKO-RRPNLBNLSA-N 1 0 470.617 4.349 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001351780059 1067203981 /nfs/dbraw/zinc/20/39/81/1067203981.db2.gz IYOKRBDREYIHBG-MOPGFXCFSA-N 1 0 457.590 4.041 20 0 JIADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@H](O)c1ccccc1F ZINC001200802008 1067205774 /nfs/dbraw/zinc/20/57/74/1067205774.db2.gz DNXKRACXKUZWEK-SJLPKXTDSA-N 1 0 459.299 4.049 20 0 JIADRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@@H]21 ZINC001200802698 1067210548 /nfs/dbraw/zinc/21/05/48/1067210548.db2.gz ZRWXMRBOHZGBMW-ZANVPECISA-N 1 0 451.203 4.074 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492549293 1067211789 /nfs/dbraw/zinc/21/17/89/1067211789.db2.gz WQBMCPAWTBFEBP-YADHBBJMSA-N 1 0 455.647 4.290 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001300739723 1067215225 /nfs/dbraw/zinc/21/52/25/1067215225.db2.gz ZRXUWMQXICXMDE-UHFFFAOYSA-N 1 0 459.610 4.168 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2)CC1 ZINC001321833786 1067216485 /nfs/dbraw/zinc/21/64/85/1067216485.db2.gz DRKZIQURKWTVLK-UHFFFAOYSA-N 1 0 486.389 4.164 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3I)cc2)CC1 ZINC001321858759 1067219677 /nfs/dbraw/zinc/21/96/77/1067219677.db2.gz WZDRAYBZNGXZTB-UHFFFAOYSA-N 1 0 491.373 4.100 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)cc21 ZINC001351865736 1067228495 /nfs/dbraw/zinc/22/84/95/1067228495.db2.gz NZCOSUKMCTTYIC-FOWTUZBSSA-N 1 0 453.848 4.394 20 0 JIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001352019086 1067269939 /nfs/dbraw/zinc/26/99/39/1067269939.db2.gz MKSIEGFJYRNHFT-DNVCBOLYSA-N 1 0 450.366 4.283 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001300757067 1067285681 /nfs/dbraw/zinc/28/56/81/1067285681.db2.gz AUWMLYNBXGDRHX-IBGZPJMESA-N 1 0 462.436 4.197 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300758029 1067289664 /nfs/dbraw/zinc/28/96/64/1067289664.db2.gz PATIFJZGIQDJQE-BBTUJRGHSA-N 1 0 463.573 4.282 20 0 JIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001354936031 1067291327 /nfs/dbraw/zinc/29/13/27/1067291327.db2.gz HCDWGQDMKCDPFH-UHFFFAOYSA-N 1 0 451.434 4.282 20 0 JIADRO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001322503065 1067299530 /nfs/dbraw/zinc/29/95/30/1067299530.db2.gz HHKVUOGTIXAFRQ-UHFFFAOYSA-N 1 0 471.667 4.154 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC001200823348 1067299700 /nfs/dbraw/zinc/29/97/00/1067299700.db2.gz ZPHVREHTRSIBJK-UZLBHIALSA-N 1 0 450.630 4.104 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001300761560 1067301183 /nfs/dbraw/zinc/30/11/83/1067301183.db2.gz QGTAAZMYWOGIHA-IEBWSBKVSA-N 1 0 482.456 4.368 20 0 JIADRO COC(=O)[C@]1(NC(=S)Nc2c(C)cc(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001200825124 1067302739 /nfs/dbraw/zinc/30/27/39/1067302739.db2.gz OBEUARDZTRDJNR-NRFANRHFSA-N 1 0 452.407 4.406 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCNC(=O)c3ccccc3C(F)(F)F)c2)cc1 ZINC001322610138 1067305918 /nfs/dbraw/zinc/30/59/18/1067305918.db2.gz AEZWMIUHWDDABA-UHFFFAOYSA-N 1 0 471.479 4.486 20 0 JIADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001322611863 1067306329 /nfs/dbraw/zinc/30/63/29/1067306329.db2.gz XKTWGEWVPYDKNF-ZDUSSCGKSA-N 1 0 462.226 4.349 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)CC2)cc1 ZINC001322770273 1067308660 /nfs/dbraw/zinc/30/86/60/1067308660.db2.gz UMQFZVFVYBPPFW-JOCHJYFZSA-N 1 0 485.575 4.183 20 0 JIADRO C[C@@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352201835 1067309268 /nfs/dbraw/zinc/30/92/68/1067309268.db2.gz FKZDIDSBIGSPQP-MRXNPFEDSA-N 1 0 453.949 4.179 20 0 JIADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352204835 1067309704 /nfs/dbraw/zinc/30/97/04/1067309704.db2.gz YTYCFCWLLPUYPB-INIZCTEOSA-N 1 0 457.500 4.192 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492579135 1067312457 /nfs/dbraw/zinc/31/24/57/1067312457.db2.gz DNKHOFUCTIWVBU-YIXXDRMTSA-N 1 0 469.674 4.070 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492552621 1067318440 /nfs/dbraw/zinc/31/84/40/1067318440.db2.gz BSKYOHWTGKXVNE-JPYHZWLXSA-N 1 0 499.700 4.181 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492494792 1067319402 /nfs/dbraw/zinc/31/94/02/1067319402.db2.gz IAAQALWYOCLPBR-OAQYLSRUSA-N 1 0 479.648 4.259 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300771763 1067320349 /nfs/dbraw/zinc/32/03/49/1067320349.db2.gz FBLNOLSHCLOBCD-UPVQGACJSA-N 1 0 455.647 4.354 20 0 JIADRO O=S(=O)(c1sccc1Br)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001475041115 1067320438 /nfs/dbraw/zinc/32/04/38/1067320438.db2.gz WRGCRICZTMSYKK-IBGZPJMESA-N 1 0 455.443 4.187 20 0 JIADRO O=S(=O)(c1sccc1Br)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001475041116 1067320601 /nfs/dbraw/zinc/32/06/01/1067320601.db2.gz WRGCRICZTMSYKK-LJQANCHMSA-N 1 0 455.443 4.187 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001300771927 1067320923 /nfs/dbraw/zinc/32/09/23/1067320923.db2.gz FXAFDUIVSRAUTB-NRFANRHFSA-N 1 0 457.663 4.492 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)(c2ccccc2)C1 ZINC001352268138 1067321246 /nfs/dbraw/zinc/32/12/46/1067321246.db2.gz JOLAZEPTGYIBDF-QFQXNSOFSA-N 1 0 453.583 4.112 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001492495157 1067323135 /nfs/dbraw/zinc/32/31/35/1067323135.db2.gz RCLDNBGKZMEKPU-FQEVSTJZSA-N 1 0 496.681 4.124 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300772751 1067323577 /nfs/dbraw/zinc/32/35/77/1067323577.db2.gz MEBGUCMIRUHQLZ-NFBKMPQASA-N 1 0 476.065 4.494 20 0 JIADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001354994234 1067324779 /nfs/dbraw/zinc/32/47/79/1067324779.db2.gz UAWPSEANEWSOKB-SSOJOUAXSA-N 1 0 450.558 4.367 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001492495425 1067324957 /nfs/dbraw/zinc/32/49/57/1067324957.db2.gz XECQXRHOGMGCQW-NLINSNCNSA-N 1 0 466.655 4.069 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001300773134 1067325152 /nfs/dbraw/zinc/32/51/52/1067325152.db2.gz PJEKKOLIIBDVNM-PKTZIBPZSA-N 1 0 455.647 4.211 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)[NH+]2CCCCC2)cc1 ZINC001352316041 1067330111 /nfs/dbraw/zinc/33/01/11/1067330111.db2.gz COZWHSQLOBZTED-QHCPKHFHSA-N 1 0 455.986 4.432 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001300781633 1067336673 /nfs/dbraw/zinc/33/66/73/1067336673.db2.gz AXNAPSKAHNSYKM-NRFANRHFSA-N 1 0 464.658 4.413 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001300781626 1067337022 /nfs/dbraw/zinc/33/70/22/1067337022.db2.gz AUAYNAKNLZNEPY-UHFFFAOYSA-N 1 0 470.568 4.144 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492552825 1067339142 /nfs/dbraw/zinc/33/91/42/1067339142.db2.gz FGDWBJDBOFJROJ-BJESRGMDSA-N 1 0 455.647 4.177 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001300782836 1067340017 /nfs/dbraw/zinc/34/00/17/1067340017.db2.gz QLEYGMNKQROJQS-UHFFFAOYSA-N 1 0 459.038 4.429 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492552954 1067340474 /nfs/dbraw/zinc/34/04/74/1067340474.db2.gz FUUMHOIUZALVDO-FYYLOGMGSA-N 1 0 452.647 4.247 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492498100 1067340643 /nfs/dbraw/zinc/34/06/43/1067340643.db2.gz RVKDDYBFYAJFNU-SFHVURJKSA-N 1 0 453.660 4.467 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300001771 1067340904 /nfs/dbraw/zinc/34/09/04/1067340904.db2.gz XRQUWVRMLUZBBS-MRXNPFEDSA-N 1 0 469.552 4.471 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001492498180 1067341168 /nfs/dbraw/zinc/34/11/68/1067341168.db2.gz UOLIETVPDGJPOQ-LJQANCHMSA-N 1 0 475.641 4.072 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001492553070 1067342503 /nfs/dbraw/zinc/34/25/03/1067342503.db2.gz FOMANPXKYOICDM-NRFANRHFSA-N 1 0 480.701 4.306 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001300783948 1067343232 /nfs/dbraw/zinc/34/32/32/1067343232.db2.gz GIJOSCAUJJNYLS-WIYYLYMNSA-N 1 0 461.676 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001300784405 1067344111 /nfs/dbraw/zinc/34/41/11/1067344111.db2.gz BIXXMDKBCNZGTD-HSZRJFAPSA-N 1 0 473.637 4.083 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001300785204 1067346074 /nfs/dbraw/zinc/34/60/74/1067346074.db2.gz IUMFYLLRHFEMNP-UNMCSNQZSA-N 1 0 454.663 4.168 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001300785707 1067347331 /nfs/dbraw/zinc/34/73/31/1067347331.db2.gz QULGHRUMDPTSBT-MOPGFXCFSA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001300785779 1067347781 /nfs/dbraw/zinc/34/77/81/1067347781.db2.gz NNTWKHZOGIZGKI-UHFFFAOYSA-N 1 0 475.653 4.410 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCC[NH+]2CCCC2)c(OC)c1 ZINC001300003626 1067347829 /nfs/dbraw/zinc/34/78/29/1067347829.db2.gz XJCLEXFHBGBYBW-UHFFFAOYSA-N 1 0 471.005 4.133 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)OC)CC1 ZINC001300786298 1067348585 /nfs/dbraw/zinc/34/85/85/1067348585.db2.gz LQDCJMQMWSJUOY-UHFFFAOYSA-N 1 0 472.417 4.051 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001300786543 1067349353 /nfs/dbraw/zinc/34/93/53/1067349353.db2.gz QSULUCSFBYHGNG-XMMPIXPASA-N 1 0 487.664 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001300786725 1067349663 /nfs/dbraw/zinc/34/96/63/1067349663.db2.gz OWUNBXRVMPMKHO-SZPZYZBQSA-N 1 0 469.674 4.456 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+](C)C(C)C)cc1 ZINC001300006825 1067356072 /nfs/dbraw/zinc/35/60/72/1067356072.db2.gz SCAGGAWDUUVJLI-UHFFFAOYSA-N 1 0 468.549 4.406 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300006906 1067356537 /nfs/dbraw/zinc/35/65/37/1067356537.db2.gz VLDVEBAWVCVGMF-OALUTQOASA-N 1 0 486.064 4.345 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2([NH+](C)C)CCSC2)CC1(C)C ZINC001300793708 1067366079 /nfs/dbraw/zinc/36/60/79/1067366079.db2.gz ANXZHSKQXAKMPE-RQNQAMLKSA-N 1 0 487.714 4.333 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCc3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300012241 1067366711 /nfs/dbraw/zinc/36/67/11/1067366711.db2.gz UVFITPCNNARAGH-LJQANCHMSA-N 1 0 469.655 4.435 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300012496 1067366985 /nfs/dbraw/zinc/36/69/85/1067366985.db2.gz ZKFHTLMTNPUNDF-BGYRXZFFSA-N 1 0 473.662 4.332 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)ccc1OC ZINC001352383757 1067367051 /nfs/dbraw/zinc/36/70/51/1067367051.db2.gz VQNCRVZTVRMKII-INIZCTEOSA-N 1 0 454.493 4.147 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492554846 1067372576 /nfs/dbraw/zinc/37/25/76/1067372576.db2.gz XNLQNQNVFFKQQT-YADHBBJMSA-N 1 0 450.631 4.290 20 0 JIADRO COc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001300016838 1067376948 /nfs/dbraw/zinc/37/69/48/1067376948.db2.gz IPMGHRSJYMUTPR-XMMPIXPASA-N 1 0 461.676 4.270 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001492580949 1067378583 /nfs/dbraw/zinc/37/85/83/1067378583.db2.gz RSUJYZPPQFBOPF-UHFFFAOYSA-N 1 0 494.728 4.383 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001300021762 1067386067 /nfs/dbraw/zinc/38/60/67/1067386067.db2.gz JSQFBWKZVWLZJP-ZRCGQRJVSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300021821 1067386560 /nfs/dbraw/zinc/38/65/60/1067386560.db2.gz KVCFBPZKQLXOML-REWPJTCUSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300023001 1067390917 /nfs/dbraw/zinc/39/09/17/1067390917.db2.gz AYQKGTJEZTUJOM-NJYVYQBISA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300024934 1067394844 /nfs/dbraw/zinc/39/48/44/1067394844.db2.gz QEBLAIOKZQJPLU-HSZRJFAPSA-N 1 0 455.647 4.470 20 0 JIADRO C[C@H](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)[N@H+](C)Cc1ccccc1 ZINC001355309562 1067412026 /nfs/dbraw/zinc/41/20/26/1067412026.db2.gz HQMVTJBDPMAKFT-GOSISDBHSA-N 1 0 455.400 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300030679 1067419851 /nfs/dbraw/zinc/41/98/51/1067419851.db2.gz LUICSFQCCWSFNP-UHFFFAOYSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300032705 1067428752 /nfs/dbraw/zinc/42/87/52/1067428752.db2.gz IJWBRXACSACGNP-MRXNPFEDSA-N 1 0 490.446 4.324 20 0 JIADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000501080269 1067448524 /nfs/dbraw/zinc/44/85/24/1067448524.db2.gz SXTFLYIJWRCJFY-GOSISDBHSA-N 1 0 455.653 4.344 20 0 JIADRO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001355403361 1067449873 /nfs/dbraw/zinc/44/98/73/1067449873.db2.gz RRMTWRCTVZBHFS-BJKOFHAPSA-N 1 0 480.653 4.307 20 0 JIADRO COc1ccc(Br)cc1-c1nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cs1 ZINC001352525756 1067481057 /nfs/dbraw/zinc/48/10/57/1067481057.db2.gz UDVRCSJTKUMOHX-UHFFFAOYSA-N 1 0 456.325 4.414 20 0 JIADRO C[NH+]1CCC(OCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC001355481417 1067483741 /nfs/dbraw/zinc/48/37/41/1067483741.db2.gz ZSKGNWADFJSKII-UHFFFAOYSA-N 1 0 450.461 4.399 20 0 JIADRO CCCCCNC(=S)Nc1cc(OC)c(C(=O)NCC[NH+](CC)CC)cc1Br ZINC001200061339 1067484583 /nfs/dbraw/zinc/48/45/83/1067484583.db2.gz ZGEYFDVTEVZFDE-UHFFFAOYSA-N 1 0 473.481 4.006 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCSC(F)(F)F)cc1 ZINC001300044905 1067490665 /nfs/dbraw/zinc/49/06/65/1067490665.db2.gz XKZIPTKSRSFWNH-KRWDZBQOSA-N 1 0 455.550 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300044946 1067491046 /nfs/dbraw/zinc/49/10/46/1067491046.db2.gz YXSVHXWIKKPFRK-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)c(OC)c1 ZINC001300045570 1067493818 /nfs/dbraw/zinc/49/38/18/1067493818.db2.gz KSIJHXJYNURBDQ-GOSISDBHSA-N 1 0 471.646 4.229 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300045845 1067495921 /nfs/dbraw/zinc/49/59/21/1067495921.db2.gz SKWNLOGHAFGTQT-FQEVSTJZSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H]4CCC[C@H]43)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300047767 1067501216 /nfs/dbraw/zinc/50/12/16/1067501216.db2.gz JXWWJYJMIZPKSU-VQIMIIECSA-N 1 0 462.436 4.435 20 0 JIADRO O=C(CNC(=O)c1c(F)cccc1Cl)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001300050209 1067508282 /nfs/dbraw/zinc/50/82/82/1067508282.db2.gz ROMUEZAJCRFJLK-UHFFFAOYSA-N 1 0 457.977 4.114 20 0 JIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)n2)cc1 ZINC001355566589 1067512861 /nfs/dbraw/zinc/51/28/61/1067512861.db2.gz FYWMSUKRVZQFRF-UHFFFAOYSA-N 1 0 454.615 4.192 20 0 JIADRO C[NH+]1CCN(C[C@H](NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001352553465 1067517432 /nfs/dbraw/zinc/51/74/32/1067517432.db2.gz IJJGAMKLZYZMBB-MEPUESOJSA-N 1 0 451.920 4.391 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300051839 1067519629 /nfs/dbraw/zinc/51/96/29/1067519629.db2.gz QSQZENQPJQXDMS-SQJMNOBHSA-N 1 0 453.587 4.245 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492582169 1067521989 /nfs/dbraw/zinc/52/19/89/1067521989.db2.gz YXLUYTXHJHKSRS-LOSJGSFVSA-N 1 0 453.675 4.407 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300052499 1067523674 /nfs/dbraw/zinc/52/36/74/1067523674.db2.gz YKVFKTMJMKZFMJ-RUZDIDTESA-N 1 0 459.635 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300053201 1067526315 /nfs/dbraw/zinc/52/63/15/1067526315.db2.gz HUCFRGHWOZAFNF-FQEVSTJZSA-N 1 0 481.645 4.432 20 0 JIADRO CCN(CC)Cc1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC001300053656 1067528380 /nfs/dbraw/zinc/52/83/80/1067528380.db2.gz ROQBSQRLSVOAAS-WOJBJXKFSA-N 1 0 455.653 4.296 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001355621912 1067531659 /nfs/dbraw/zinc/53/16/59/1067531659.db2.gz ODOSPUSGFBJSLQ-ZEQKJWHPSA-N 1 0 469.073 4.127 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300054561 1067532622 /nfs/dbraw/zinc/53/26/22/1067532622.db2.gz YBPBSTROTGTLAQ-FGZHOGPDSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300057429 1067546651 /nfs/dbraw/zinc/54/66/51/1067546651.db2.gz UMVSOPSSSNUILO-UNMCSNQZSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300058638 1067550583 /nfs/dbraw/zinc/55/05/83/1067550583.db2.gz FOJNKMNAVVHZGB-ZRCGQRJVSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300059904 1067556718 /nfs/dbraw/zinc/55/67/18/1067556718.db2.gz LSSSKWZHPHRLPX-WOJBJXKFSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300060242 1067557842 /nfs/dbraw/zinc/55/78/42/1067557842.db2.gz UPWMHGIWOICXHW-FQEVSTJZSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001200080706 1067559028 /nfs/dbraw/zinc/55/90/28/1067559028.db2.gz ZOGKEWSNZUBQNH-AREMUKBSSA-N 1 0 453.652 4.109 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC2CCOCC2)cc1OC ZINC001300061172 1067562287 /nfs/dbraw/zinc/56/22/87/1067562287.db2.gz AOFJQEPQKPGQEA-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(C)c1 ZINC001355739320 1067568792 /nfs/dbraw/zinc/56/87/92/1067568792.db2.gz HSSUVZHVJLRASO-IZZNHLLZSA-N 1 0 470.617 4.320 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001355771204 1067578041 /nfs/dbraw/zinc/57/80/41/1067578041.db2.gz LFUPPTODFSGNEA-ZEQKJWHPSA-N 1 0 465.613 4.341 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300066110 1067579777 /nfs/dbraw/zinc/57/97/77/1067579777.db2.gz YCWALFQBQQTIOY-NRFANRHFSA-N 1 0 496.681 4.013 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001300066440 1067580208 /nfs/dbraw/zinc/58/02/08/1067580208.db2.gz BCUOMFXUUZERKQ-REWPJTCUSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1OC ZINC001300067084 1067582401 /nfs/dbraw/zinc/58/24/01/1067582401.db2.gz KMBRGTLZFAAZRT-XUZZJYLKSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC=CO2)cc1Br ZINC001300067255 1067582858 /nfs/dbraw/zinc/58/28/58/1067582858.db2.gz MZGNTPQLBBCXFQ-SFHVURJKSA-N 1 0 490.446 4.329 20 0 JIADRO COc1cc(OC)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c(OC)c1 ZINC001355806274 1067583884 /nfs/dbraw/zinc/58/38/84/1067583884.db2.gz LIOZZZALPMDUQU-BJKOFHAPSA-N 1 0 452.595 4.267 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2cccs2)c(OC)c1 ZINC001300067947 1067584419 /nfs/dbraw/zinc/58/44/19/1067584419.db2.gz VVGBMDMMLHXVSJ-UHFFFAOYSA-N 1 0 455.628 4.187 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[C@H]2CCCCO2)cc1Br ZINC001300069215 1067588682 /nfs/dbraw/zinc/58/86/82/1067588682.db2.gz ZEQKUOLVLXRHTL-LJQANCHMSA-N 1 0 492.462 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300076459 1067603293 /nfs/dbraw/zinc/60/32/93/1067603293.db2.gz GLVWSQXHHFEPCL-UPVQGACJSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCn2ccnc2C)cc1OC ZINC001300076424 1067603308 /nfs/dbraw/zinc/60/33/08/1067603308.db2.gz OYKDNBGGJZWACY-UHFFFAOYSA-N 1 0 495.672 4.116 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076420 1067603436 /nfs/dbraw/zinc/60/34/36/1067603436.db2.gz OSPJMASFWIEOKW-GMAHTHKFSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2=CCCCC2)c(OC)c1 ZINC001300076988 1067605525 /nfs/dbraw/zinc/60/55/25/1067605525.db2.gz VCFNPDSTQFTSFG-UHFFFAOYSA-N 1 0 469.630 4.010 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)cc1 ZINC001300077390 1067607283 /nfs/dbraw/zinc/60/72/83/1067607283.db2.gz QEFVPRCXLLTPOS-HSZRJFAPSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300077980 1067610443 /nfs/dbraw/zinc/61/04/43/1067610443.db2.gz DOKJZPIWYIZOCY-XLIONFOSSA-N 1 0 481.563 4.232 20 0 JIADRO CSCc1cccc(NC(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001200098806 1067612189 /nfs/dbraw/zinc/61/21/89/1067612189.db2.gz LRHQCHSUWRHKDD-UHFFFAOYSA-N 1 0 450.649 4.394 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300078484 1067612235 /nfs/dbraw/zinc/61/22/35/1067612235.db2.gz IPXFOAMCZVPRAO-AREMUKBSSA-N 1 0 473.662 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001300078676 1067612790 /nfs/dbraw/zinc/61/27/90/1067612790.db2.gz KHDVOCZBGGXSAC-AFMDSPMNSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c(OC)c1 ZINC001300079779 1067615516 /nfs/dbraw/zinc/61/55/16/1067615516.db2.gz RCZVUKIMMSKGID-VWLOTQADSA-N 1 0 471.646 4.088 20 0 JIADRO CCOC(=O)Cn1ccc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)ccc21 ZINC001200113395 1067656711 /nfs/dbraw/zinc/65/67/11/1067656711.db2.gz OGVPORJWLZDJHJ-UHFFFAOYSA-N 1 0 458.509 4.078 20 0 JIADRO CC(=O)c1ccc(Br)cc1OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001473005713 1067658029 /nfs/dbraw/zinc/65/80/29/1067658029.db2.gz REEXPLJOCMSFFO-UHFFFAOYSA-N 1 0 459.384 4.120 20 0 JIADRO COc1ccc(C2CCN(c3nnc(C(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300097131 1067663236 /nfs/dbraw/zinc/66/32/36/1067663236.db2.gz RVVFGZIUPJSNLE-UHFFFAOYSA-N 1 0 469.674 4.204 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300099061 1067668837 /nfs/dbraw/zinc/66/88/37/1067668837.db2.gz AYGOTJCYMAWBOU-FGZHOGPDSA-N 1 0 464.658 4.339 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccnc3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300099139 1067669645 /nfs/dbraw/zinc/66/96/45/1067669645.db2.gz CEUWUCRBDVTRNH-QFIPXVFZSA-N 1 0 462.642 4.396 20 0 JIADRO COC(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC(F)F)c1 ZINC001200121056 1067678781 /nfs/dbraw/zinc/67/87/81/1067678781.db2.gz GFFAABHBLCEKTA-MOPGFXCFSA-N 1 0 459.493 4.060 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300104910 1067688633 /nfs/dbraw/zinc/68/86/33/1067688633.db2.gz KJDPCFJIUCPIKG-HSZRJFAPSA-N 1 0 482.717 4.284 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4ccccc4CC)nn3)cc2Cl)CC1 ZINC001356209222 1067691664 /nfs/dbraw/zinc/69/16/64/1067691664.db2.gz YFMMGTNHSXCTPW-UHFFFAOYSA-N 1 0 452.990 4.267 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)cc2Cl)CC1 ZINC001356206782 1067691839 /nfs/dbraw/zinc/69/18/39/1067691839.db2.gz GSJAFTIKRKVDAZ-UHFFFAOYSA-N 1 0 455.002 4.378 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001300107886 1067701869 /nfs/dbraw/zinc/70/18/69/1067701869.db2.gz XJZYWJGZLSCACV-RBBKRZOGSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001300108124 1067703073 /nfs/dbraw/zinc/70/30/73/1067703073.db2.gz MECBOUBIZKNOPF-ISKFKSNPSA-N 1 0 483.701 4.303 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300113194 1067717638 /nfs/dbraw/zinc/71/76/38/1067717638.db2.gz CGHZJCKCOKYXDB-BJKOFHAPSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300113856 1067720100 /nfs/dbraw/zinc/72/01/00/1067720100.db2.gz ICZLUNJISIWCSO-ZCYQVOJMSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300115078 1067723670 /nfs/dbraw/zinc/72/36/70/1067723670.db2.gz YRPDXWUEAGEJOT-MYGLTJDJSA-N 1 0 469.674 4.052 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001300119558 1067734065 /nfs/dbraw/zinc/73/40/65/1067734065.db2.gz HYGBMNWRVMAFIW-QGZVFWFLSA-N 1 0 474.447 4.044 20 0 JIADRO O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001356378099 1067739760 /nfs/dbraw/zinc/73/97/60/1067739760.db2.gz NYUKMRXXPFKIQL-UHFFFAOYSA-N 1 0 455.368 4.500 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001300123334 1067744030 /nfs/dbraw/zinc/74/40/30/1067744030.db2.gz RRJZURHJQSHJHJ-KNQAVFIVSA-N 1 0 495.590 4.104 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)[NH+]2CCCC2)cc1 ZINC001200145922 1067751843 /nfs/dbraw/zinc/75/18/43/1067751843.db2.gz UXCXLDAUFVSEDP-FQEVSTJZSA-N 1 0 455.559 4.235 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300126317 1067753397 /nfs/dbraw/zinc/75/33/97/1067753397.db2.gz LPVYVMQRDHDTFE-DNVJHFABSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300126977 1067756698 /nfs/dbraw/zinc/75/66/98/1067756698.db2.gz XXXAFKDFJJMWSJ-XMMPIXPASA-N 1 0 469.674 4.198 20 0 JIADRO CO[C@@H]1CCN(C(=S)Nc2ccc(C)cc2Br)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001200146935 1067757359 /nfs/dbraw/zinc/75/73/59/1067757359.db2.gz YCUQSTLSRRVLHK-IOMROCGXSA-N 1 0 475.456 4.071 20 0 JIADRO O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Br ZINC001300129790 1067764790 /nfs/dbraw/zinc/76/47/90/1067764790.db2.gz PLIRVTSPDSFBHM-NHCUHLMSSA-N 1 0 456.384 4.448 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502148 1067765115 /nfs/dbraw/zinc/76/51/15/1067765115.db2.gz NJDZDKMSSBABBF-BAGYTPMASA-N 1 0 451.636 4.178 20 0 JIADRO C[C@H]1C[C@@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503061 1067766045 /nfs/dbraw/zinc/76/60/45/1067766045.db2.gz RJCIIIGOSFQNKF-FUHWJXTLSA-N 1 0 454.514 4.011 20 0 JIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001352857865 1067767987 /nfs/dbraw/zinc/76/79/87/1067767987.db2.gz DHMOHPNCKGBRTB-UHFFFAOYSA-N 1 0 458.940 4.497 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300132746 1067771079 /nfs/dbraw/zinc/77/10/79/1067771079.db2.gz DRMDYSKUCPDGKE-UPVQGACJSA-N 1 0 469.674 4.370 20 0 JIADRO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001352860524 1067771569 /nfs/dbraw/zinc/77/15/69/1067771569.db2.gz DPQHDJNDCGKZHD-GOSISDBHSA-N 1 0 452.426 4.209 20 0 JIADRO COc1ccc([C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000849055900 1067786485 /nfs/dbraw/zinc/78/64/85/1067786485.db2.gz KRBMGWVCDMZFLL-VFNWGFHPSA-N 1 0 451.398 4.250 20 0 JIADRO COC(=O)c1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(C)cc3Br)CC2)cc1 ZINC001200160779 1067789533 /nfs/dbraw/zinc/78/95/33/1067789533.db2.gz MDWVESYOEJMAKZ-UHFFFAOYSA-N 1 0 476.440 4.495 20 0 JIADRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CC1 ZINC000849068900 1067795803 /nfs/dbraw/zinc/79/58/03/1067795803.db2.gz WPCPLHNNFZFSQM-OAQYLSRUSA-N 1 0 475.634 4.111 20 0 JIADRO CC(C)(C)OC(=O)N(CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1cccnc1 ZINC000849071742 1067796268 /nfs/dbraw/zinc/79/62/68/1067796268.db2.gz DTXIHXOOFOXUBF-UHFFFAOYSA-N 1 0 455.559 4.007 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c2ccc(Br)cc2n1 ZINC001357140111 1067809462 /nfs/dbraw/zinc/80/94/62/1067809462.db2.gz HCKQVZIXSTXXCY-QGZVFWFLSA-N 1 0 454.372 4.093 20 0 JIADRO CCOC(=O)N1[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@@H]1c1ccc(C)o1 ZINC001352940702 1067811956 /nfs/dbraw/zinc/81/19/56/1067811956.db2.gz LUSDCOSFUFAVLZ-FGZHOGPDSA-N 1 0 454.571 4.031 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(C)c(OCC(=O)OC)c(C)c3)ccc21 ZINC001357187477 1067816039 /nfs/dbraw/zinc/81/60/39/1067816039.db2.gz BQCOHYHWPHVGPX-UHFFFAOYSA-N 1 0 451.567 4.404 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1F ZINC001300161746 1067816520 /nfs/dbraw/zinc/81/65/20/1067816520.db2.gz ASNUGVBWNRDIOG-QFIPXVFZSA-N 1 0 452.578 4.245 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CC2)[NH+](C)C)cc1F ZINC001300162935 1067819005 /nfs/dbraw/zinc/81/90/05/1067819005.db2.gz VJXYOUAKPBVMHY-IBGZPJMESA-N 1 0 458.969 4.118 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300164545 1067822021 /nfs/dbraw/zinc/82/20/21/1067822021.db2.gz TXVOJJMXLCXIPC-YIXXDRMTSA-N 1 0 485.673 4.084 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492585377 1067827446 /nfs/dbraw/zinc/82/74/46/1067827446.db2.gz FJRTUQMKCBPTFT-DEOSSOPVSA-N 1 0 493.675 4.404 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC001357285494 1067830627 /nfs/dbraw/zinc/83/06/27/1067830627.db2.gz PRVMVIKUBJWSHQ-UHFFFAOYSA-N 1 0 453.608 4.226 20 0 JIADRO COc1ccc(NC(=S)Nc2c(C)cccc2Cl)cc1OCCCN1CC[NH+](C)CC1 ZINC001200198764 1067833112 /nfs/dbraw/zinc/83/31/12/1067833112.db2.gz CEXBKONWMWBGNF-UHFFFAOYSA-N 1 0 463.047 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176468 1067836490 /nfs/dbraw/zinc/83/64/90/1067836490.db2.gz UQZKOVFTKABGCP-NHCUHLMSSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300176804 1067837474 /nfs/dbraw/zinc/83/74/74/1067837474.db2.gz GFYKLPZGAPWQPB-FQEVSTJZSA-N 1 0 469.655 4.076 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300177293 1067838119 /nfs/dbraw/zinc/83/81/19/1067838119.db2.gz MOPFAWRNEGOUNF-UHFFFAOYSA-N 1 0 469.655 4.316 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)cc1C ZINC001300179346 1067841388 /nfs/dbraw/zinc/84/13/88/1067841388.db2.gz QBROXTFKYWYMBO-QFIPXVFZSA-N 1 0 498.672 4.399 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001300180390 1067843181 /nfs/dbraw/zinc/84/31/81/1067843181.db2.gz NRDQUMWTAKEZNM-NHCUHLMSSA-N 1 0 493.700 4.461 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC001300182777 1067845148 /nfs/dbraw/zinc/84/51/48/1067845148.db2.gz XNSFVUSDAGUHDJ-HRFSGMKKSA-N 1 0 487.689 4.102 20 0 JIADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434235 1067849544 /nfs/dbraw/zinc/84/95/44/1067849544.db2.gz FZVWPGUNKVTOKE-CTNGQTDRSA-N 1 0 459.384 4.082 20 0 JIADRO C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)Oc1ccc(Br)cc1 ZINC001200221856 1067863611 /nfs/dbraw/zinc/86/36/11/1067863611.db2.gz DYQUBLYTTWGXTI-MRXNPFEDSA-N 1 0 450.377 4.369 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001357525269 1067864987 /nfs/dbraw/zinc/86/49/87/1067864987.db2.gz NLBSWQOOTVKLBW-UHFFFAOYSA-N 1 0 457.347 4.168 20 0 JIADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001473291572 1067875047 /nfs/dbraw/zinc/87/50/47/1067875047.db2.gz HFEGGURAXWCBCU-DYXWJJEUSA-N 1 0 456.327 4.055 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001300206942 1067878616 /nfs/dbraw/zinc/87/86/16/1067878616.db2.gz UYGXHHALTMJZHR-KCWPFWIISA-N 1 0 451.611 4.293 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200234997 1067879079 /nfs/dbraw/zinc/87/90/79/1067879079.db2.gz DTJOCFDMOSQIQX-QUCCMNQESA-N 1 0 462.457 4.235 20 0 JIADRO CC(C)(C)c1ccc(C(F)(F)C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001357634513 1067880024 /nfs/dbraw/zinc/88/00/24/1067880024.db2.gz YXIIXOXCUPOMLX-UHFFFAOYSA-N 1 0 457.565 4.454 20 0 JIADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2C)s1 ZINC001353146028 1067881068 /nfs/dbraw/zinc/88/10/68/1067881068.db2.gz BWMVUKIYCHVJPR-GOSISDBHSA-N 1 0 454.621 4.277 20 0 JIADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)ccc1Cl ZINC001300212932 1067883149 /nfs/dbraw/zinc/88/31/49/1067883149.db2.gz JYEZAFAYZMYHKT-UHFFFAOYSA-N 1 0 458.971 4.230 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1 ZINC001353199308 1067897701 /nfs/dbraw/zinc/89/77/01/1067897701.db2.gz OXUJOPDFRQLBDD-WDZFZDKYSA-N 1 0 455.356 4.227 20 0 JIADRO Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CC2)cc1F ZINC001357781375 1067899199 /nfs/dbraw/zinc/89/91/99/1067899199.db2.gz ZQVTVWWNVZQYTM-UHFFFAOYSA-N 1 0 459.565 4.364 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)cc1OC ZINC001300230641 1067908434 /nfs/dbraw/zinc/90/84/34/1067908434.db2.gz DZTVCYMLMUQNGC-ZJSXRUAMSA-N 1 0 485.673 4.040 20 0 JIADRO C[C@@H]1CN(Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@@H](C)O1 ZINC001357822157 1067912635 /nfs/dbraw/zinc/91/26/35/1067912635.db2.gz VKASDPXKGCNSDK-FGZHOGPDSA-N 1 0 450.627 4.070 20 0 JIADRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1-c1ccc(Cl)cc1 ZINC001357837982 1067918266 /nfs/dbraw/zinc/91/82/66/1067918266.db2.gz KIAOZRIHWNOKQF-UHFFFAOYSA-N 1 0 452.986 4.281 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300236293 1067928783 /nfs/dbraw/zinc/92/87/83/1067928783.db2.gz PKAJMYSADWQQJZ-OAQYLSRUSA-N 1 0 491.080 4.225 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+](C)C(C)C ZINC001300237054 1067930936 /nfs/dbraw/zinc/93/09/36/1067930936.db2.gz CLQDEDKOGIJTLB-GOSISDBHSA-N 1 0 450.027 4.201 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300237952 1067935915 /nfs/dbraw/zinc/93/59/15/1067935915.db2.gz VDAVPGLBOZFQAL-NQIIRXRSSA-N 1 0 464.054 4.447 20 0 JIADRO C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@H](C)O1 ZINC001357903789 1067936158 /nfs/dbraw/zinc/93/61/58/1067936158.db2.gz ACGAHPHUKRBFMW-OYRHEFFESA-N 1 0 450.627 4.079 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CC=CCC1 ZINC001300238592 1067941214 /nfs/dbraw/zinc/94/12/14/1067941214.db2.gz PEOBBVKNTWEBGT-UHFFFAOYSA-N 1 0 458.031 4.491 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300238870 1067942968 /nfs/dbraw/zinc/94/29/68/1067942968.db2.gz XQSQTBWUXGOTMU-NRFANRHFSA-N 1 0 481.000 4.458 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(Br)ccc2OC)ccc1OC ZINC001357928620 1067945977 /nfs/dbraw/zinc/94/59/77/1067945977.db2.gz BSFCKNAMCGZMCK-UHFFFAOYSA-N 1 0 451.361 4.439 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492560616 1067955819 /nfs/dbraw/zinc/95/58/19/1067955819.db2.gz ZRMYPWWYXHNMHH-RBBKRZOGSA-N 1 0 466.674 4.117 20 0 JIADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960231 1067960430 /nfs/dbraw/zinc/96/04/30/1067960430.db2.gz SWGOSYUKMJGJIQ-IFMALSPDSA-N 1 0 455.549 4.221 20 0 JIADRO COc1ccc(F)cc1Cn1c(N2CC[NH+](CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001300245339 1067968004 /nfs/dbraw/zinc/96/80/04/1067968004.db2.gz KVWYSGYLBNOQGK-UHFFFAOYSA-N 1 0 457.619 4.198 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300245766 1067970743 /nfs/dbraw/zinc/97/07/43/1067970743.db2.gz ZUMPBCHHVLRNGJ-OAQYLSRUSA-N 1 0 486.680 4.310 20 0 JIADRO COc1cc2ccc(C(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2cc1OC ZINC001358028661 1067990453 /nfs/dbraw/zinc/99/04/53/1067990453.db2.gz LCXUTTXJAMDKOF-KRWDZBQOSA-N 1 0 451.542 4.239 20 0 JIADRO Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039240 1068000402 /nfs/dbraw/zinc/00/04/02/1068000402.db2.gz LKEIIJNWIUKOJD-UUOWRZLLSA-N 1 0 455.965 4.028 20 0 JIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039332 1068000473 /nfs/dbraw/zinc/00/04/73/1068000473.db2.gz LWZDVRUBAQORLA-OBVPDXSSSA-N 1 0 451.876 4.060 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492561569 1068002941 /nfs/dbraw/zinc/00/29/41/1068002941.db2.gz JMEYHVOIMFCHIG-GIWBLDEGSA-N 1 0 482.673 4.476 20 0 JIADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cccc(SC(F)(F)F)c3)cc2)CC1 ZINC001358072571 1068009573 /nfs/dbraw/zinc/00/95/73/1068009573.db2.gz NPUHMWYTDWUBFP-UHFFFAOYSA-N 1 0 451.514 4.291 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC001358077617 1068012436 /nfs/dbraw/zinc/01/24/36/1068012436.db2.gz OJIVVHCHPDOMGR-IBGZPJMESA-N 1 0 457.565 4.032 20 0 JIADRO COc1ccc(OC)c(CCCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001300255303 1068013605 /nfs/dbraw/zinc/01/36/05/1068013605.db2.gz ZESQJNJMSNLVEB-UHFFFAOYSA-N 1 0 478.641 4.077 20 0 JIADRO COc1ccc(OC)c(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300258444 1068019507 /nfs/dbraw/zinc/01/95/07/1068019507.db2.gz DUZYPPLJTFBEEA-UHFFFAOYSA-N 1 0 464.614 4.025 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)c2C1 ZINC001358122137 1068023829 /nfs/dbraw/zinc/02/38/29/1068023829.db2.gz QBZFXKQNZXFHTD-WXTAPIANSA-N 1 0 454.615 4.124 20 0 JIADRO Cc1cc([C@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001353320900 1068025324 /nfs/dbraw/zinc/02/53/24/1068025324.db2.gz PQEYWCMKAMBPHG-ROUUACIJSA-N 1 0 455.043 4.482 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(-c3ccc(C)o3)n1CC[NH+](C(C)C)C(C)C)C[C@H]2O ZINC001300261410 1068025858 /nfs/dbraw/zinc/02/58/58/1068025858.db2.gz PZEQLTBYHFDCDN-HXUWFJFHSA-N 1 0 483.613 4.036 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCC(C)CC1)C[C@H]2O ZINC001300262370 1068027805 /nfs/dbraw/zinc/02/78/05/1068027805.db2.gz XLMOVUOSURMPIB-PZJWPPBQSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263462 1068029523 /nfs/dbraw/zinc/02/95/23/1068029523.db2.gz FBQYGGMGUOUTOR-NRFANRHFSA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300263943 1068031529 /nfs/dbraw/zinc/03/15/29/1068031529.db2.gz CAJHHKCEXMFQSY-HBMCJLEFSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300266265 1068037311 /nfs/dbraw/zinc/03/73/11/1068037311.db2.gz DMQMQPDDEPQDLL-BHIFYINESA-N 1 0 485.673 4.095 20 0 JIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001358188113 1068040034 /nfs/dbraw/zinc/04/00/34/1068040034.db2.gz OUOKJFVJKNFFPE-NZQKXSOJSA-N 1 0 458.444 4.123 20 0 JIADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(F)c2Sc2ccccc2)c1 ZINC001358196080 1068041794 /nfs/dbraw/zinc/04/17/94/1068041794.db2.gz ILUYWAGJORUPGN-UHFFFAOYSA-N 1 0 451.567 4.198 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300269213 1068044965 /nfs/dbraw/zinc/04/49/65/1068044965.db2.gz JFCYCJXVASTARF-GHTZIAJQSA-N 1 0 499.578 4.141 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300269841 1068047144 /nfs/dbraw/zinc/04/71/44/1068047144.db2.gz AEKWPVAUQITXFP-JOCHJYFZSA-N 1 0 455.647 4.470 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC001358292695 1068061989 /nfs/dbraw/zinc/06/19/89/1068061989.db2.gz OVWDHNYKEXHNTH-UHFFFAOYSA-N 1 0 459.059 4.434 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=S)NCc2ccc(C)cc2)cc1OC ZINC001200318985 1068064135 /nfs/dbraw/zinc/06/41/35/1068064135.db2.gz GQHBAWVXVZKSPF-UHFFFAOYSA-N 1 0 463.047 4.215 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2nn(-c3c(F)cccc3F)cc2C)ccc1OC ZINC001358314658 1068065053 /nfs/dbraw/zinc/06/50/53/1068065053.db2.gz RTXZAFRBUVTZAU-UHFFFAOYSA-N 1 0 458.509 4.440 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300278547 1068065420 /nfs/dbraw/zinc/06/54/20/1068065420.db2.gz QZSHHMBDCYZIJC-VLCRHTCISA-N 1 0 485.654 4.091 20 0 JIADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CC2(C)CCCC2)CC1 ZINC001353386469 1068076940 /nfs/dbraw/zinc/07/69/40/1068076940.db2.gz GSYVOSKDVLJQKP-UHFFFAOYSA-N 1 0 454.428 4.135 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001358439120 1068091495 /nfs/dbraw/zinc/09/14/95/1068091495.db2.gz RACCJXCIGXXNBW-RZLJKOCPSA-N 1 0 457.618 4.160 20 0 JIADRO COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)on2)c1 ZINC001358450636 1068094852 /nfs/dbraw/zinc/09/48/52/1068094852.db2.gz NWSSTJIKQDKAMJ-UHFFFAOYSA-N 1 0 456.930 4.455 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1cccc(Br)c1 ZINC001358457731 1068095832 /nfs/dbraw/zinc/09/58/32/1068095832.db2.gz XQYDICJLHTVZLS-UHFFFAOYSA-N 1 0 459.388 4.181 20 0 JIADRO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001358456763 1068095955 /nfs/dbraw/zinc/09/59/55/1068095955.db2.gz NHIXQALJBINKKQ-QFIPXVFZSA-N 1 0 458.647 4.407 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300297605 1068132179 /nfs/dbraw/zinc/13/21/79/1068132179.db2.gz MZILDKBJGMMRMH-UXHICEINSA-N 1 0 459.660 4.072 20 0 JIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001473438218 1068169032 /nfs/dbraw/zinc/16/90/32/1068169032.db2.gz ROAHCKQQWFWGGE-ICSRJNTNSA-N 1 0 459.537 4.123 20 0 JIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001473432806 1068174580 /nfs/dbraw/zinc/17/45/80/1068174580.db2.gz PCCMAKOHENTZFM-UHFFFAOYSA-N 1 0 450.558 4.026 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300311050 1068187237 /nfs/dbraw/zinc/18/72/37/1068187237.db2.gz CDJZWGYPAIAMMA-NRFANRHFSA-N 1 0 457.644 4.464 20 0 JIADRO COc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300310952 1068188012 /nfs/dbraw/zinc/18/80/12/1068188012.db2.gz OKVQCOOZSIMOLA-ZFGGDYGUSA-N 1 0 485.673 4.410 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300312165 1068195705 /nfs/dbraw/zinc/19/57/05/1068195705.db2.gz JQUINOFYDOTFNP-QFIPXVFZSA-N 1 0 478.641 4.293 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001473549624 1068243261 /nfs/dbraw/zinc/24/32/61/1068243261.db2.gz HUSDIXHYSNIBJI-URXFXBBRSA-N 1 0 452.599 4.428 20 0 JIADRO CC(C)[C@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)[NH+]1CCC(C)CC1 ZINC001353514593 1068251990 /nfs/dbraw/zinc/25/19/90/1068251990.db2.gz HWMLCNYEQXZPAE-SFHVURJKSA-N 1 0 453.450 4.242 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200365254 1068255219 /nfs/dbraw/zinc/25/52/19/1068255219.db2.gz ZRIQMALMGUGZGB-CQSZACIVSA-N 1 0 450.370 4.493 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCCSC)CC2)c1 ZINC001300332215 1068281368 /nfs/dbraw/zinc/28/13/68/1068281368.db2.gz JIEXXVNSSIJJIL-LJQANCHMSA-N 1 0 455.628 4.491 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)c1 ZINC000517474213 1068292915 /nfs/dbraw/zinc/29/29/15/1068292915.db2.gz ZHIZGPJLYWTUJH-UHFFFAOYSA-N 1 0 482.629 4.300 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)[NH+]1CCCC1 ZINC000518164426 1068302512 /nfs/dbraw/zinc/30/25/12/1068302512.db2.gz BKDOCZDKICRPBA-FQEVSTJZSA-N 1 0 451.596 4.405 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nnc(NCCc4ccccc4)s3)CC2)cc1 ZINC000614000297 1068305428 /nfs/dbraw/zinc/30/54/28/1068305428.db2.gz VBQQIXVGSAHWGJ-UHFFFAOYSA-N 1 0 481.691 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C2CCC(C)CC2)[NH+](C)C)c1 ZINC001300335569 1068307338 /nfs/dbraw/zinc/30/73/38/1068307338.db2.gz UAUHMMHGVWJQJR-HCPAQRILSA-N 1 0 451.619 4.005 20 0 JIADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353552043 1068316016 /nfs/dbraw/zinc/31/60/16/1068316016.db2.gz UKOCGGJLKPDJIN-UHFFFAOYSA-N 1 0 455.356 4.417 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3nccs3)CC2)[NH+](C)C)c1 ZINC001300339053 1068318734 /nfs/dbraw/zinc/31/87/34/1068318734.db2.gz GNBNVPXRKUAOHP-JOCHJYFZSA-N 1 0 497.713 4.351 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339415 1068319459 /nfs/dbraw/zinc/31/94/59/1068319459.db2.gz HNVKOUABHPNVIH-FYYLOGMGSA-N 1 0 498.716 4.309 20 0 JIADRO COCC[NH+]1CCC(NC(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)CC1 ZINC000520412466 1068323558 /nfs/dbraw/zinc/32/35/58/1068323558.db2.gz FSDCCLSRRWHVHS-UHFFFAOYSA-N 1 0 480.634 4.332 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)Cc3nc4ccsc4c(=O)[nH]3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300341155 1068326817 /nfs/dbraw/zinc/32/68/17/1068326817.db2.gz QUSFNJLPYGEXHY-LJQANCHMSA-N 1 0 495.653 4.234 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)[NH+](C)C)c1 ZINC001300341542 1068328474 /nfs/dbraw/zinc/32/84/74/1068328474.db2.gz SCDSMKKBMUWBJD-XLIONFOSSA-N 1 0 476.046 4.445 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)[NH+](C)C)c1 ZINC001300342298 1068330703 /nfs/dbraw/zinc/33/07/03/1068330703.db2.gz VXOQXXDHQKGRAJ-GGAORHGYSA-N 1 0 469.674 4.310 20 0 JIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001200384407 1068342133 /nfs/dbraw/zinc/34/21/33/1068342133.db2.gz YKHCALIQIIFAFR-HSZRJFAPSA-N 1 0 452.599 4.274 20 0 JIADRO CC(C)Cn1c(SCC(=O)Nc2ccn(CC[NH+](C)C)n2)nnc1-c1ccc(Cl)cc1Cl ZINC000523064371 1068342722 /nfs/dbraw/zinc/34/27/22/1068342722.db2.gz CBQTZUMKRNFNTD-UHFFFAOYSA-N 1 0 496.468 4.397 20 0 JIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccn(CC[NH+](C)C)n2)c(OC)c1 ZINC000523723599 1068346921 /nfs/dbraw/zinc/34/69/21/1068346921.db2.gz AWZIZAFPDUWSAD-UHFFFAOYSA-N 1 0 461.566 4.182 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300350838 1068361232 /nfs/dbraw/zinc/36/12/32/1068361232.db2.gz NPPFPNMIWGTGTF-FQEVSTJZSA-N 1 0 472.037 4.097 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300350955 1068362007 /nfs/dbraw/zinc/36/20/07/1068362007.db2.gz SEKZNCYLXMUFQY-FQEVSTJZSA-N 1 0 463.630 4.235 20 0 JIADRO Brc1ccccc1-c1nnc(N2CCC=C(Br)C2)n1CC[N@H+]1CC=CCC1 ZINC001358869169 1068362427 /nfs/dbraw/zinc/36/24/27/1068362427.db2.gz BJVCLFIXEOMPLM-UHFFFAOYSA-N 1 0 493.247 4.458 20 0 JIADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001474154586 1068364570 /nfs/dbraw/zinc/36/45/70/1068364570.db2.gz IOBXANBUYSLTQZ-CABCVRRESA-N 1 0 456.484 4.281 20 0 JIADRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC001474155281 1068366644 /nfs/dbraw/zinc/36/66/44/1068366644.db2.gz FBZCAFAFUFBCKO-LBPRGKRZSA-N 1 0 450.215 4.252 20 0 JIADRO COc1cccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001300360036 1068385476 /nfs/dbraw/zinc/38/54/76/1068385476.db2.gz JVRVVIWCSOWZIK-XMMPIXPASA-N 1 0 494.684 4.079 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001300360509 1068386701 /nfs/dbraw/zinc/38/67/01/1068386701.db2.gz DSNUAJHRWITIRS-SBHAEUEKSA-N 1 0 498.672 4.176 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001300361606 1068391085 /nfs/dbraw/zinc/39/10/85/1068391085.db2.gz LDYQXTRBBMUNIQ-IRLDBZIGSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300361608 1068391184 /nfs/dbraw/zinc/39/11/84/1068391184.db2.gz LDYQXTRBBMUNIQ-RBBKRZOGSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001300369887 1068417437 /nfs/dbraw/zinc/41/74/37/1068417437.db2.gz QMCTWQKLIZXSIF-QHCPKHFHSA-N 1 0 498.672 4.035 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001300370065 1068419162 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/nfs/dbraw/zinc/57/74/84/1068577484.db2.gz NFBOZGHLJSMYRM-HSZRJFAPSA-N 1 0 455.647 4.328 20 0 JIADRO CC(C)(C)OC(=O)Nc1ccc(CNC(=S)NCC[NH+]2CCCCC2)c(OC(F)(F)F)c1 ZINC001200446485 1068581120 /nfs/dbraw/zinc/58/11/20/1068581120.db2.gz NCPAHLMYHFJOEK-UHFFFAOYSA-N 1 0 476.565 4.382 20 0 JIADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(F)cc1Br ZINC001200451522 1068603111 /nfs/dbraw/zinc/60/31/11/1068603111.db2.gz ZHBZJMAQHNBCMD-UHFFFAOYSA-N 1 0 458.169 4.489 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300420702 1068633524 /nfs/dbraw/zinc/63/35/24/1068633524.db2.gz HNULRJCZUCTTBP-RTBURBONSA-N 1 0 468.671 4.399 20 0 JIADRO COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001353829081 1068635275 /nfs/dbraw/zinc/63/52/75/1068635275.db2.gz NBMCCXTWVBINME-HSZRJFAPSA-N 1 0 453.583 4.366 20 0 JIADRO C[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001353893629 1068727945 /nfs/dbraw/zinc/72/79/45/1068727945.db2.gz MOSKXJCDVJFVNN-KRWDZBQOSA-N 1 0 450.410 4.386 20 0 JIADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC001353895836 1068729639 /nfs/dbraw/zinc/72/96/39/1068729639.db2.gz YQIXVZCMGIPGRX-UHFFFAOYSA-N 1 0 458.027 4.386 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300446413 1068737037 /nfs/dbraw/zinc/73/70/37/1068737037.db2.gz PNTZECBIJIDDCH-HXUWFJFHSA-N 1 0 464.614 4.127 20 0 JIADRO COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccco1)[NH+]1CCCC1 ZINC001300457049 1068779044 /nfs/dbraw/zinc/77/90/44/1068779044.db2.gz ZCXACHCOJSMSQH-FPOVZHCZSA-N 1 0 480.613 4.052 20 0 JIADRO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)c1OC ZINC001200511783 1068800279 /nfs/dbraw/zinc/80/02/79/1068800279.db2.gz JFVPSKMHAXJWSE-SESVDKBCSA-N 1 0 459.681 4.372 20 0 JIADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3cc(OC)c(OC)cc3C)c2)cc1 ZINC001200514599 1068802690 /nfs/dbraw/zinc/80/26/90/1068802690.db2.gz JJTKHNSRHPJXQK-UHFFFAOYSA-N 1 0 456.564 4.111 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300466464 1068805623 /nfs/dbraw/zinc/80/56/23/1068805623.db2.gz LOQIDRPNOYEUDP-PZJWPPBQSA-N 1 0 484.670 4.007 20 0 JIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC001200517133 1068806641 /nfs/dbraw/zinc/80/66/41/1068806641.db2.gz XODGOFIPAKWNQQ-JGCGQSQUSA-N 1 0 451.592 4.257 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300467122 1068806810 /nfs/dbraw/zinc/80/68/10/1068806810.db2.gz XDHBSWSRQLZUJN-FQEVSTJZSA-N 1 0 498.672 4.274 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cnc(C)s2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300469350 1068809933 /nfs/dbraw/zinc/80/99/33/1068809933.db2.gz HYEIWQWQQBUXOF-OAQYLSRUSA-N 1 0 454.644 4.475 20 0 JIADRO COc1ccccc1-c1nnc(N(Cc2ccco2)C(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300474053 1068820444 /nfs/dbraw/zinc/82/04/44/1068820444.db2.gz SBTFLUWEDLAEAL-HSZRJFAPSA-N 1 0 467.614 4.319 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300475334 1068823380 /nfs/dbraw/zinc/82/33/80/1068823380.db2.gz SYOQFIUBULWJNR-HXUWFJFHSA-N 1 0 454.644 4.210 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300481021 1068834937 /nfs/dbraw/zinc/83/49/37/1068834937.db2.gz GSTCENXGYCYVGF-UNMCSNQZSA-N 1 0 455.647 4.183 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCN(C)CC(F)(F)F ZINC001492567523 1068835154 /nfs/dbraw/zinc/83/51/54/1068835154.db2.gz BULBHTIYRMDEJO-UHFFFAOYSA-N 1 0 452.569 4.058 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300481184 1068835312 /nfs/dbraw/zinc/83/53/12/1068835312.db2.gz HYCBWUDWVIUGPI-QFIPXVFZSA-N 1 0 467.658 4.373 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300482205 1068837532 /nfs/dbraw/zinc/83/75/32/1068837532.db2.gz LJVQIUKQTBHGEQ-NHCUHLMSSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300482986 1068838553 /nfs/dbraw/zinc/83/85/53/1068838553.db2.gz NQEMTKKJMUBILO-NHCUHLMSSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300482988 1068838590 /nfs/dbraw/zinc/83/85/90/1068838590.db2.gz NQEMTKKJMUBILO-RTWAWAEBSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cc(NC(=S)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c(OC)cc1Cl ZINC001200534774 1068844523 /nfs/dbraw/zinc/84/45/23/1068844523.db2.gz CHGTYUWMSGMKGV-UHFFFAOYSA-N 1 0 491.057 4.064 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300486418 1068847453 /nfs/dbraw/zinc/84/74/53/1068847453.db2.gz WZFOXJRWSYDKSX-VXKWHMMOSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300494886 1068863327 /nfs/dbraw/zinc/86/33/27/1068863327.db2.gz YOPYZUIHXVPQNT-AREMUKBSSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300496238 1068864973 /nfs/dbraw/zinc/86/49/73/1068864973.db2.gz GFVXNWMACBVLRG-NVQXNPDNSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1cc(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)ccc1N1CC[NH+](C)CC1 ZINC001354051376 1068865976 /nfs/dbraw/zinc/86/59/76/1068865976.db2.gz WKYJTMBAYKMCLC-UHFFFAOYSA-N 1 0 458.484 4.488 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300498465 1068866906 /nfs/dbraw/zinc/86/69/06/1068866906.db2.gz NWUJDUFBEMFWPE-DHIUTWEWSA-N 1 0 496.700 4.063 20 0 JIADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC001200553042 1068875991 /nfs/dbraw/zinc/87/59/91/1068875991.db2.gz YSWBUCKWQLROQV-UHFFFAOYSA-N 1 0 453.384 4.355 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001300506744 1068879738 /nfs/dbraw/zinc/87/97/38/1068879738.db2.gz WPZPVCRWMOEDTF-HXUWFJFHSA-N 1 0 486.661 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300507102 1068880754 /nfs/dbraw/zinc/88/07/54/1068880754.db2.gz JIGHUOAOFGXKHU-OAQYLSRUSA-N 1 0 498.672 4.133 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001300513480 1068893887 /nfs/dbraw/zinc/89/38/87/1068893887.db2.gz NSOLPMMTSXSZSS-RDGATRHJSA-N 1 0 499.700 4.342 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(OC)CCCC1 ZINC001300513911 1068895447 /nfs/dbraw/zinc/89/54/47/1068895447.db2.gz TZSYJIAXCFFYBF-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300519229 1068905894 /nfs/dbraw/zinc/90/58/94/1068905894.db2.gz AJIGXQNYGNGFOJ-HKBOAZHASA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300519715 1068907455 /nfs/dbraw/zinc/90/74/55/1068907455.db2.gz FGVBODYJQPDUBO-SFTDATJTSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1OC ZINC001354132978 1068919533 /nfs/dbraw/zinc/91/95/33/1068919533.db2.gz CEPIXOCXSAHGTP-IBGZPJMESA-N 1 0 453.583 4.336 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1nnc(-c2ccco2)n1CC ZINC001354147805 1068931423 /nfs/dbraw/zinc/93/14/23/1068931423.db2.gz UHYCNBFODSZNLF-HXUWFJFHSA-N 1 0 453.612 4.021 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300535575 1068955279 /nfs/dbraw/zinc/95/52/79/1068955279.db2.gz LGNVCMOPYZSJDO-OAQYLSRUSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300536103 1068955793 /nfs/dbraw/zinc/95/57/93/1068955793.db2.gz OPDNAOYWSBPGKR-NRFANRHFSA-N 1 0 480.638 4.483 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001200587170 1068961802 /nfs/dbraw/zinc/96/18/02/1068961802.db2.gz MFVCLYDALTZHRJ-HNNXBMFYSA-N 1 0 457.015 4.239 20 0 JIADRO CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000849205462 1068963577 /nfs/dbraw/zinc/96/35/77/1068963577.db2.gz FMOPAQNFXFFMML-CUBQBAPOSA-N 1 0 493.648 4.487 20 0 JIADRO CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000849205465 1068963701 /nfs/dbraw/zinc/96/37/01/1068963701.db2.gz FMOPAQNFXFFMML-RBJSKKJNSA-N 1 0 493.648 4.487 20 0 JIADRO COc1ccc(CCn2c(SCC[NH+]3CCCC3)nc3sc4c(c3c2=O)CCC4)cc1OC ZINC000849209995 1068967612 /nfs/dbraw/zinc/96/76/12/1068967612.db2.gz GAJPHHHIINCGJV-UHFFFAOYSA-N 1 0 485.675 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300539744 1068967657 /nfs/dbraw/zinc/96/76/57/1068967657.db2.gz MKGGNEJPDWCLDD-VWLOTQADSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300540341 1068970652 /nfs/dbraw/zinc/97/06/52/1068970652.db2.gz UOOGKKBEASJQOI-UQBPGWFLSA-N 1 0 452.603 4.012 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300549039 1068994013 /nfs/dbraw/zinc/99/40/13/1068994013.db2.gz QOYZGZHMXJKGPO-ACRUOGEOSA-N 1 0 457.688 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300551753 1069001126 /nfs/dbraw/zinc/00/11/26/1069001126.db2.gz GAIJEQNAMFBUPR-QGZVFWFLSA-N 1 0 474.447 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H](C)[NH+](C)C ZINC001300551947 1069001791 /nfs/dbraw/zinc/00/17/91/1069001791.db2.gz MGRRXGNFYIFTAS-AWEZNQCLSA-N 1 0 479.469 4.149 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492570704 1069005401 /nfs/dbraw/zinc/00/54/01/1069005401.db2.gz HBFDCDGQFDYDHR-XZOQPEGZSA-N 1 0 455.647 4.148 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492570703 1069005462 /nfs/dbraw/zinc/00/54/62/1069005462.db2.gz HBFDCDGQFDYDHR-PKTZIBPZSA-N 1 0 455.647 4.148 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001492586999 1069018943 /nfs/dbraw/zinc/01/89/43/1069018943.db2.gz ATSQDNKGVKKPGL-UNMCSNQZSA-N 1 0 497.581 4.407 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300561316 1069032356 /nfs/dbraw/zinc/03/23/56/1069032356.db2.gz FHOXHTJZBNCTRA-GMAHTHKFSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300564506 1069047088 /nfs/dbraw/zinc/04/70/88/1069047088.db2.gz QXUGNBRVDWBFLA-OYRHEFFESA-N 1 0 469.674 4.392 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001492572902 1069047937 /nfs/dbraw/zinc/04/79/37/1069047937.db2.gz KMSKXTSZPPQYHE-JOCHJYFZSA-N 1 0 475.641 4.347 20 0 JIADRO COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481034 1069049532 /nfs/dbraw/zinc/04/95/32/1069049532.db2.gz IZKNRYQKBNKDAJ-JWQCQUIFSA-N 1 0 475.593 4.134 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492573057 1069050978 /nfs/dbraw/zinc/05/09/78/1069050978.db2.gz NRYKCDHONISRJZ-XJUOHMSHSA-N 1 0 466.674 4.087 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487875 1069053822 /nfs/dbraw/zinc/05/38/22/1069053822.db2.gz ATRHZMPKXVDHCW-MOPGFXCFSA-N 1 0 463.529 4.160 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849488511 1069056567 /nfs/dbraw/zinc/05/65/67/1069056567.db2.gz CLSUMPLPCZDQSA-VQTJNVASSA-N 1 0 452.628 4.083 20 0 JIADRO COc1cc(CCC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490833 1069058545 /nfs/dbraw/zinc/05/85/45/1069058545.db2.gz KTZFRKDWFOABKB-SVBPBHIXSA-N 1 0 482.669 4.123 20 0 JIADRO COc1ccc(-c2nc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490684 1069058556 /nfs/dbraw/zinc/05/85/56/1069058556.db2.gz WCCDLXGQODWDPV-SFTDATJTSA-N 1 0 453.612 4.313 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497415 1069068472 /nfs/dbraw/zinc/06/84/72/1069068472.db2.gz NXPQDUKOTUTZAP-VQTJNVASSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849497044 1069068631 /nfs/dbraw/zinc/06/86/31/1069068631.db2.gz CONRWFPQGOBXPZ-SFTDATJTSA-N 1 0 461.448 4.091 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502431 1069074617 /nfs/dbraw/zinc/07/46/17/1069074617.db2.gz CAYFEEXJBPAEQY-RBUKOAKNSA-N 1 0 488.455 4.212 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)[NH+]2CCCC2)cc1 ZINC000504152948 1069077489 /nfs/dbraw/zinc/07/74/89/1069077489.db2.gz PDOCUNJTVLNYIG-HXUWFJFHSA-N 1 0 455.559 4.235 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849502691 1069078661 /nfs/dbraw/zinc/07/86/61/1069078661.db2.gz DRGGTHIZFGZWNR-DHIUTWEWSA-N 1 0 477.609 4.136 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001492574508 1069080346 /nfs/dbraw/zinc/08/03/46/1069080346.db2.gz UDYFNPWPXSFFAJ-XMMPIXPASA-N 1 0 494.728 4.430 20 0 JIADRO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1F ZINC000849503896 1069081306 /nfs/dbraw/zinc/08/13/06/1069081306.db2.gz MWSWWVCLRJMETM-NHCUHLMSSA-N 1 0 455.603 4.368 20 0 JIADRO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849504891 1069083278 /nfs/dbraw/zinc/08/32/78/1069083278.db2.gz GEZKOODYCWDACR-GOTSBHOMSA-N 1 0 459.594 4.433 20 0 JIADRO CCOc1cc(Br)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OCC ZINC000849504695 1069084653 /nfs/dbraw/zinc/08/46/53/1069084653.db2.gz DMPHOECCUDKIBH-QZTJIDSGSA-N 1 0 493.446 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849505774 1069087211 /nfs/dbraw/zinc/08/72/11/1069087211.db2.gz JKLWGWQVDDWFQU-QHAWAJNXSA-N 1 0 461.006 4.084 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849508185 1069088986 /nfs/dbraw/zinc/08/89/86/1069088986.db2.gz SQWWLOHDSHRDDC-PKTZIBPZSA-N 1 0 492.586 4.117 20 0 JIADRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849509600 1069092543 /nfs/dbraw/zinc/09/25/43/1069092543.db2.gz ZWWFDJXYKHIOQN-RTBURBONSA-N 1 0 468.627 4.221 20 0 JIADRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849509599 1069092760 /nfs/dbraw/zinc/09/27/60/1069092760.db2.gz ZWWFDJXYKHIOQN-RBUKOAKNSA-N 1 0 468.627 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511371 1069093275 /nfs/dbraw/zinc/09/32/75/1069093275.db2.gz YGYCFNCCDPUZHJ-ORYQWCPZSA-N 1 0 452.521 4.053 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccn(-c4ccc(Br)cc4)n3)cc2)CC1 ZINC001354306732 1069093777 /nfs/dbraw/zinc/09/37/77/1069093777.db2.gz ASLPDGZHQTUAHP-UHFFFAOYSA-N 1 0 454.372 4.029 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)[NH+]2CCCCC2)cc1 ZINC000504172055 1069096936 /nfs/dbraw/zinc/09/69/36/1069096936.db2.gz ORJZKPONCTZGGE-JOCHJYFZSA-N 1 0 481.622 4.495 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000849515010 1069098761 /nfs/dbraw/zinc/09/87/61/1069098761.db2.gz KHTOCGRIXYUKIV-SFTDATJTSA-N 1 0 466.548 4.356 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514570 1069099665 /nfs/dbraw/zinc/09/96/65/1069099665.db2.gz IEFYNEZUUFHYRO-NHCUHLMSSA-N 1 0 485.430 4.129 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516027 1069101726 /nfs/dbraw/zinc/10/17/26/1069101726.db2.gz IKSIOVHPBSNQMD-NHCUHLMSSA-N 1 0 450.549 4.347 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516994 1069103236 /nfs/dbraw/zinc/10/32/36/1069103236.db2.gz LZCOTWDRSRYYOL-DQEYMECFSA-N 1 0 468.605 4.314 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300578512 1069106231 /nfs/dbraw/zinc/10/62/31/1069106231.db2.gz IRFSEOGOTJLJII-SLFFLAALSA-N 1 0 461.601 4.337 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849517503 1069108008 /nfs/dbraw/zinc/10/80/08/1069108008.db2.gz CYMGCXPNLOGRKJ-PKTZIBPZSA-N 1 0 481.641 4.018 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000504187663 1069109531 /nfs/dbraw/zinc/10/95/31/1069109531.db2.gz HCCXZXJMMYPMBI-INIZCTEOSA-N 1 0 486.592 4.432 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518620 1069110191 /nfs/dbraw/zinc/11/01/91/1069110191.db2.gz OGPCEXJSIVPGEA-LOSJGSFVSA-N 1 0 471.605 4.076 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)CC1 ZINC000504191153 1069114094 /nfs/dbraw/zinc/11/40/94/1069114094.db2.gz PHPLQBNHWJZDQD-KRWDZBQOSA-N 1 0 498.628 4.301 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522792 1069116568 /nfs/dbraw/zinc/11/65/68/1069116568.db2.gz ORVRCIDDXRJXLE-LOSJGSFVSA-N 1 0 472.593 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849525312 1069118312 /nfs/dbraw/zinc/11/83/12/1069118312.db2.gz MQCGZPNHJWJVHI-IRXDYDNUSA-N 1 0 481.544 4.424 20 0 JIADRO COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849525037 1069120058 /nfs/dbraw/zinc/12/00/58/1069120058.db2.gz MFFJPLNEWVOPKP-ZEQRLZLVSA-N 1 0 462.594 4.351 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526334 1069121142 /nfs/dbraw/zinc/12/11/42/1069121142.db2.gz SDXAKISNQVBELQ-FCHUYYIVSA-N 1 0 492.495 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526291 1069121358 /nfs/dbraw/zinc/12/13/58/1069121358.db2.gz RLEBDDKKLDCVQC-DNQXCXABSA-N 1 0 478.568 4.335 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525780 1069122553 /nfs/dbraw/zinc/12/25/53/1069122553.db2.gz OOTDFLHZUKJTTH-GOTSBHOMSA-N 1 0 478.666 4.159 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300583079 1069125574 /nfs/dbraw/zinc/12/55/74/1069125574.db2.gz OFQUASFGEOWLBV-OAQYLSRUSA-N 1 0 455.647 4.124 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849535244 1069148306 /nfs/dbraw/zinc/14/83/06/1069148306.db2.gz OJWPCPVJYODWFO-DQEYMECFSA-N 1 0 486.682 4.120 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547149 1069182665 /nfs/dbraw/zinc/18/26/65/1069182665.db2.gz FRXSPDDXFFUAMV-QZTJIDSGSA-N 1 0 487.391 4.048 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546879 1069184883 /nfs/dbraw/zinc/18/48/83/1069184883.db2.gz DEESGZAAZABJJB-QZTJIDSGSA-N 1 0 477.462 4.439 20 0 JIADRO CCCCOCCN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548250 1069186282 /nfs/dbraw/zinc/18/62/82/1069186282.db2.gz LNLTWOKEZDEANM-FCHUYYIVSA-N 1 0 477.447 4.068 20 0 JIADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C ZINC000849547557 1069186885 /nfs/dbraw/zinc/18/68/85/1069186885.db2.gz GJHSGHQSHNIGCV-YADHBBJMSA-N 1 0 499.457 4.438 20 0 JIADRO CCCCOCCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548567 1069188448 /nfs/dbraw/zinc/18/84/48/1069188448.db2.gz NAJPFBJSLZGHMM-FGZHOGPDSA-N 1 0 477.447 4.068 20 0 JIADRO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849551294 1069190930 /nfs/dbraw/zinc/19/09/30/1069190930.db2.gz AIYUXZBJJAVQHN-DHIUTWEWSA-N 1 0 472.593 4.220 20 0 JIADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550536 1069192112 /nfs/dbraw/zinc/19/21/12/1069192112.db2.gz ZGGNWKCVCZTTKH-RTWAWAEBSA-N 1 0 473.499 4.325 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849553047 1069195964 /nfs/dbraw/zinc/19/59/64/1069195964.db2.gz PXKSBMUYXXJWGV-YADHBBJMSA-N 1 0 481.641 4.412 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849553227 1069196018 /nfs/dbraw/zinc/19/60/18/1069196018.db2.gz QJEVOAHAIIAFCQ-FGZHOGPDSA-N 1 0 473.459 4.187 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554161 1069197370 /nfs/dbraw/zinc/19/73/70/1069197370.db2.gz UZLSIKRBZZAAPQ-PMACEKPBSA-N 1 0 458.488 4.252 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553824 1069198016 /nfs/dbraw/zinc/19/80/16/1069198016.db2.gz TUJHGNAHGLJINP-SFLYRZDNSA-N 1 0 452.986 4.023 20 0 JIADRO Cc1sc(CCNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555465 1069199196 /nfs/dbraw/zinc/19/91/96/1069199196.db2.gz YZHXMIDRGDDABG-YADHBBJMSA-N 1 0 451.640 4.025 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556169 1069200489 /nfs/dbraw/zinc/20/04/89/1069200489.db2.gz AORVFKLJTCSSHQ-UXHICEINSA-N 1 0 493.409 4.400 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000849557028 1069203216 /nfs/dbraw/zinc/20/32/16/1069203216.db2.gz YDJNVLABNNVXNW-BJKOFHAPSA-N 1 0 452.599 4.420 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C[C@@H](C)O2 ZINC000849556876 1069204369 /nfs/dbraw/zinc/20/43/69/1069204369.db2.gz DWPIEIMQJSUDSD-BHIYHBOVSA-N 1 0 475.431 4.119 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H](c2cnn(C)c2)C1 ZINC000849563119 1069212726 /nfs/dbraw/zinc/21/27/26/1069212726.db2.gz PCEMWRHEHPLASM-ZWKOTPCHSA-N 1 0 456.388 4.183 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562553 1069212830 /nfs/dbraw/zinc/21/28/30/1069212830.db2.gz FHRRWJAIAKHJEW-NHCUHLMSSA-N 1 0 459.432 4.189 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565406 1069213889 /nfs/dbraw/zinc/21/38/89/1069213889.db2.gz TWNJILGXYHBJBQ-KAYWLYCHSA-N 1 0 457.622 4.487 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565444 1069214167 /nfs/dbraw/zinc/21/41/67/1069214167.db2.gz VUKNLMFZEQRAQD-VQTJNVASSA-N 1 0 474.447 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565407 1069214558 /nfs/dbraw/zinc/21/45/58/1069214558.db2.gz TWNJILGXYHBJBQ-RRPNLBNLSA-N 1 0 457.622 4.487 20 0 JIADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566051 1069217272 /nfs/dbraw/zinc/21/72/72/1069217272.db2.gz YFCRTDFYOSFIHB-ZOCIIQOWSA-N 1 0 488.455 4.219 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568449 1069219504 /nfs/dbraw/zinc/21/95/04/1069219504.db2.gz OJRGLYDGBQHOLL-YADHBBJMSA-N 1 0 468.646 4.252 20 0 JIADRO COCCOc1c(Cl)cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849573277 1069224610 /nfs/dbraw/zinc/22/46/10/1069224610.db2.gz RIDORZPBANFKOU-ZWKOTPCHSA-N 1 0 469.413 4.205 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849577579 1069229919 /nfs/dbraw/zinc/22/99/19/1069229919.db2.gz OAZBACBQIRSZPD-BDTNDASRSA-N 1 0 477.422 4.403 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579204 1069230499 /nfs/dbraw/zinc/23/04/99/1069230499.db2.gz WCPVGVYKJJMBKR-VXKWHMMOSA-N 1 0 485.032 4.078 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581380 1069231600 /nfs/dbraw/zinc/23/16/00/1069231600.db2.gz GSHXITFAILTLAR-SVRULCTHSA-N 1 0 453.656 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849579942 1069231928 /nfs/dbraw/zinc/23/19/28/1069231928.db2.gz SXMOFCYNBVMHFA-PUHATCMVSA-N 1 0 477.678 4.279 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581074 1069232684 /nfs/dbraw/zinc/23/26/84/1069232684.db2.gz DQAQXEPQDJTXMI-DNQXCXABSA-N 1 0 462.594 4.460 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849582539 1069234047 /nfs/dbraw/zinc/23/40/47/1069234047.db2.gz NUNIOPDAYRSJOA-FCHUYYIVSA-N 1 0 478.559 4.075 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(C)([NH+]2CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)CC1 ZINC001200671692 1069235074 /nfs/dbraw/zinc/23/50/74/1069235074.db2.gz PCYXZHJEAWPXBR-UHFFFAOYSA-N 1 0 454.587 4.069 20 0 JIADRO CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)[C@H]3CC[N@H+](CC)C3)c2)cc1 ZINC001300619214 1069237380 /nfs/dbraw/zinc/23/73/80/1069237380.db2.gz GHGOJLWZPWNFQJ-QHCPKHFHSA-N 1 0 457.640 4.386 20 0 JIADRO COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588082 1069239968 /nfs/dbraw/zinc/23/99/68/1069239968.db2.gz PIOAOEUVIPNJBA-LOSJGSFVSA-N 1 0 468.642 4.080 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001492576491 1069243925 /nfs/dbraw/zinc/24/39/25/1069243925.db2.gz UKTFYNKFPWXPMZ-QHCPKHFHSA-N 1 0 463.655 4.220 20 0 JIADRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849593087 1069245307 /nfs/dbraw/zinc/24/53/07/1069245307.db2.gz AXYKLDKIPIIHJX-DHIUTWEWSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849594424 1069245513 /nfs/dbraw/zinc/24/55/13/1069245513.db2.gz TUXYVJCKRKEAJB-YYWHXJBOSA-N 1 0 450.549 4.342 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300623101 1069250680 /nfs/dbraw/zinc/25/06/80/1069250680.db2.gz VYWQVEIDMWSBQL-NRFANRHFSA-N 1 0 480.657 4.318 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849599143 1069255173 /nfs/dbraw/zinc/25/51/73/1069255173.db2.gz LAZHPSPXZNTZDD-XZOQPEGZSA-N 1 0 467.614 4.123 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849599141 1069255218 /nfs/dbraw/zinc/25/52/18/1069255218.db2.gz LAZHPSPXZNTZDD-GOTSBHOMSA-N 1 0 467.614 4.123 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300625185 1069256181 /nfs/dbraw/zinc/25/61/81/1069256181.db2.gz DHYNIILWTOKLCC-VXKWHMMOSA-N 1 0 455.647 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](c2cnn(C)c2)C1 ZINC000849600755 1069257624 /nfs/dbraw/zinc/25/76/24/1069257624.db2.gz GDBBUUVNIFZGCV-MSOLQXFVSA-N 1 0 460.504 4.077 20 0 JIADRO Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc(NC(=O)OC(C)(C)C)c1 ZINC000849601859 1069258367 /nfs/dbraw/zinc/25/83/67/1069258367.db2.gz XLJDLZJXQWCIHN-PKTZIBPZSA-N 1 0 469.630 4.206 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849603799 1069261409 /nfs/dbraw/zinc/26/14/09/1069261409.db2.gz GXDUPQSOGNBZFC-XZOQPEGZSA-N 1 0 456.594 4.340 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849604445 1069261476 /nfs/dbraw/zinc/26/14/76/1069261476.db2.gz XGINUJQZISGKAN-SJLPKXTDSA-N 1 0 456.388 4.183 20 0 JIADRO COc1cccc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc2)c1 ZINC000849608015 1069264129 /nfs/dbraw/zinc/26/41/29/1069264129.db2.gz MDCYTBHWNFTISC-GOTSBHOMSA-N 1 0 465.623 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849609536 1069267075 /nfs/dbraw/zinc/26/70/75/1069267075.db2.gz CJKFHJMHMXZGGB-WMZOPIPTSA-N 1 0 456.388 4.183 20 0 JIADRO Cc1ccccc1-n1ncc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(F)F ZINC000849610071 1069267600 /nfs/dbraw/zinc/26/76/00/1069267600.db2.gz XWWAGXLTWQZKDI-MOPGFXCFSA-N 1 0 456.541 4.304 20 0 JIADRO Cc1ccccc1-n1ncc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(F)F ZINC000849610172 1069267621 /nfs/dbraw/zinc/26/76/21/1069267621.db2.gz XWWAGXLTWQZKDI-OALUTQOASA-N 1 0 456.541 4.304 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611274 1069268505 /nfs/dbraw/zinc/26/85/05/1069268505.db2.gz VXXLOHLBTHVZOK-CHWSQXEVSA-N 1 0 466.430 4.042 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300629072 1069270017 /nfs/dbraw/zinc/27/00/17/1069270017.db2.gz YMJMQUUPRXBEPU-JOCHJYFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300629074 1069270342 /nfs/dbraw/zinc/27/03/42/1069270342.db2.gz YMJMQUUPRXBEPU-QFIPXVFZSA-N 1 0 492.668 4.298 20 0 JIADRO CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849611961 1069272618 /nfs/dbraw/zinc/27/26/18/1069272618.db2.gz CTKAVQFJBVFKHX-CVEARBPZSA-N 1 0 462.417 4.029 20 0 JIADRO Brc1cncc(Br)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC001200682881 1069273335 /nfs/dbraw/zinc/27/33/35/1069273335.db2.gz RTAUDBSFEAHQRJ-UHFFFAOYSA-N 1 0 454.191 4.457 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492577434 1069280552 /nfs/dbraw/zinc/28/05/52/1069280552.db2.gz QVBSZSZZGWHMBV-OAQYLSRUSA-N 1 0 452.672 4.433 20 0 JIADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001354513115 1069282608 /nfs/dbraw/zinc/28/26/08/1069282608.db2.gz AGEQNEHYRRCIQO-BPUDTRNYSA-N 1 0 457.977 4.294 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300632953 1069284877 /nfs/dbraw/zinc/28/48/77/1069284877.db2.gz PNSHOPGSFASZPM-BERHBOFZSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300639182 1069301598 /nfs/dbraw/zinc/30/15/98/1069301598.db2.gz INEPXWSSVZUZLT-SFTDATJTSA-N 1 0 471.646 4.134 20 0 JIADRO c1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164408934 718863935 /nfs/dbraw/zinc/86/39/35/718863935.db2.gz OAEIZGSMILAMLH-IRLDBZIGSA-N 1 0 463.651 4.159 20 0 JIADRO c1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164408930 718863982 /nfs/dbraw/zinc/86/39/82/718863982.db2.gz OAEIZGSMILAMLH-IFMALSPDSA-N 1 0 463.651 4.159 20 0 JIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1 ZINC001164409524 718865718 /nfs/dbraw/zinc/86/57/18/718865718.db2.gz RBHBDWNHORVMOE-SJCJKPOMSA-N 1 0 462.850 4.175 20 0 JIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164414976 718886038 /nfs/dbraw/zinc/88/60/38/718886038.db2.gz CBQSVAUPKGCTEY-UHFFFAOYSA-N 1 0 473.959 4.156 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164617522 719010705 /nfs/dbraw/zinc/01/07/05/719010705.db2.gz OLSQKMRPIZDUGZ-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164619903 719011421 /nfs/dbraw/zinc/01/14/21/719011421.db2.gz XKFRBXOESIKFBS-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)CC2)CC1 ZINC001164617936 719031451 /nfs/dbraw/zinc/03/14/51/719031451.db2.gz PNWRIBXYQVHIFZ-HXUWFJFHSA-N 1 0 465.642 4.253 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)CC1 ZINC001164617502 719033562 /nfs/dbraw/zinc/03/35/62/719033562.db2.gz LFUXJQMBQYWXSR-XMMPIXPASA-N 1 0 476.980 4.168 20 0 JIADRO O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628973 719086725 /nfs/dbraw/zinc/08/67/25/719086725.db2.gz PHHHQGBGBFBLEC-LMSSTIIKSA-N 1 0 495.671 4.140 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@H]54)ccc-3c2=O)cc1 ZINC001164629031 719094995 /nfs/dbraw/zinc/09/49/95/719094995.db2.gz QBAMQMROZKCRQZ-WNCULLNHSA-N 1 0 468.601 4.347 20 0 JIADRO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC001164632346 719098356 /nfs/dbraw/zinc/09/83/56/719098356.db2.gz ZHGWFZFBVDWIPK-GMAHTHKFSA-N 1 0 489.689 4.113 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164648919 719296137 /nfs/dbraw/zinc/29/61/37/719296137.db2.gz GJVQQRCMSFTENS-VSKRKVRLSA-N 1 0 476.955 4.005 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649182 719296416 /nfs/dbraw/zinc/29/64/16/719296416.db2.gz HGFVPYXZJOPVTR-CUBQBAPOSA-N 1 0 473.596 4.223 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655771 719322331 /nfs/dbraw/zinc/32/23/31/719322331.db2.gz XWSNYJWAUQMELY-SQHAQQRYSA-N 1 0 479.600 4.199 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164658916 719353024 /nfs/dbraw/zinc/35/30/24/719353024.db2.gz LTXCBPKQMYKZEU-UHFFFAOYSA-N 1 0 463.029 4.075 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164659758 719353710 /nfs/dbraw/zinc/35/37/10/719353710.db2.gz RWMMMIQQXCVNKF-UHFFFAOYSA-N 1 0 456.638 4.372 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164662928 719355747 /nfs/dbraw/zinc/35/57/47/719355747.db2.gz AVVSMCAYYGRZMB-UHFFFAOYSA-N 1 0 486.664 4.155 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4cccc(Cl)c4n3)CC2)c2ccccc21 ZINC001164680978 719661870 /nfs/dbraw/zinc/66/18/70/719661870.db2.gz KLLFESFSAALOAD-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3csc4ncnc(Cl)c34)CC2)c2ccccc21 ZINC001164680944 719664577 /nfs/dbraw/zinc/66/45/77/719664577.db2.gz JFDMYXCAMHFZTI-KRWDZBQOSA-N 1 0 484.069 4.438 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680726 719664695 /nfs/dbraw/zinc/66/46/95/719664695.db2.gz IEZZYWBIEMKANB-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4ccccc4nc3Cl)CC2)c2ccccc21 ZINC001164681785 719665066 /nfs/dbraw/zinc/66/50/66/719665066.db2.gz QWWBAVOUNWASFP-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cc(F)ccc4n3)CC2)c2ccccc21 ZINC001164686841 719666191 /nfs/dbraw/zinc/66/61/91/719666191.db2.gz XNFWMWMLABHWCV-OAQYLSRUSA-N 1 0 460.597 4.467 20 0 JIADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681157 719670512 /nfs/dbraw/zinc/67/05/12/719670512.db2.gz KIWLGWUYTSYXES-IBGZPJMESA-N 1 0 499.055 4.005 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4cccs4)nn3)CC2)c2ccccc21 ZINC001164684540 719673516 /nfs/dbraw/zinc/67/35/16/719673516.db2.gz UOVZQDDOLZNGFR-FQEVSTJZSA-N 1 0 475.662 4.299 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C(C)(C)C)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164680862 719675664 /nfs/dbraw/zinc/67/56/64/719675664.db2.gz IEVDMDJYNDCGTQ-FQEVSTJZSA-N 1 0 488.680 4.349 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680740 719680306 /nfs/dbraw/zinc/68/03/06/719680306.db2.gz HHAYIGLTTGWQTI-XMMPIXPASA-N 1 0 498.675 4.249 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccnc3Oc3ccccc3)CC2)c2ccccc21 ZINC001164685613 719680838 /nfs/dbraw/zinc/68/08/38/719680838.db2.gz LHAPOUPJRBMUAG-QFIPXVFZSA-N 1 0 485.632 4.362 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc(-c4ccccc4)cc3)n1)CC2 ZINC001164689398 719748439 /nfs/dbraw/zinc/74/84/39/719748439.db2.gz FIHQCMHMFFACRM-UHFFFAOYSA-N 1 0 455.606 4.300 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691913 719809162 /nfs/dbraw/zinc/80/91/62/719809162.db2.gz AMSUXFYSTGAGEA-UHFFFAOYSA-N 1 0 472.014 4.470 20 0 JIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCC(C)CC2)CC3)cs1 ZINC001164692183 719813252 /nfs/dbraw/zinc/81/32/52/719813252.db2.gz NDDKBNOCERRPLK-UHFFFAOYSA-N 1 0 453.656 4.354 20 0 JIADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694884 719892008 /nfs/dbraw/zinc/89/20/08/719892008.db2.gz GUUBESNEZUFXKB-GOSISDBHSA-N 1 0 489.045 4.112 20 0 JIADRO COc1cccc(Oc2cncc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696220 719896064 /nfs/dbraw/zinc/89/60/64/719896064.db2.gz CKWRYIKXVZFUCX-UHFFFAOYSA-N 1 0 452.580 4.210 20 0 JIADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707734 719908064 /nfs/dbraw/zinc/90/80/64/719908064.db2.gz WVVFZQODMFCYDD-UHFFFAOYSA-N 1 0 486.972 4.305 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)C2 ZINC001164808558 720086032 /nfs/dbraw/zinc/08/60/32/720086032.db2.gz IDRGYAZUNLDTSV-BTYSJIOQSA-N 1 0 488.632 4.402 20 0 JIADRO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ncccc2C[NH+]2CCCC2)CC3)c1 ZINC001164712442 720089191 /nfs/dbraw/zinc/08/91/91/720089191.db2.gz PXJWRCNQQVWXGX-UHFFFAOYSA-N 1 0 463.607 4.000 20 0 JIADRO COCc1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164712076 720098247 /nfs/dbraw/zinc/09/82/47/720098247.db2.gz VCCMZNLYFUUBJT-RUZDIDTESA-N 1 0 473.621 4.193 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164710005 720100750 /nfs/dbraw/zinc/10/07/50/720100750.db2.gz FDXQTASCZHZPRK-QGZVFWFLSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(OC)nc31)CC2 ZINC001164715511 720121734 /nfs/dbraw/zinc/12/17/34/720121734.db2.gz GRZVYCIQBXEXEY-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164711742 720129104 /nfs/dbraw/zinc/12/91/04/720129104.db2.gz JEXHUWMWGHOQHG-FQEVSTJZSA-N 1 0 498.990 4.359 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164712546 720140953 /nfs/dbraw/zinc/14/09/53/720140953.db2.gz NJCIBODAPSOONX-HXUWFJFHSA-N 1 0 463.651 4.391 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164711647 720148251 /nfs/dbraw/zinc/14/82/51/720148251.db2.gz HQVHWJHCKZCXBQ-XMMPIXPASA-N 1 0 458.610 4.058 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164711707 720149206 /nfs/dbraw/zinc/14/92/06/720149206.db2.gz IAZHEBSSAPWFFC-QFIPXVFZSA-N 1 0 489.620 4.063 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164818702 720165325 /nfs/dbraw/zinc/16/53/25/720165325.db2.gz UDCAGZZMQDRIFJ-IQGLISFBSA-N 1 0 458.002 4.250 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817532 720168254 /nfs/dbraw/zinc/16/82/54/720168254.db2.gz PSTYKUPICKJPLQ-QFQXNSOFSA-N 1 0 469.699 4.089 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819755 720169219 /nfs/dbraw/zinc/16/92/19/720169219.db2.gz YBFNEFLDAPBACR-WXVAWEFUSA-N 1 0 483.726 4.479 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816359 720172366 /nfs/dbraw/zinc/17/23/66/720172366.db2.gz LAROUKDEAJSMPG-IIBYNOLFSA-N 1 0 452.933 4.120 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)C2 ZINC001164811673 720198773 /nfs/dbraw/zinc/19/87/73/720198773.db2.gz JLJFIAMBXGQTMD-KOSHJBKYSA-N 1 0 458.990 4.116 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813404 720237086 /nfs/dbraw/zinc/23/70/86/720237086.db2.gz NYDVILVRRMNJFS-UHFFFAOYSA-N 1 0 489.649 4.177 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164828412 720345284 /nfs/dbraw/zinc/34/52/84/720345284.db2.gz OVPVYSSPFXQCDV-FCHUYYIVSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164828632 720345660 /nfs/dbraw/zinc/34/56/60/720345660.db2.gz OVPVYSSPFXQCDV-VXKWHMMOSA-N 1 0 489.998 4.253 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830729 720346076 /nfs/dbraw/zinc/34/60/76/720346076.db2.gz WTNIEVUCMPWFHU-PKTZIBPZSA-N 1 0 468.045 4.325 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164826685 720353278 /nfs/dbraw/zinc/35/32/78/720353278.db2.gz KTBQGBDKUGFHJH-VXKWHMMOSA-N 1 0 484.044 4.396 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164826488 720353969 /nfs/dbraw/zinc/35/39/69/720353969.db2.gz KDLLPXWSNZBGRE-FCHUYYIVSA-N 1 0 484.044 4.396 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164820450 720384053 /nfs/dbraw/zinc/38/40/53/720384053.db2.gz BPPBXTUFWOGDLI-XMMPIXPASA-N 1 0 496.725 4.097 20 0 JIADRO Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164822207 720393623 /nfs/dbraw/zinc/39/36/23/720393623.db2.gz KOPKHGRTWLMYDJ-NJYVYQBISA-N 1 0 497.011 4.375 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC001164730701 720518305 /nfs/dbraw/zinc/51/83/05/720518305.db2.gz SKCXPJDYCHMTCF-QGZVFWFLSA-N 1 0 462.985 4.353 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164840599 720520002 /nfs/dbraw/zinc/52/00/02/720520002.db2.gz WWHPQRQVNKVUCJ-HJOGWXRNSA-N 1 0 493.055 4.239 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC[C@@H]21 ZINC001164839689 720563168 /nfs/dbraw/zinc/56/31/68/720563168.db2.gz RKHQQPQWSTZRAV-LMNJBCLMSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835061 720565184 /nfs/dbraw/zinc/56/51/84/720565184.db2.gz GVIWNSMMYUJXEQ-XKGZKEIXSA-N 1 0 471.968 4.031 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164837360 720569010 /nfs/dbraw/zinc/56/90/10/720569010.db2.gz LZTDFDAITLSWSE-KPFFTGBYSA-N 1 0 471.968 4.031 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736993 720590769 /nfs/dbraw/zinc/59/07/69/720590769.db2.gz XSSBNBPLSSXPOP-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164841146 720591000 /nfs/dbraw/zinc/59/10/00/720591000.db2.gz RIHWXRUKMYGUFK-MBOZVWFJSA-N 1 0 481.975 4.031 20 0 JIADRO Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164736096 720591615 /nfs/dbraw/zinc/59/16/15/720591615.db2.gz BSJJOKSJBJWKJZ-UHFFFAOYSA-N 1 0 451.018 4.193 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842802 720598905 /nfs/dbraw/zinc/59/89/05/720598905.db2.gz VOYDWPMXYMSIDG-HSALFYBXSA-N 1 0 487.986 4.311 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835263 720604557 /nfs/dbraw/zinc/60/45/57/720604557.db2.gz AUYPLEBCKNNZDJ-DNVJHFABSA-N 1 0 493.725 4.478 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836771 720616045 /nfs/dbraw/zinc/61/60/45/720616045.db2.gz GVQDVDRWGSAQDP-CCDWMCETSA-N 1 0 459.594 4.013 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835664 720623551 /nfs/dbraw/zinc/62/35/51/720623551.db2.gz CHAPKMDFJQDWPV-VYVQKFEUSA-N 1 0 485.007 4.499 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839627 720686707 /nfs/dbraw/zinc/68/67/07/720686707.db2.gz APUPRNNWEYKPRV-SFHVURJKSA-N 1 0 479.955 4.326 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164841090 720688966 /nfs/dbraw/zinc/68/89/66/720688966.db2.gz HQPJDGLNFQPJIM-FQEVSTJZSA-N 1 0 458.002 4.480 20 0 JIADRO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841936 720690558 /nfs/dbraw/zinc/69/05/58/720690558.db2.gz KJPGRBBPTGCJGR-JOCHJYFZSA-N 1 0 460.578 4.066 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841077 720696605 /nfs/dbraw/zinc/69/66/05/720696605.db2.gz HMJMQGNIRPRQNI-LJQANCHMSA-N 1 0 479.955 4.326 20 0 JIADRO C[N@H+](Cc1ccc(N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)nc1)C1CC1 ZINC001164837459 720735219 /nfs/dbraw/zinc/73/52/19/720735219.db2.gz KKXOKNFGKIJJAJ-UHFFFAOYSA-N 1 0 458.585 4.163 20 0 JIADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739431 720735894 /nfs/dbraw/zinc/73/58/94/720735894.db2.gz IOUHUSLICJBGBV-DLBZAZTESA-N 1 0 464.982 4.144 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)nc12 ZINC001164836595 720736772 /nfs/dbraw/zinc/73/67/72/720736772.db2.gz FEBVGZZGPHHFQH-UHFFFAOYSA-N 1 0 450.896 4.216 20 0 JIADRO O=C(c1ccco1)N1CCC2(CC1)CN(c1ncccc1C[NH+]1CCCC1)Cc1ccccc12 ZINC001164843956 720745240 /nfs/dbraw/zinc/74/52/40/720745240.db2.gz MZVCVINXCRUOMF-UHFFFAOYSA-N 1 0 456.590 4.465 20 0 JIADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164745432 720789033 /nfs/dbraw/zinc/78/90/33/720789033.db2.gz KJNSLFBACIICJV-JWQCQUIFSA-N 1 0 464.573 4.251 20 0 JIADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164749299 720845742 /nfs/dbraw/zinc/84/57/42/720845742.db2.gz VPUKJXHRITWMSQ-IEIRFRATSA-N 1 0 489.624 4.468 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746172 720852129 /nfs/dbraw/zinc/85/21/29/720852129.db2.gz GGDRPSIYEWIJNH-QHWMMSMNSA-N 1 0 465.605 4.268 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749907 720852783 /nfs/dbraw/zinc/85/27/83/720852783.db2.gz OMPNGTUBBSAFBU-XKCSPQBFSA-N 1 0 499.997 4.313 20 0 JIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750236 720858398 /nfs/dbraw/zinc/85/83/98/720858398.db2.gz OXGYTWQXXLKQLG-NLWGTHIKSA-N 1 0 483.979 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164853031 720862623 /nfs/dbraw/zinc/86/26/23/720862623.db2.gz GFBACQKKIBHNON-CVDCTZTESA-N 1 0 452.986 4.124 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)CC[C@H]2C1 ZINC001164854104 720869106 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CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000145 722249914 /nfs/dbraw/zinc/24/99/14/722249914.db2.gz DXTCVSGNFPKYJF-GJZUVCINSA-N 1 0 452.599 4.123 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000147 722249998 /nfs/dbraw/zinc/24/99/98/722249998.db2.gz DXTCVSGNFPKYJF-NVQXNPDNSA-N 1 0 452.599 4.123 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CCC2 ZINC001165004013 722258118 /nfs/dbraw/zinc/25/81/18/722258118.db2.gz LILDYHQZVMBIKA-UHFFFAOYSA-N 1 0 467.992 4.234 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCC2 ZINC001165004294 722258144 /nfs/dbraw/zinc/25/81/44/722258144.db2.gz PVDSBXUYOBWDRR-UHFFFAOYSA-N 1 0 465.932 4.225 20 0 JIADRO Cc1nc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001354544313 1069319409 /nfs/dbraw/zinc/31/94/09/1069319409.db2.gz AEKMMIMFCBNXLS-FQEVSTJZSA-N 1 0 457.500 4.102 20 0 JIADRO 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CC(=O)Nc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001359403823 1069507538 /nfs/dbraw/zinc/50/75/38/1069507538.db2.gz VGOAIEDQTVCSCV-UHFFFAOYSA-N 1 0 463.630 4.033 20 0 JIADRO CC(=O)Nc1ccc(CCn2c(N3CC[C@@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001359404761 1069509893 /nfs/dbraw/zinc/50/98/93/1069509893.db2.gz YHRXXGQROLPTBW-QFIPXVFZSA-N 1 0 452.647 4.089 20 0 JIADRO CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001359408916 1069521580 /nfs/dbraw/zinc/52/15/80/1069521580.db2.gz DYZZCVMMZWURAL-NFBKMPQASA-N 1 0 452.647 4.499 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001359412055 1069530613 /nfs/dbraw/zinc/53/06/13/1069530613.db2.gz IAAGCZCFOWHDKI-UHFFFAOYSA-N 1 0 491.684 4.056 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359413481 1069534337 /nfs/dbraw/zinc/53/43/37/1069534337.db2.gz ABFFFUVZYWLTHM-KXTRFFEISA-N 1 0 498.672 4.256 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001359413831 1069536011 /nfs/dbraw/zinc/53/60/11/1069536011.db2.gz NULVLBKLVFTDHY-LXKSKSEUSA-N 1 0 484.664 4.014 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359414745 1069539809 /nfs/dbraw/zinc/53/98/09/1069539809.db2.gz XHAXQDBSKVKJQX-LSSDNNNWSA-N 1 0 494.728 4.315 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC(C)CC2)C1 ZINC001359417733 1069544185 /nfs/dbraw/zinc/54/41/85/1069544185.db2.gz DBYVPHJYCJTQMF-IBGZPJMESA-N 1 0 479.456 4.089 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359426374 1069552065 /nfs/dbraw/zinc/55/20/65/1069552065.db2.gz FOIMLNRGQYWHPN-XMMPIXPASA-N 1 0 480.701 4.468 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359426430 1069552086 /nfs/dbraw/zinc/55/20/86/1069552086.db2.gz HFKMVDIMAQSMFI-LJQANCHMSA-N 1 0 481.472 4.333 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359430400 1069555245 /nfs/dbraw/zinc/55/52/45/1069555245.db2.gz TVSZXNNAJAYQMY-NGOKVRLYSA-N 1 0 496.700 4.089 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359433165 1069559513 /nfs/dbraw/zinc/55/95/13/1069559513.db2.gz CGVGJCDVWGSIPU-HXUWFJFHSA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359438174 1069567198 /nfs/dbraw/zinc/56/71/98/1069567198.db2.gz VOPYEZGDRIPMQH-QPPBQGQZSA-N 1 0 480.701 4.040 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359440727 1069571951 /nfs/dbraw/zinc/57/19/51/1069571951.db2.gz JWRRIVGIWWFLFQ-IBGZPJMESA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359441199 1069573355 /nfs/dbraw/zinc/57/33/55/1069573355.db2.gz BGOYTGSOJFUORR-VXKWHMMOSA-N 1 0 480.701 4.364 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359444214 1069575979 /nfs/dbraw/zinc/57/59/79/1069575979.db2.gz CAFYYBKXIXYUQW-UHFFFAOYSA-N 1 0 498.741 4.496 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359463412 1069586487 /nfs/dbraw/zinc/58/64/87/1069586487.db2.gz KRWSTXRDVDFILN-OAQYLSRUSA-N 1 0 488.727 4.453 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359464478 1069592232 /nfs/dbraw/zinc/59/22/32/1069592232.db2.gz VEAFKSSZWSSNSO-HXUWFJFHSA-N 1 0 488.746 4.500 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359464646 1069592943 /nfs/dbraw/zinc/59/29/43/1069592943.db2.gz ZYFRCBDKQSUHSS-LJQANCHMSA-N 1 0 460.692 4.044 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001359505632 1069776576 /nfs/dbraw/zinc/77/65/76/1069776576.db2.gz KHBMKIIVDZUQEO-KRWDZBQOSA-N 1 0 451.537 4.429 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1CC[N@H+]1CC=CCC1 ZINC001359533374 1069825800 /nfs/dbraw/zinc/82/58/00/1069825800.db2.gz ZATLNZUOYXCJBO-UHFFFAOYSA-N 1 0 458.448 4.454 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001359534236 1069827191 /nfs/dbraw/zinc/82/71/91/1069827191.db2.gz QQXOWRHQRAUOCL-VWNXMTODSA-N 1 0 499.675 4.342 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(=O)NCCc1ccccc1 ZINC001359535722 1069829962 /nfs/dbraw/zinc/82/99/62/1069829962.db2.gz XMZYFSISGFQXCI-RUZDIDTESA-N 1 0 494.728 4.318 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359539026 1069835471 /nfs/dbraw/zinc/83/54/71/1069835471.db2.gz PIZGFYWMXDKWRW-UHFFFAOYSA-N 1 0 454.663 4.163 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359539310 1069836095 /nfs/dbraw/zinc/83/60/95/1069836095.db2.gz CDANCUDPVLUELW-NRFANRHFSA-N 1 0 474.694 4.331 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359541783 1069839598 /nfs/dbraw/zinc/83/95/98/1069839598.db2.gz IRNAXSWVKFIHGO-SFHVURJKSA-N 1 0 489.652 4.386 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359542246 1069840388 /nfs/dbraw/zinc/84/03/88/1069840388.db2.gz TXZDZFGIHVACHC-HXUWFJFHSA-N 1 0 465.564 4.083 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001359540998 1069838511 /nfs/dbraw/zinc/83/85/11/1069838511.db2.gz NBKPUVUTUINJSV-UHFFFAOYSA-N 1 0 489.089 4.420 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001300794136 1069844635 /nfs/dbraw/zinc/84/46/35/1069844635.db2.gz IHBKKLGIXYKZDI-PXNSSMCTSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[C@H]1C ZINC001300794573 1069846161 /nfs/dbraw/zinc/84/61/61/1069846161.db2.gz KYIKQGHWXZTHRD-FUHIMQAGSA-N 1 0 479.467 4.017 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001359546215 1069849536 /nfs/dbraw/zinc/84/95/36/1069849536.db2.gz VDCRXZCYXSXZSB-XMMPIXPASA-N 1 0 482.717 4.035 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001359546480 1069850332 /nfs/dbraw/zinc/85/03/32/1069850332.db2.gz GPABQKJXWSHDMJ-UHFFFAOYSA-N 1 0 484.636 4.264 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC(F)F)CC1 ZINC001359546420 1069850474 /nfs/dbraw/zinc/85/04/74/1069850474.db2.gz DUFHQLXIKMMTQU-UHFFFAOYSA-N 1 0 470.996 4.224 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 ZINC001359546897 1069851279 /nfs/dbraw/zinc/85/12/79/1069851279.db2.gz ULHLORDVKKPBIA-FQEVSTJZSA-N 1 0 477.053 4.205 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2cn[nH]c2)CC1 ZINC001359547783 1069853806 /nfs/dbraw/zinc/85/38/06/1069853806.db2.gz BTGGJYTYVSFFMZ-UHFFFAOYSA-N 1 0 490.425 4.123 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001359549058 1069856971 /nfs/dbraw/zinc/85/69/71/1069856971.db2.gz BDTRYALEWHWTRB-IBGZPJMESA-N 1 0 477.510 4.277 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001359547776 1069854010 /nfs/dbraw/zinc/85/40/10/1069854010.db2.gz BPALNEQAKMRABC-GOSISDBHSA-N 1 0 451.537 4.160 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCOC2)CC1 ZINC001359548356 1069855136 /nfs/dbraw/zinc/85/51/36/1069855136.db2.gz XMKVAULCWVLJFZ-OAHLLOKOSA-N 1 0 468.465 4.116 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001359548619 1069855646 /nfs/dbraw/zinc/85/56/46/1069855646.db2.gz JNHPKEGXRRPFEO-UHFFFAOYSA-N 1 0 466.674 4.028 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001359548716 1069856206 /nfs/dbraw/zinc/85/62/06/1069856206.db2.gz NMEJZTGJVRCBDQ-TZIWHRDSSA-N 1 0 476.065 4.372 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001359548922 1069856414 /nfs/dbraw/zinc/85/64/14/1069856414.db2.gz WCDJYUHCJDUFBI-IFMALSPDSA-N 1 0 460.066 4.384 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCCC2=O)CC1 ZINC001359548910 1069856444 /nfs/dbraw/zinc/85/64/44/1069856444.db2.gz VOBPIVZLYIBIJX-UHFFFAOYSA-N 1 0 484.664 4.111 20 0 JIADRO CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCC[NH+]2CCCC2)C1 ZINC001359554195 1069864697 /nfs/dbraw/zinc/86/46/97/1069864697.db2.gz CMFIMGAJFFMEQZ-HXUWFJFHSA-N 1 0 496.647 4.188 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359589415 1070025996 /nfs/dbraw/zinc/02/59/96/1070025996.db2.gz KTCUGLARBZIWJJ-QNPLBBOQSA-N 1 0 479.735 4.159 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC(C)(C)C(F)(F)F ZINC001359593279 1070036601 /nfs/dbraw/zinc/03/66/01/1070036601.db2.gz IGJBMEPADYVXKB-RCCFBDPRSA-N 1 0 457.585 4.460 20 0 JIADRO 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CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001359614103 1070081089 /nfs/dbraw/zinc/08/10/89/1070081089.db2.gz SLAAMKGPPHMXPM-UHFFFAOYSA-N 1 0 487.092 4.415 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCCC2)C1 ZINC001359619606 1070090807 /nfs/dbraw/zinc/09/08/07/1070090807.db2.gz APZTUMVDCUZFMC-HXUWFJFHSA-N 1 0 473.065 4.216 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359623776 1070105134 /nfs/dbraw/zinc/10/51/34/1070105134.db2.gz FLUPETJJOPTRPS-ACIOBRDBSA-N 1 0 482.673 4.000 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359624225 1070108499 /nfs/dbraw/zinc/10/84/99/1070108499.db2.gz SJMJLFPOAICEJK-OAQYLSRUSA-N 1 0 468.690 4.227 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCC2)C1 ZINC001359627609 1070128266 /nfs/dbraw/zinc/12/82/66/1070128266.db2.gz MMDQPNGBQMLSDM-LJQANCHMSA-N 1 0 491.055 4.212 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359627787 1070129655 /nfs/dbraw/zinc/12/96/55/1070129655.db2.gz QCMJVOJXBFXAEH-LJQANCHMSA-N 1 0 475.081 4.175 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001359634927 1070161089 /nfs/dbraw/zinc/16/10/89/1070161089.db2.gz JRLUCCTVQFQIHC-NRFANRHFSA-N 1 0 485.032 4.237 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001359634896 1070159922 /nfs/dbraw/zinc/15/99/22/1070159922.db2.gz IJZBCVUZUZTEQU-UHFFFAOYSA-N 1 0 468.690 4.325 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359635234 1070163257 /nfs/dbraw/zinc/16/32/57/1070163257.db2.gz VEPLAVXDLFQVEO-GOSISDBHSA-N 1 0 479.044 4.211 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(C2CCCC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359636595 1070166597 /nfs/dbraw/zinc/16/65/97/1070166597.db2.gz PTRBNVYDYZLUEJ-UHFFFAOYSA-N 1 0 466.674 4.178 20 0 JIADRO 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COc1ccc(Cn2c(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)nnc2C(C)(C)C)cc1O ZINC001315507394 1064427548 /nfs/dbraw/zinc/42/75/48/1064427548.db2.gz JTFHQMDCQZBLAV-PZJWPPBQSA-N 1 0 455.647 4.429 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315510971 1064442729 /nfs/dbraw/zinc/44/27/29/1064442729.db2.gz QADOMCJEPCUSRO-RBUKOAKNSA-N 1 0 462.038 4.345 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315510563 1064442760 /nfs/dbraw/zinc/44/27/60/1064442760.db2.gz NHRZBOYIBSJZQA-RTBURBONSA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315511021 1064444218 /nfs/dbraw/zinc/44/42/18/1064444218.db2.gz HXSUGKKBLMIZPZ-SFHVURJKSA-N 1 0 473.021 4.073 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315513240 1064454306 /nfs/dbraw/zinc/45/43/06/1064454306.db2.gz SRSOPTVLKDQEEU-KDURUIRLSA-N 1 0 485.032 4.138 20 0 JIADRO COc1ccc(OC)c(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001315517473 1064470470 /nfs/dbraw/zinc/47/04/70/1064470470.db2.gz XWQBMBUOODSHRN-JOCHJYFZSA-N 1 0 499.700 4.065 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315518264 1064473156 /nfs/dbraw/zinc/47/31/56/1064473156.db2.gz ARFSTTSFGBIWDP-NRFANRHFSA-N 1 0 478.641 4.051 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](C)c2nccs2)cc1 ZINC001315530831 1064514977 /nfs/dbraw/zinc/51/49/77/1064514977.db2.gz NCHVKRKHQAUXIM-LJQANCHMSA-N 1 0 484.670 4.437 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001315532347 1064519431 /nfs/dbraw/zinc/51/94/31/1064519431.db2.gz HDXQYIUKDUVXKS-MSOLQXFVSA-N 1 0 467.536 4.129 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001315532713 1064520213 /nfs/dbraw/zinc/52/02/13/1064520213.db2.gz KAJBHKYDNBCSDX-ZLNRFVROSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315533499 1064521288 /nfs/dbraw/zinc/52/12/88/1064521288.db2.gz PEUKQSBBALXNEM-SZPZYZBQSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315537031 1064529766 /nfs/dbraw/zinc/52/97/66/1064529766.db2.gz ZWDBVVWIZAYYLQ-PMACEKPBSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(C(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001315540579 1064536604 /nfs/dbraw/zinc/53/66/04/1064536604.db2.gz GPPBZTNRKROCNV-UHFFFAOYSA-N 1 0 464.614 4.237 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001315540972 1064538110 /nfs/dbraw/zinc/53/81/10/1064538110.db2.gz NRGWVTCQGIHLBW-IDISGSTGSA-N 1 0 478.641 4.374 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@H]3[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001315544125 1064545849 /nfs/dbraw/zinc/54/58/49/1064545849.db2.gz AJZLAVDFGWGLRT-SKPFHBQLSA-N 1 0 498.672 4.124 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CCc3csc(C(C)(C)C)n3)CC2)c1 ZINC001315544701 1064548108 /nfs/dbraw/zinc/54/81/08/1064548108.db2.gz HKPSIADWYABIGF-SFHVURJKSA-N 1 0 468.671 4.475 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545097 1064548990 /nfs/dbraw/zinc/54/89/90/1064548990.db2.gz KZYJWKYXXPHZFP-QHCPKHFHSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCS[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315545962 1064552582 /nfs/dbraw/zinc/55/25/82/1064552582.db2.gz FKYNKECJEASMIA-ZRBLBEILSA-N 1 0 473.687 4.409 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315546236 1064553373 /nfs/dbraw/zinc/55/33/73/1064553373.db2.gz SCWIAAQZVPZVTL-RUZDIDTESA-N 1 0 496.700 4.330 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](SC)C(C)(C)C)CC2)c1 ZINC001315546408 1064553418 /nfs/dbraw/zinc/55/34/18/1064553418.db2.gz UTGHRFABBDZMNL-CVDCTZTESA-N 1 0 497.713 4.348 20 0 JIADRO 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JIADRO COc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558627 1064581415 /nfs/dbraw/zinc/58/14/15/1064581415.db2.gz CNYWEVPFMOHXQC-RBBKRZOGSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001315558733 1064582236 /nfs/dbraw/zinc/58/22/36/1064582236.db2.gz GFXXMGMATSKXAS-UHFFFAOYSA-N 1 0 463.573 4.079 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315558952 1064583053 /nfs/dbraw/zinc/58/30/53/1064583053.db2.gz BLJQGTDMYMKCJX-SFTDATJTSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCOCCC(C)C)c1 ZINC001315559049 1064583254 /nfs/dbraw/zinc/58/32/54/1064583254.db2.gz NUBCHLGAYVGUIR-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315559111 1064583352 /nfs/dbraw/zinc/58/33/52/1064583352.db2.gz NWNBSQNTSYGFGC-UHFFFAOYSA-N 1 0 482.673 4.054 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001315563211 1064591099 /nfs/dbraw/zinc/59/10/99/1064591099.db2.gz MQNCOGLEMKBHFB-UHFFFAOYSA-N 1 0 494.606 4.149 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315563529 1064591576 /nfs/dbraw/zinc/59/15/76/1064591576.db2.gz BYTZHALCKIDTNM-RTWAWAEBSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315564472 1064594027 /nfs/dbraw/zinc/59/40/27/1064594027.db2.gz LOLDGDRAZWXCMN-JOCHJYFZSA-N 1 0 496.681 4.013 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315566170 1064597670 /nfs/dbraw/zinc/59/76/70/1064597670.db2.gz MTLDEHWGIAYIMI-OEMYIYORSA-N 1 0 495.590 4.476 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001315566772 1064599454 /nfs/dbraw/zinc/59/94/54/1064599454.db2.gz IMAJDFSBJLOYJT-OFNKIYASSA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001315570195 1064611175 /nfs/dbraw/zinc/61/11/75/1064611175.db2.gz HLZRPSZGRWCSIJ-BJKOFHAPSA-N 1 0 496.700 4.160 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001315570931 1064614329 /nfs/dbraw/zinc/61/43/29/1064614329.db2.gz MBRNEVNVQTVLGP-ZEQRLZLVSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315572157 1064619001 /nfs/dbraw/zinc/61/90/01/1064619001.db2.gz SJKBCTJSXQQQSQ-HYBUGGRVSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)C(C)C)c1 ZINC001315573181 1064623249 /nfs/dbraw/zinc/62/32/49/1064623249.db2.gz XDIVGOQAPXNPIM-YADARESESA-N 1 0 465.646 4.076 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001315578239 1064639391 /nfs/dbraw/zinc/63/93/91/1064639391.db2.gz UBJZDXKYRRIHSA-RCZVLFRGSA-N 1 0 473.687 4.033 20 0 JIADRO 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COc1ccccc1[C@@H](Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315591273 1064680376 /nfs/dbraw/zinc/68/03/76/1064680376.db2.gz KLAYXIRORHBLRZ-PZJWPPBQSA-N 1 0 455.647 4.425 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CC(F)(F)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315593268 1064687378 /nfs/dbraw/zinc/68/73/78/1064687378.db2.gz APFMXSZZRXBLBK-UHFFFAOYSA-N 1 0 465.614 4.263 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[NH+](C(C)C)C(C)C ZINC001315593641 1064688232 /nfs/dbraw/zinc/68/82/32/1064688232.db2.gz JLSGAYCJXLCMGP-UHFFFAOYSA-N 1 0 460.026 4.096 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315593776 1064689159 /nfs/dbraw/zinc/68/91/59/1064689159.db2.gz NGHMUVVGOBCGTB-IBGZPJMESA-N 1 0 454.644 4.210 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCCc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315594962 1064692466 /nfs/dbraw/zinc/69/24/66/1064692466.db2.gz WOJYZJURFAVBCI-FGZHOGPDSA-N 1 0 492.668 4.306 20 0 JIADRO 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COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315603423 1064714890 /nfs/dbraw/zinc/71/48/90/1064714890.db2.gz DKFYZPXYRLJQET-QFQXNSOFSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315604607 1064717441 /nfs/dbraw/zinc/71/74/41/1064717441.db2.gz PBLARLNESUYPSN-ATIYNZHBSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001315605660 1064720130 /nfs/dbraw/zinc/72/01/30/1064720130.db2.gz WUUDJINSWCJREF-AREMUKBSSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001315605766 1064720661 /nfs/dbraw/zinc/72/06/61/1064720661.db2.gz WEFBXNDSDREGKD-HXUWFJFHSA-N 1 0 498.672 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001315608255 1064726751 /nfs/dbraw/zinc/72/67/51/1064726751.db2.gz WDPWNRRFZYVNIW-SIKLNZKXSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCC(C)(F)F ZINC001315608412 1064727321 /nfs/dbraw/zinc/72/73/21/1064727321.db2.gz XDZDDBGBLAICHB-UHFFFAOYSA-N 1 0 461.582 4.425 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315612368 1064733672 /nfs/dbraw/zinc/73/36/72/1064733672.db2.gz HXSDCWCCXBMNSI-SQJMNOBHSA-N 1 0 499.700 4.485 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315612445 1064733716 /nfs/dbraw/zinc/73/37/16/1064733716.db2.gz YAUIXBIOEIKSCB-PMACEKPBSA-N 1 0 482.654 4.131 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315620212 1064753577 /nfs/dbraw/zinc/75/35/77/1064753577.db2.gz IBXAJRXHFOEXAV-HXUWFJFHSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315622387 1064758902 /nfs/dbraw/zinc/75/89/02/1064758902.db2.gz YYXOWCBDBSIJTP-YSFYHYPLSA-N 1 0 469.674 4.390 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315637970 1064796199 /nfs/dbraw/zinc/79/61/99/1064796199.db2.gz WGXAACVKDMLJAK-OYRHEFFESA-N 1 0 463.630 4.138 20 0 JIADRO COc1ccccc1N1CC[C@H](Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001315642356 1064806234 /nfs/dbraw/zinc/80/62/34/1064806234.db2.gz BVPUBDMGNWMZEA-QHCPKHFHSA-N 1 0 468.690 4.493 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315642909 1064808295 /nfs/dbraw/zinc/80/82/95/1064808295.db2.gz KEOJOYBADCCMME-HSZRJFAPSA-N 1 0 454.663 4.247 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315650212 1064828062 /nfs/dbraw/zinc/82/80/62/1064828062.db2.gz PMZJFXFJMQPYAH-QFIPXVFZSA-N 1 0 492.668 4.298 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315651128 1064831317 /nfs/dbraw/zinc/83/13/17/1064831317.db2.gz SUZSYWDLOFZVSK-REWPJTCUSA-N 1 0 471.646 4.164 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315654732 1064842227 /nfs/dbraw/zinc/84/22/27/1064842227.db2.gz IOCOWTWXRHFRAW-QFQXNSOFSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@H+](C)C(C)C ZINC001315662299 1064864763 /nfs/dbraw/zinc/86/47/63/1064864763.db2.gz OANMGFDBLXWIRT-LJQANCHMSA-N 1 0 461.676 4.313 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)C(C)C ZINC001315663730 1064871562 /nfs/dbraw/zinc/87/15/62/1064871562.db2.gz KEBQKUQHOVKWJQ-HFZDXXHNSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@H]1CCCCO1 ZINC001315664457 1064875197 /nfs/dbraw/zinc/87/51/97/1064875197.db2.gz KLMHNDBLWNHDIP-OAQYLSRUSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315666929 1064885192 /nfs/dbraw/zinc/88/51/92/1064885192.db2.gz AROVCPFUSGOQED-MOPGFXCFSA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001315668804 1064893290 /nfs/dbraw/zinc/89/32/90/1064893290.db2.gz RIQHSVGJUXHPKX-OAQYLSRUSA-N 1 0 461.676 4.171 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](OC)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315670484 1064899648 /nfs/dbraw/zinc/89/96/48/1064899648.db2.gz STQUQJXLMVWWEU-SFTDATJTSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315672351 1064903254 /nfs/dbraw/zinc/90/32/54/1064903254.db2.gz OZALREJFRPPCFX-NRFANRHFSA-N 1 0 462.642 4.419 20 0 JIADRO COC1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001315682568 1064929064 /nfs/dbraw/zinc/92/90/64/1064929064.db2.gz MRJSTHWABMILFO-UHFFFAOYSA-N 1 0 474.738 4.067 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315690781 1064946649 /nfs/dbraw/zinc/94/66/49/1064946649.db2.gz GUWVIUOWZBOIAR-VQTJNVASSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315692322 1064950140 /nfs/dbraw/zinc/95/01/40/1064950140.db2.gz MGRBAIZCQNVTKZ-FQEVSTJZSA-N 1 0 493.494 4.318 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001315702717 1064966992 /nfs/dbraw/zinc/96/69/92/1064966992.db2.gz DJFAHWDJAORVII-GOSISDBHSA-N 1 0 454.644 4.488 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001315703334 1064968164 /nfs/dbraw/zinc/96/81/64/1064968164.db2.gz JQNYIYAZXRDDRN-UHFFFAOYSA-N 1 0 470.568 4.144 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001315704388 1064970550 /nfs/dbraw/zinc/97/05/50/1064970550.db2.gz HRZUREPJAZVNEY-OAQYLSRUSA-N 1 0 454.663 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccoc2)CC1 ZINC001315705579 1064975048 /nfs/dbraw/zinc/97/50/48/1064975048.db2.gz QGHQEAFKZQNAJX-UHFFFAOYSA-N 1 0 455.578 4.127 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001315706707 1064978746 /nfs/dbraw/zinc/97/87/46/1064978746.db2.gz WFGJIBFJWLBHPY-RBUKOAKNSA-N 1 0 491.677 4.216 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001315706762 1064979298 /nfs/dbraw/zinc/97/92/98/1064979298.db2.gz YLBAFRIAAXALSV-QHCPKHFHSA-N 1 0 499.700 4.485 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001315706974 1064979882 /nfs/dbraw/zinc/97/98/82/1064979882.db2.gz ZNUAWKSOIYETRN-JOCHJYFZSA-N 1 0 499.700 4.367 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+](C(C)C)C(C)C)CC[C@H]1C ZINC001315712207 1064993073 /nfs/dbraw/zinc/99/30/73/1064993073.db2.gz JQFZENUKNRKWOI-WIYYLYMNSA-N 1 0 495.510 4.416 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315712951 1064996322 /nfs/dbraw/zinc/99/63/22/1064996322.db2.gz MIZACMJDELOHTC-PXNSSMCTSA-N 1 0 493.494 4.028 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC[C@H]1C ZINC001315713705 1064999775 /nfs/dbraw/zinc/99/97/75/1064999775.db2.gz CORXVGMOZCRVCV-NQHRYMMQSA-N 1 0 483.701 4.341 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001315713713 1065000361 /nfs/dbraw/zinc/00/03/61/1065000361.db2.gz CPSMPFSCJTZFSE-WIYYLYMNSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@H+](C)C(C)C)CC1(C)C ZINC001315715288 1065004571 /nfs/dbraw/zinc/00/45/71/1065004571.db2.gz KPHXMLGFNMOOAZ-IBGZPJMESA-N 1 0 482.442 4.438 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315715960 1065006022 /nfs/dbraw/zinc/00/60/22/1065006022.db2.gz MKWZNNROMAJNIF-UEXGIBASSA-N 1 0 476.065 4.348 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC[C@H]1C ZINC001315717535 1065009912 /nfs/dbraw/zinc/00/99/12/1065009912.db2.gz JHVXBJJVEUSDOW-YKSBVNFPSA-N 1 0 452.647 4.417 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@H]1C ZINC001315717901 1065010366 /nfs/dbraw/zinc/01/03/66/1065010366.db2.gz HJVSBDBNXWXKIU-HYBUGGRVSA-N 1 0 454.663 4.268 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001315728429 1065024548 /nfs/dbraw/zinc/02/45/48/1065024548.db2.gz HCHQKWKRMRRJEU-URXFXBBRSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315728689 1065025068 /nfs/dbraw/zinc/02/50/68/1065025068.db2.gz LDIHIOLOVUKHBR-NHCUHLMSSA-N 1 0 457.619 4.234 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1(C)C ZINC001315730079 1065027388 /nfs/dbraw/zinc/02/73/88/1065027388.db2.gz HKERRBVOZPJFAE-DNQXCXABSA-N 1 0 453.675 4.435 20 0 JIADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315745145 1065055488 /nfs/dbraw/zinc/05/54/88/1065055488.db2.gz WNBCGYHOBVNVJO-YUMYIRISSA-N 1 0 461.695 4.178 20 0 JIADRO 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CSC1(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316406340 1066189449 /nfs/dbraw/zinc/18/94/49/1066189449.db2.gz LQUTYQCEZVFCPP-NVXWUHKLSA-N 1 0 468.593 4.111 20 0 JIADRO CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC[NH+](C)CC1 ZINC001316410012 1066197240 /nfs/dbraw/zinc/19/72/40/1066197240.db2.gz QNSNPCZAZBCMDW-UHFFFAOYSA-N 1 0 480.682 4.333 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)CC2CCCCC2)CC[NH+](C)CC1 ZINC001316411485 1066200330 /nfs/dbraw/zinc/20/03/30/1066200330.db2.gz PVKGSUVDXGAVEN-UHFFFAOYSA-N 1 0 462.733 4.478 20 0 JIADRO CSC1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316411606 1066200931 /nfs/dbraw/zinc/20/09/31/1066200931.db2.gz QEXPCHRWPLXJLZ-AQNXPRMDSA-N 1 0 492.734 4.113 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001316419474 1066221843 /nfs/dbraw/zinc/22/18/43/1066221843.db2.gz HWYZDPDNYLAKEQ-UHFFFAOYSA-N 1 0 453.660 4.159 20 0 JIADRO 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CSC[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316440036 1066297983 /nfs/dbraw/zinc/29/79/83/1066297983.db2.gz SQAFFXZRDLXBKY-RZUBCFFCSA-N 1 0 456.704 4.352 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001326469172 1066298861 /nfs/dbraw/zinc/29/88/61/1066298861.db2.gz CRDARPYLFXQOMW-UHFFFAOYSA-N 1 0 464.532 4.244 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H]3COc4ccccc4O3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492502008 1066300354 /nfs/dbraw/zinc/30/03/54/1066300354.db2.gz GGESQSKSBSLGQM-QFIPXVFZSA-N 1 0 478.641 4.434 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316442731 1066305831 /nfs/dbraw/zinc/30/58/31/1066305831.db2.gz ULTATROZWCHSGN-FQEVSTJZSA-N 1 0 461.651 4.450 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316443859 1066309390 /nfs/dbraw/zinc/30/93/90/1066309390.db2.gz IHSSISLSZDWEJT-ROUUACIJSA-N 1 0 452.068 4.145 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316444701 1066311125 /nfs/dbraw/zinc/31/11/25/1066311125.db2.gz BLPQKRTXPXBNJS-VQTJNVASSA-N 1 0 497.717 4.009 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001492503170 1066312783 /nfs/dbraw/zinc/31/27/83/1066312783.db2.gz XHWUAHJUCYFTME-UHFFFAOYSA-N 1 0 466.605 4.173 20 0 JIADRO CCOc1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001327213096 1066313409 /nfs/dbraw/zinc/31/34/09/1066313409.db2.gz NCFPWTPGPIRKFT-VWLOTQADSA-N 1 0 487.600 4.497 20 0 JIADRO COc1cccc2cc(C[NH2+]Cc3cc(I)c(OC)c(OC)c3)oc21 ZINC001327212336 1066313953 /nfs/dbraw/zinc/31/39/53/1066313953.db2.gz GBESVDAUGZRQHY-UHFFFAOYSA-N 1 0 453.276 4.353 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316447773 1066322561 /nfs/dbraw/zinc/32/25/61/1066322561.db2.gz REOKBTHFWAVTDS-WOJBJXKFSA-N 1 0 473.687 4.415 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316448863 1066324790 /nfs/dbraw/zinc/32/47/90/1066324790.db2.gz FYKJRRYZQAHHTM-YDHSSHFGSA-N 1 0 490.743 4.123 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492506443 1066326808 /nfs/dbraw/zinc/32/68/08/1066326808.db2.gz OIHLPLPWGRFYKR-RUZDIDTESA-N 1 0 495.716 4.242 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492506675 1066327660 /nfs/dbraw/zinc/32/76/60/1066327660.db2.gz LNMADJLPFVLNJV-DENIHFKCSA-N 1 0 485.677 4.117 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492509994 1066339900 /nfs/dbraw/zinc/33/99/00/1066339900.db2.gz DNUQEDSMVRUKPF-UHFFFAOYSA-N 1 0 490.578 4.436 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492510931 1066342825 /nfs/dbraw/zinc/34/28/25/1066342825.db2.gz HQVYYDMFWVYECF-NRFANRHFSA-N 1 0 454.644 4.407 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492511755 1066347802 /nfs/dbraw/zinc/34/78/02/1066347802.db2.gz INOXRQGJRGHKAX-NRFANRHFSA-N 1 0 497.688 4.264 20 0 JIADRO CSCCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001316459133 1066351356 /nfs/dbraw/zinc/35/13/56/1066351356.db2.gz PNPQQKZREJISOQ-UHFFFAOYSA-N 1 0 456.704 4.083 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492514214 1066354401 /nfs/dbraw/zinc/35/44/01/1066354401.db2.gz LLROIISKYOBECI-PMACEKPBSA-N 1 0 480.579 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001492514807 1066357198 /nfs/dbraw/zinc/35/71/98/1066357198.db2.gz VJYWUOWUNLGIGM-NHCUHLMSSA-N 1 0 497.688 4.215 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001331299329 1066357755 /nfs/dbraw/zinc/35/77/55/1066357755.db2.gz GAVWYLMBXDKQKD-FQEVSTJZSA-N 1 0 478.456 4.456 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492515993 1066363304 /nfs/dbraw/zinc/36/33/04/1066363304.db2.gz MOGQXPWZRCEQCE-ILWGZMRPSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@](C)(O)c2ccccc2Cl)n1 ZINC001492516809 1066366348 /nfs/dbraw/zinc/36/63/48/1066366348.db2.gz XUCFFTLFPLWUNH-VWLOTQADSA-N 1 0 469.033 4.130 20 0 JIADRO CSCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316467107 1066371434 /nfs/dbraw/zinc/37/14/34/1066371434.db2.gz SDKVYPRHFYHUAG-BGYRXZFFSA-N 1 0 480.723 4.113 20 0 JIADRO CSCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCCC1 ZINC001316467273 1066371471 /nfs/dbraw/zinc/37/14/71/1066371471.db2.gz DGUCWBCGNDTMIN-UHFFFAOYSA-N 1 0 497.713 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC001332638238 1066378409 /nfs/dbraw/zinc/37/84/09/1066378409.db2.gz CVTYMAOIBSDJAL-DHIUTWEWSA-N 1 0 462.642 4.415 20 0 JIADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854135 1066380136 /nfs/dbraw/zinc/38/01/36/1066380136.db2.gz VCCOZSSWCXTTAK-REWPJTCUSA-N 1 0 478.662 4.013 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492518704 1066380497 /nfs/dbraw/zinc/38/04/97/1066380497.db2.gz OAMJSPUQJNTBRJ-HKUYNNGSSA-N 1 0 493.603 4.086 20 0 JIADRO CSCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316475054 1066385147 /nfs/dbraw/zinc/38/51/47/1066385147.db2.gz NEOYVNIZAMAASW-UHFFFAOYSA-N 1 0 452.466 4.381 20 0 JIADRO CSCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316475244 1066385869 /nfs/dbraw/zinc/38/58/69/1066385869.db2.gz ANAGVIODUPIBNU-UHFFFAOYSA-N 1 0 459.660 4.187 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@@H](C)C3)C2)c1 ZINC001492523304 1066394211 /nfs/dbraw/zinc/39/42/11/1066394211.db2.gz NNVCZJZYGGNCDD-CIXCFARBSA-N 1 0 466.674 4.229 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccccc1Br ZINC001316492638 1066432579 /nfs/dbraw/zinc/43/25/79/1066432579.db2.gz OUCPEAHSBHTYFQ-QGZVFWFLSA-N 1 0 476.463 4.076 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 ZINC001316497033 1066447588 /nfs/dbraw/zinc/44/75/88/1066447588.db2.gz OFUXVDNLBHAAQQ-GOSISDBHSA-N 1 0 469.584 4.353 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br ZINC001316497061 1066448784 /nfs/dbraw/zinc/44/87/84/1066448784.db2.gz OKVLCDFRDSUSHK-AEFFLSMTSA-N 1 0 484.389 4.218 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001316497787 1066451418 /nfs/dbraw/zinc/45/14/18/1066451418.db2.gz UWPQHAPTKGQYSC-LJQANCHMSA-N 1 0 468.646 4.170 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316498778 1066455345 /nfs/dbraw/zinc/45/53/45/1066455345.db2.gz DMMGODHLURCWGI-NZGUISNBSA-N 1 0 465.564 4.342 20 0 JIADRO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316499546 1066457859 /nfs/dbraw/zinc/45/78/59/1066457859.db2.gz ZDRITWKXAYUPPV-SFTDATJTSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H](C)C1(F)F ZINC001316500134 1066459419 /nfs/dbraw/zinc/45/94/19/1066459419.db2.gz CLELYSSLAAADLP-FUPPJEDESA-N 1 0 475.628 4.028 20 0 JIADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)CCN1C(=O)OC(C)(C)C ZINC001316501147 1066461921 /nfs/dbraw/zinc/46/19/21/1066461921.db2.gz PAJPEUVPEYUKSW-FPOVZHCZSA-N 1 0 474.694 4.329 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1CCCC1 ZINC001316504555 1066475960 /nfs/dbraw/zinc/47/59/60/1066475960.db2.gz FVIKXVBXIUGMQC-KRWDZBQOSA-N 1 0 462.436 4.197 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316505566 1066479603 /nfs/dbraw/zinc/47/96/03/1066479603.db2.gz TXADILFAZAWKMT-DOTOQJQBSA-N 1 0 461.035 4.362 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316505937 1066480895 /nfs/dbraw/zinc/48/08/95/1066480895.db2.gz ZYMPDKQRWHLKIV-MAUKXSAKSA-N 1 0 479.467 4.160 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)CC2)cc1 ZINC001337476615 1066485371 /nfs/dbraw/zinc/48/53/71/1066485371.db2.gz XBAVHFBZIZJFBQ-UHFFFAOYSA-N 1 0 450.533 4.296 20 0 JIADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)C1 ZINC001316508966 1066490393 /nfs/dbraw/zinc/49/03/93/1066490393.db2.gz PHIMIJNHGRSGON-UHFFFAOYSA-N 1 0 490.496 4.461 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001337593070 1066496880 /nfs/dbraw/zinc/49/68/80/1066496880.db2.gz DTSGYSMLDSAVBB-UHFFFAOYSA-N 1 0 474.630 4.129 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001316514279 1066505399 /nfs/dbraw/zinc/50/53/99/1066505399.db2.gz GWZJAGRCCNPMDY-KRWDZBQOSA-N 1 0 465.511 4.072 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1cccc(Br)c1 ZINC001337811372 1066513512 /nfs/dbraw/zinc/51/35/12/1066513512.db2.gz ABWWKYMAYSLPCO-UHFFFAOYSA-N 1 0 483.410 4.292 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC001337910942 1066519301 /nfs/dbraw/zinc/51/93/01/1066519301.db2.gz CFRBTHAPKNYGJM-OAQYLSRUSA-N 1 0 461.566 4.083 20 0 JIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001338459877 1066557577 /nfs/dbraw/zinc/55/75/77/1066557577.db2.gz ISZNWOQMPOJJGX-HXUWFJFHSA-N 1 0 463.651 4.426 20 0 JIADRO Cc1csc(SCc2ccccc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)n1 ZINC001338559229 1066563923 /nfs/dbraw/zinc/56/39/23/1066563923.db2.gz ZKEPHFJZHSJJDI-UHFFFAOYSA-N 1 0 452.649 4.426 20 0 JIADRO NC(=O)C[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316547188 1066564651 /nfs/dbraw/zinc/56/46/51/1066564651.db2.gz QSCOXCDTWGADND-HXUWFJFHSA-N 1 0 473.065 4.347 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001338708565 1066567711 /nfs/dbraw/zinc/56/77/11/1066567711.db2.gz FCMIJRJCISJVMQ-GOSISDBHSA-N 1 0 473.415 4.233 20 0 JIADRO Cc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001492533642 1066577953 /nfs/dbraw/zinc/57/79/53/1066577953.db2.gz XKLZCFYLNOAPEY-UHFFFAOYSA-N 1 0 457.420 4.170 20 0 JIADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492534670 1066581836 /nfs/dbraw/zinc/58/18/36/1066581836.db2.gz JUARNMXCGCGKDF-UHFFFAOYSA-N 1 0 463.674 4.453 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)c1 ZINC001492534852 1066582456 /nfs/dbraw/zinc/58/24/56/1066582456.db2.gz QBZVAFVFLZVEFF-UHFFFAOYSA-N 1 0 484.689 4.411 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)CC2)c1 ZINC001492534744 1066583005 /nfs/dbraw/zinc/58/30/05/1066583005.db2.gz MJVMXBNFJSFEGJ-UHFFFAOYSA-N 1 0 490.599 4.190 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(Cc4cccnc4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C ZINC001492535920 1066586732 /nfs/dbraw/zinc/58/67/32/1066586732.db2.gz CMYJBZYLZQKEBS-UHFFFAOYSA-N 1 0 475.685 4.326 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536754 1066591409 /nfs/dbraw/zinc/59/14/09/1066591409.db2.gz HORYYQIVRYJKSL-GOTSBHOMSA-N 1 0 468.690 4.365 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492536960 1066592857 /nfs/dbraw/zinc/59/28/57/1066592857.db2.gz MDFMYDCJCLLZHT-PFATUAPWSA-N 1 0 496.700 4.123 20 0 JIADRO OC1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001316584004 1066602899 /nfs/dbraw/zinc/60/28/99/1066602899.db2.gz AWNAIWNKVOVEHE-UHFFFAOYSA-N 1 0 483.554 4.024 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492538691 1066614070 /nfs/dbraw/zinc/61/40/70/1066614070.db2.gz OEQGMMXJJFXGNC-QFIPXVFZSA-N 1 0 477.600 4.004 20 0 JIADRO OCCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316590451 1066619444 /nfs/dbraw/zinc/61/94/44/1066619444.db2.gz PWMKFCURFQFALX-OAQYLSRUSA-N 1 0 476.065 4.090 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001316590695 1066620037 /nfs/dbraw/zinc/62/00/37/1066620037.db2.gz UJRSFRUJEYLTJV-FQEVSTJZSA-N 1 0 457.585 4.026 20 0 JIADRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC001474663897 1066628131 /nfs/dbraw/zinc/62/81/31/1066628131.db2.gz UDHAPHLZTLCUBZ-LJQANCHMSA-N 1 0 450.320 4.231 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001492540923 1066637205 /nfs/dbraw/zinc/63/72/05/1066637205.db2.gz BPQWVFQDYGLOJW-HSZRJFAPSA-N 1 0 482.717 4.312 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542052 1066651888 /nfs/dbraw/zinc/65/18/88/1066651888.db2.gz KSEMWCOBOGJMDA-FCHUYYIVSA-N 1 0 498.672 4.095 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C(=O)c4cccs4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001492542066 1066653432 /nfs/dbraw/zinc/65/34/32/1066653432.db2.gz KXLBMIOXLQNYMG-LJQANCHMSA-N 1 0 467.639 4.276 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001492542381 1066657236 /nfs/dbraw/zinc/65/72/36/1066657236.db2.gz NAHBHMZWEQYWDY-UFPGJGBJSA-N 1 0 455.647 4.026 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 ZINC001317742030 1066660390 /nfs/dbraw/zinc/66/03/90/1066660390.db2.gz VXYLYKZXLSMLRE-LJQANCHMSA-N 1 0 478.662 4.497 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492542797 1066661665 /nfs/dbraw/zinc/66/16/65/1066661665.db2.gz TYDQEEGXUYQPDD-DSKINZAPSA-N 1 0 493.530 4.217 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CO)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492543421 1066668011 /nfs/dbraw/zinc/66/80/11/1066668011.db2.gz LHONBBPXYHZIKX-GOTSBHOMSA-N 1 0 469.674 4.132 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492543832 1066675617 /nfs/dbraw/zinc/67/56/17/1066675617.db2.gz ZGKVMMUCINBUJL-QHCPKHFHSA-N 1 0 496.700 4.027 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001492544449 1066681581 /nfs/dbraw/zinc/68/15/81/1066681581.db2.gz PDUVFXUPDPPADL-IBGZPJMESA-N 1 0 474.447 4.386 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cc(F)c(OCc4ccccc4)c(F)c3)c2)CC1 ZINC001347683267 1066684155 /nfs/dbraw/zinc/68/41/55/1066684155.db2.gz PJPJAGIESIMBDW-UHFFFAOYSA-N 1 0 479.527 4.493 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)c2)n1 ZINC001317841397 1066724486 /nfs/dbraw/zinc/72/44/86/1066724486.db2.gz VQXZWARQIYZZIV-UHFFFAOYSA-N 1 0 461.566 4.097 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC001348170780 1066725198 /nfs/dbraw/zinc/72/51/98/1066725198.db2.gz GBWTUNJUKQVWOS-UHFFFAOYSA-N 1 0 458.404 4.459 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)nc(Br)c1)c1ccccc1 ZINC001348429884 1066743721 /nfs/dbraw/zinc/74/37/21/1066743721.db2.gz WRHUMSCBDKVKJR-OAHLLOKOSA-N 1 0 455.194 4.420 20 0 JIADRO CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476133 1066748399 /nfs/dbraw/zinc/74/83/99/1066748399.db2.gz LWNKQZOIFDRCBF-XMSQKQJNSA-N 1 0 463.603 4.309 20 0 JIADRO COc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1Br ZINC001317883531 1066753261 /nfs/dbraw/zinc/75/32/61/1066753261.db2.gz OHDFXXCHWRYQRN-MRXNPFEDSA-N 1 0 461.404 4.401 20 0 JIADRO Cc1cc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317884094 1066753422 /nfs/dbraw/zinc/75/34/22/1066753422.db2.gz RXSQBWNRKSCZHT-UHFFFAOYSA-N 1 0 475.559 4.115 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)cc2)CC1 ZINC001348582251 1066758791 /nfs/dbraw/zinc/75/87/91/1066758791.db2.gz IBOYEPJGMXBOGC-JOCHJYFZSA-N 1 0 456.631 4.194 20 0 JIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001317889902 1066759329 /nfs/dbraw/zinc/75/93/29/1066759329.db2.gz VKMBCYQMDLGMPR-OALUTQOASA-N 1 0 490.570 4.413 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCC(c4nc5ccccc5o4)CC3)CC2)c1 ZINC001317890955 1066760599 /nfs/dbraw/zinc/76/05/99/1066760599.db2.gz JSDGOEOZNNYELW-UHFFFAOYSA-N 1 0 461.610 4.238 20 0 JIADRO Cc1cc(NC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)ccc1N1CC[NH+](C)CC1 ZINC001317896594 1066766823 /nfs/dbraw/zinc/76/68/23/1066766823.db2.gz BTAMTVRAUQLRLB-INIZCTEOSA-N 1 0 489.414 4.163 20 0 JIADRO Cc1cc(NC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)ccc1N1CC[NH+](C)CC1 ZINC001317896595 1066766915 /nfs/dbraw/zinc/76/69/15/1066766915.db2.gz BTAMTVRAUQLRLB-MRXNPFEDSA-N 1 0 489.414 4.163 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546034 1066767317 /nfs/dbraw/zinc/76/73/17/1066767317.db2.gz RBOWCFRAJDUPCX-GOTSBHOMSA-N 1 0 469.674 4.396 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001317898919 1066769124 /nfs/dbraw/zinc/76/91/24/1066769124.db2.gz IAKLUONSWNDPRM-QFIPXVFZSA-N 1 0 486.682 4.004 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001317898918 1066769301 /nfs/dbraw/zinc/76/93/01/1066769301.db2.gz IAKLUONSWNDPRM-JOCHJYFZSA-N 1 0 486.682 4.004 20 0 JIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001317989130 1066835248 /nfs/dbraw/zinc/83/52/48/1066835248.db2.gz FMNFTWQCBTZQKA-GJZGRUSLSA-N 1 0 451.384 4.260 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 ZINC001318030304 1066860078 /nfs/dbraw/zinc/86/00/78/1066860078.db2.gz QGTQBYUWIKHPDO-FQEVSTJZSA-N 1 0 471.545 4.280 20 0 JIADRO CN(C)C(=O)c1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349638579 1066864662 /nfs/dbraw/zinc/86/46/62/1066864662.db2.gz WSZVOKGVFCGUCP-GGXMVOPNSA-N 1 0 455.602 4.095 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318084208 1066891936 /nfs/dbraw/zinc/89/19/36/1066891936.db2.gz JOCTZFLGRUZDMM-WMVAVLGLSA-N 1 0 479.621 4.036 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001349910006 1066895135 /nfs/dbraw/zinc/89/51/35/1066895135.db2.gz HGABVHXXSUJUMN-RTBURBONSA-N 1 0 457.619 4.400 20 0 JIADRO Cc1cc2c(c(F)c1)C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)N2C(=O)OC(C)(C)C ZINC001350049135 1066909246 /nfs/dbraw/zinc/90/92/46/1066909246.db2.gz PQTYXJQTCOZRTB-RTWAWAEBSA-N 1 0 457.546 4.347 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(C2(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2)CC1 ZINC001350123459 1066921197 /nfs/dbraw/zinc/92/11/97/1066921197.db2.gz LPLVWMLGYIUMJM-UHFFFAOYSA-N 1 0 455.643 4.237 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492547450 1066921724 /nfs/dbraw/zinc/92/17/24/1066921724.db2.gz ZJOYAHOUFMUSQG-UHFFFAOYSA-N 1 0 498.075 4.128 20 0 JIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)cc2)C[C@H](C)O1 ZINC001318142463 1066921740 /nfs/dbraw/zinc/92/17/40/1066921740.db2.gz XMHVWGNHKATUSJ-SFTDATJTSA-N 1 0 484.604 4.029 20 0 JIADRO C[C@@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318148661 1066925559 /nfs/dbraw/zinc/92/55/59/1066925559.db2.gz PLDWIOWIKKXRHO-LJQANCHMSA-N 1 0 499.631 4.163 20 0 JIADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1 ZINC001318199853 1066954389 /nfs/dbraw/zinc/95/43/89/1066954389.db2.gz SOTUKBATCADQMW-UHFFFAOYSA-N 1 0 491.444 4.267 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC001350467523 1066960251 /nfs/dbraw/zinc/96/02/51/1066960251.db2.gz HHYBYQCKRAUQDP-NRFANRHFSA-N 1 0 452.020 4.392 20 0 JIADRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC001318212091 1066961335 /nfs/dbraw/zinc/96/13/35/1066961335.db2.gz WAKUCBMMJPXHNW-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001318213665 1066962384 /nfs/dbraw/zinc/96/23/84/1066962384.db2.gz JPDXLMVLEDNTRX-UHFFFAOYSA-N 1 0 463.409 4.236 20 0 JIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318216208 1066964770 /nfs/dbraw/zinc/96/47/70/1066964770.db2.gz QLNQQJPFRGJBHR-UHFFFAOYSA-N 1 0 460.603 4.060 20 0 JIADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC001318221796 1066968327 /nfs/dbraw/zinc/96/83/27/1066968327.db2.gz RGEOVBVNXNXEOS-UHFFFAOYSA-O 1 0 464.655 4.132 20 0 JIADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318225871 1066970745 /nfs/dbraw/zinc/97/07/45/1066970745.db2.gz GNRMLLNVLQKBNE-JOCHJYFZSA-N 1 0 452.643 4.042 20 0 JIADRO Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)ccc1N1CC[NH+](C)CC1 ZINC001318243392 1066980526 /nfs/dbraw/zinc/98/05/26/1066980526.db2.gz VTGTZSDGCNITIH-UHFFFAOYSA-N 1 0 460.500 4.145 20 0 JIADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC001318243751 1066980919 /nfs/dbraw/zinc/98/09/19/1066980919.db2.gz XVPOSYGCGKFRIM-SFTDATJTSA-N 1 0 467.633 4.046 20 0 JIADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC001318243750 1066980986 /nfs/dbraw/zinc/98/09/86/1066980986.db2.gz XVPOSYGCGKFRIM-OYRHEFFESA-N 1 0 467.633 4.046 20 0 JIADRO COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cccc(CN5CC[NH+](C)CC5)c4)CC3)c2c1 ZINC001318251511 1066984611 /nfs/dbraw/zinc/98/46/11/1066984611.db2.gz YGUGMTLWGBIVFR-UHFFFAOYSA-N 1 0 475.637 4.013 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492548149 1066987837 /nfs/dbraw/zinc/98/78/37/1066987837.db2.gz SVYJXTNDHITGOB-HFZDXXHNSA-N 1 0 455.647 4.291 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CC(F)(F)F)c1 ZINC001492548171 1066988204 /nfs/dbraw/zinc/98/82/04/1066988204.db2.gz UJGKKAKNAMSGEM-UHFFFAOYSA-N 1 0 465.545 4.154 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001318276913 1066998031 /nfs/dbraw/zinc/99/80/31/1066998031.db2.gz JTYLINQEKBNSBH-QHCPKHFHSA-N 1 0 466.626 4.101 20 0 JIADRO C[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311199 1067011605 /nfs/dbraw/zinc/01/16/05/1067011605.db2.gz NCNCTINXFJOYMC-CJFMBICVSA-N 1 0 490.627 4.260 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300684355 1067023109 /nfs/dbraw/zinc/02/31/09/1067023109.db2.gz UDTORUSUESPAIU-TZIWHRDSSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCN2C(=O)COc3ccccc32)cc1 ZINC001318340143 1067024067 /nfs/dbraw/zinc/02/40/67/1067024067.db2.gz ILXCFYVPJLMOSR-UHFFFAOYSA-N 1 0 468.557 4.122 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001300685794 1067026575 /nfs/dbraw/zinc/02/65/75/1067026575.db2.gz BZQBBNXVJXOSSX-MOPGFXCFSA-N 1 0 461.701 4.395 20 0 JIADRO CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001351008972 1067030974 /nfs/dbraw/zinc/03/09/74/1067030974.db2.gz VYZCSRAFHARLSB-GHTZIAJQSA-N 1 0 457.665 4.412 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC001318370788 1067033254 /nfs/dbraw/zinc/03/32/54/1067033254.db2.gz FNQDCISOLMNGPU-UHFFFAOYSA-N 1 0 462.594 4.386 20 0 JIADRO O=C(NCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccccc1C(F)(F)F ZINC001318371720 1067033354 /nfs/dbraw/zinc/03/33/54/1067033354.db2.gz KZJYXRRNTZGYFZ-UHFFFAOYSA-N 1 0 455.274 4.263 20 0 JIADRO CCOc1ccc(CN(C)C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC001318379642 1067034884 /nfs/dbraw/zinc/03/48/84/1067034884.db2.gz BQFILPBLUSQBSB-UHFFFAOYSA-N 1 0 475.033 4.101 20 0 JIADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[NH+]2CCCCC2)cc1 ZINC001351042726 1067037328 /nfs/dbraw/zinc/03/73/28/1067037328.db2.gz PUAISZDGGIXWEI-AUSIDOKSSA-N 1 0 455.986 4.045 20 0 JIADRO COc1ccncc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300694160 1067047642 /nfs/dbraw/zinc/04/76/42/1067047642.db2.gz OIPFKUMHVVNJDW-UHFFFAOYSA-N 1 0 455.006 4.361 20 0 JIADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318509962 1067050472 /nfs/dbraw/zinc/05/04/72/1067050472.db2.gz UVHYXUPBBUFTBI-UHFFFAOYSA-N 1 0 491.449 4.456 20 0 JIADRO COc1ccncc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001300701559 1067061878 /nfs/dbraw/zinc/06/18/78/1067061878.db2.gz CTWAPQYJDZAFPM-ICSRJNTNSA-N 1 0 451.571 4.333 20 0 JIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC001319025790 1067064223 /nfs/dbraw/zinc/06/42/23/1067064223.db2.gz PKJGYSUXGGSISD-UHFFFAOYSA-N 1 0 476.543 4.167 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001319116168 1067068100 /nfs/dbraw/zinc/06/81/00/1067068100.db2.gz ZFGVEHAFUHUTQQ-BGYRXZFFSA-N 1 0 472.589 4.447 20 0 JIADRO Cc1cccc(C)c1CCn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492486236 1067077410 /nfs/dbraw/zinc/07/74/10/1067077410.db2.gz JJXGPXNUXIFBLC-HHHXNRCGSA-N 1 0 469.674 4.099 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492487419 1067085327 /nfs/dbraw/zinc/08/53/27/1067085327.db2.gz STORSOPCSUOEOZ-JOCHJYFZSA-N 1 0 482.673 4.333 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4cncc(Br)c4n3)c(C)c2)CC1 ZINC001351390082 1067087947 /nfs/dbraw/zinc/08/79/47/1067087947.db2.gz GNWBGHVUMJRIFK-UHFFFAOYSA-N 1 0 454.372 4.095 20 0 JIADRO CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC001320810108 1067093770 /nfs/dbraw/zinc/09/37/70/1067093770.db2.gz WTOZXMXYTDKRIK-QHCPKHFHSA-N 1 0 458.628 4.032 20 0 JIADRO COc1cccc(N2CCC(NC(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)c1 ZINC001320810057 1067093825 /nfs/dbraw/zinc/09/38/25/1067093825.db2.gz RUXKWZVLPPPJEA-UHFFFAOYSA-N 1 0 454.640 4.077 20 0 JIADRO CC(C)NC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200788398 1067120052 /nfs/dbraw/zinc/12/00/52/1067120052.db2.gz HJUFVIXGTOMGGA-NRFANRHFSA-N 1 0 460.688 4.008 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001321425748 1067125465 /nfs/dbraw/zinc/12/54/65/1067125465.db2.gz ZEVJTTNRNUKLAJ-UHFFFAOYSA-O 1 0 471.628 4.361 20 0 JIADRO CN(C)c1cc[n+](C(C(=O)c2cccs2)C(=S)Nc2ccc3c(c2)OCCCO3)cc1 ZINC001321472486 1067139126 /nfs/dbraw/zinc/13/91/26/1067139126.db2.gz VADMTBYMYBAHTD-UHFFFAOYSA-O 1 0 454.597 4.066 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001351629713 1067151643 /nfs/dbraw/zinc/15/16/43/1067151643.db2.gz DBVHQSPNXCRREU-UHFFFAOYSA-N 1 0 452.990 4.267 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N(Cc3cc(Br)ccc3F)C3CC3)c2)CC1 ZINC001321514052 1067153386 /nfs/dbraw/zinc/15/33/86/1067153386.db2.gz YGPCZQRWDXQVAM-UHFFFAOYSA-N 1 0 489.433 4.210 20 0 JIADRO COc1ccc(COCc2cccc(NC(=O)NCc3ccccc3N3CC[NH+](C)CC3)c2)cc1 ZINC001321563289 1067166294 /nfs/dbraw/zinc/16/62/94/1067166294.db2.gz IYJSOCZFHMSHAR-UHFFFAOYSA-N 1 0 474.605 4.486 20 0 JIADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC001321616292 1067176494 /nfs/dbraw/zinc/17/64/94/1067176494.db2.gz VKZWVQNLQMHAAD-UHFFFAOYSA-N 1 0 450.004 4.265 20 0 JIADRO CCC[NH+]1C[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@@H]2C1 ZINC001200801084 1067198591 /nfs/dbraw/zinc/19/85/91/1067198591.db2.gz DKSKKVQMVHAWIU-QWRGUYRKSA-N 1 0 465.230 4.321 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2cc(=O)n(C)c3ccccc23)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001321681932 1067198676 /nfs/dbraw/zinc/19/86/76/1067198676.db2.gz MHKVIKKJWZSIPM-UHFFFAOYSA-N 1 0 467.591 4.188 20 0 JIADRO COc1cccc([C@H](CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)c1 ZINC001321692093 1067198789 /nfs/dbraw/zinc/19/87/89/1067198789.db2.gz WMKYNAVIAKLRSB-VPUSJEBWSA-N 1 0 473.621 4.454 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492578003 1067200968 /nfs/dbraw/zinc/20/09/68/1067200968.db2.gz TZXDBFDLLCBNFB-QUCCMNQESA-N 1 0 470.065 4.321 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492578004 1067201130 /nfs/dbraw/zinc/20/11/30/1067201130.db2.gz TZXDBFDLLCBNFB-UYAOXDASSA-N 1 0 470.065 4.321 20 0 JIADRO COc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(OC)cc1NC(=O)c1ccccc1 ZINC001321731931 1067204706 /nfs/dbraw/zinc/20/47/06/1067204706.db2.gz FADCTMXLONIZGN-UHFFFAOYSA-N 1 0 466.582 4.438 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492578369 1067211639 /nfs/dbraw/zinc/21/16/39/1067211639.db2.gz HENPZGFLFWHCIJ-OTNCWRBYSA-N 1 0 496.725 4.087 20 0 JIADRO Cc1c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc2c[nH+]cn21 ZINC001351954220 1067255899 /nfs/dbraw/zinc/25/58/99/1067255899.db2.gz JXMCULQCKQWZFJ-UHFFFAOYSA-N 1 0 455.923 4.340 20 0 JIADRO C[C@H](C(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001300746954 1067258748 /nfs/dbraw/zinc/25/87/48/1067258748.db2.gz DKLKEPOXBCIMAP-QGZVFWFLSA-N 1 0 459.512 4.373 20 0 JIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001200812150 1067265252 /nfs/dbraw/zinc/26/52/52/1067265252.db2.gz JNQJUSADJSTENK-VWLOTQADSA-N 1 0 453.583 4.047 20 0 JIADRO CO[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001300749864 1067267359 /nfs/dbraw/zinc/26/73/59/1067267359.db2.gz SKKICZAWNCMXAE-DEOSSOPVSA-N 1 0 482.673 4.275 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001492550090 1067275553 /nfs/dbraw/zinc/27/55/53/1067275553.db2.gz XZPWVMRDWVGNLC-OAQYLSRUSA-N 1 0 498.672 4.143 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC001322317894 1067275584 /nfs/dbraw/zinc/27/55/84/1067275584.db2.gz WEYSAWKLXNHYLN-UHFFFAOYSA-N 1 0 450.974 4.192 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001322331605 1067276096 /nfs/dbraw/zinc/27/60/96/1067276096.db2.gz AJKAOGJXQCEGFE-UHFFFAOYSA-N 1 0 458.566 4.212 20 0 JIADRO C[NH+](C)CCCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C(c1ccccc1)c1ccccc1 ZINC001322403738 1067287211 /nfs/dbraw/zinc/28/72/11/1067287211.db2.gz IELJYYJPQYHZJA-UHFFFAOYSA-N 1 0 471.523 4.437 20 0 JIADRO Cc1nc(CSc2ccccc2C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cs1 ZINC001322424286 1067290498 /nfs/dbraw/zinc/29/04/98/1067290498.db2.gz QHJLAPQZICSHQY-UHFFFAOYSA-N 1 0 466.676 4.421 20 0 JIADRO COC(=O)/C=C\c1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(OC)c1 ZINC001352119033 1067291578 /nfs/dbraw/zinc/29/15/78/1067291578.db2.gz VZUIEJZMDPPKGQ-URXJJBOYSA-N 1 0 472.541 4.098 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001300759400 1067294953 /nfs/dbraw/zinc/29/49/53/1067294953.db2.gz IOGXFCCFXQJGGC-WIYYLYMNSA-N 1 0 450.002 4.473 20 0 JIADRO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc12 ZINC001322468814 1067297488 /nfs/dbraw/zinc/29/74/88/1067297488.db2.gz LGJHWZVFRQSNRL-UHFFFAOYSA-N 1 0 463.582 4.216 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1ccccc1 ZINC001354969787 1067310641 /nfs/dbraw/zinc/31/06/41/1067310641.db2.gz CVUMPTHNMWIHFZ-HXUWFJFHSA-N 1 0 459.377 4.352 20 0 JIADRO CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC001352218879 1067311876 /nfs/dbraw/zinc/31/18/76/1067311876.db2.gz SKBFPIRVDNPBMP-UHFFFAOYSA-N 1 0 456.518 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccc(N4CCOC4=O)c3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492494605 1067313940 /nfs/dbraw/zinc/31/39/40/1067313940.db2.gz DTDGADFCBKUPLW-HXUWFJFHSA-N 1 0 477.613 4.143 20 0 JIADRO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC001323086102 1067314218 /nfs/dbraw/zinc/31/42/18/1067314218.db2.gz XJIWZKISPIBGKH-XNMGPUDCSA-N 1 0 473.621 4.454 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)C[C@@H](C)O1 ZINC001323180143 1067315948 /nfs/dbraw/zinc/31/59/48/1067315948.db2.gz UJVSCHCZMWSOQT-TXTKFYIRSA-N 1 0 461.610 4.261 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001323352799 1067318851 /nfs/dbraw/zinc/31/88/51/1067318851.db2.gz VNYNJEWBBUUGCI-IEBWSBKVSA-N 1 0 450.004 4.330 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492552746 1067319386 /nfs/dbraw/zinc/31/93/86/1067319386.db2.gz DMYOQZRVSIUIGD-FMGHJNRGSA-N 1 0 499.700 4.325 20 0 JIADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001354994226 1067325028 /nfs/dbraw/zinc/32/50/28/1067325028.db2.gz UAWPSEANEWSOKB-NSYGIPOTSA-N 1 0 450.558 4.367 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1)C1CC[NH+](C)CC1 ZINC001354995112 1067325837 /nfs/dbraw/zinc/32/58/37/1067325837.db2.gz WFYZVKFUTYCDKQ-BKMJKUGQSA-N 1 0 456.631 4.193 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300773969 1067326627 /nfs/dbraw/zinc/32/66/27/1067326627.db2.gz VJYHCFZHARVAGE-ISKFKSNPSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)[NH+]1CCCCC1 ZINC001323789708 1067327488 /nfs/dbraw/zinc/32/74/88/1067327488.db2.gz MHCGTWBVSSONPX-HSZRJFAPSA-N 1 0 474.561 4.005 20 0 JIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001324196009 1067335018 /nfs/dbraw/zinc/33/50/18/1067335018.db2.gz WSVXUISIEUNJGL-UHFFFAOYSA-N 1 0 458.587 4.080 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001300000721 1067337348 /nfs/dbraw/zinc/33/73/48/1067337348.db2.gz LAALZOXOFIPFNQ-HNNXBMFYSA-N 1 0 476.341 4.055 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497678 1067339317 /nfs/dbraw/zinc/33/93/17/1067339317.db2.gz FCFFQPYFFTYNSI-HSZRJFAPSA-N 1 0 497.594 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001300782514 1067339477 /nfs/dbraw/zinc/33/94/77/1067339477.db2.gz NOIYQBHPWCTILZ-UHFFFAOYSA-N 1 0 466.605 4.313 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300001416 1067339549 /nfs/dbraw/zinc/33/95/49/1067339549.db2.gz CUASFBJMQCTXBK-HXUWFJFHSA-N 1 0 480.569 4.099 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492498099 1067340732 /nfs/dbraw/zinc/34/07/32/1067340732.db2.gz RVKDDYBFYAJFNU-GOSISDBHSA-N 1 0 453.660 4.467 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001300784424 1067344157 /nfs/dbraw/zinc/34/41/57/1067344157.db2.gz BPFWRXBKJPFVAY-FQEVSTJZSA-N 1 0 497.562 4.069 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001300784571 1067344236 /nfs/dbraw/zinc/34/42/36/1067344236.db2.gz KKQLMEGSGGMCGX-IFMALSPDSA-N 1 0 485.673 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001300785020 1067345300 /nfs/dbraw/zinc/34/53/00/1067345300.db2.gz IBZNFUPPGXTPCF-UHFFFAOYSA-N 1 0 467.992 4.257 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300003019 1067345848 /nfs/dbraw/zinc/34/58/48/1067345848.db2.gz WKCYQRQOZSFSPD-QFIPXVFZSA-N 1 0 453.587 4.312 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001300785295 1067346374 /nfs/dbraw/zinc/34/63/74/1067346374.db2.gz PIZYQHDMSSBMLW-ICSRJNTNSA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001300785293 1067346552 /nfs/dbraw/zinc/34/65/52/1067346552.db2.gz PIZYQHDMSSBMLW-AZUAARDMSA-N 1 0 492.064 4.186 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300003179 1067346744 /nfs/dbraw/zinc/34/67/44/1067346744.db2.gz QNKFHFWXNZZDOF-KRWDZBQOSA-N 1 0 470.643 4.096 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300003482 1067347320 /nfs/dbraw/zinc/34/73/20/1067347320.db2.gz WQESMJIDVUKRLK-GOSISDBHSA-N 1 0 482.629 4.468 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300003704 1067348407 /nfs/dbraw/zinc/34/84/07/1067348407.db2.gz RCWDTNQJTYVWHD-HDICACEKSA-N 1 0 484.670 4.243 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(F)(F)F)CC1 ZINC001300786528 1067348980 /nfs/dbraw/zinc/34/89/80/1067348980.db2.gz OCEMROOPKGFZJP-UHFFFAOYSA-N 1 0 489.970 4.398 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001492553596 1067349241 /nfs/dbraw/zinc/34/92/41/1067349241.db2.gz MBXBGWIWFBRZCO-UHFFFAOYSA-N 1 0 466.674 4.058 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC001352356009 1067349896 /nfs/dbraw/zinc/34/98/96/1067349896.db2.gz SWTQEKZIIUKCIX-UHFFFAOYSA-N 1 0 454.571 4.358 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)C/C(C)=C\c2ccccc2)CC1 ZINC001300787499 1067350981 /nfs/dbraw/zinc/35/09/81/1067350981.db2.gz WWEBAEWHPWRVFA-FLVWFLKISA-N 1 0 467.658 4.211 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300005734 1067353373 /nfs/dbraw/zinc/35/33/73/1067353373.db2.gz ILVUKUFCVPYAJV-NRFANRHFSA-N 1 0 470.643 4.176 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300788122 1067353479 /nfs/dbraw/zinc/35/34/79/1067353479.db2.gz ZYCYIQUFQUXDIL-NRFANRHFSA-N 1 0 471.715 4.285 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccsc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300006822 1067356026 /nfs/dbraw/zinc/35/60/26/1067356026.db2.gz RXJQPZXACCUGAM-NRFANRHFSA-N 1 0 485.654 4.017 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCCC3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300008066 1067358460 /nfs/dbraw/zinc/35/84/60/1067358460.db2.gz ATUQSEKCKWDLQT-HNNXBMFYSA-N 1 0 450.425 4.293 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC[NH+]2CCCCC2)cc1Br ZINC001300010515 1067362881 /nfs/dbraw/zinc/36/28/81/1067362881.db2.gz KPTAMVHGRGGBOU-UHFFFAOYSA-N 1 0 492.462 4.065 20 0 JIADRO COC1CC[NH+](C2(Cn3c([C@H]4CCCO4)nnc3N(C)[C@H](C)CCSC)CCCC2)CC1 ZINC001300792549 1067363316 /nfs/dbraw/zinc/36/33/16/1067363316.db2.gz XXNNHVBJNWMWHZ-TZIWHRDSSA-N 1 0 465.708 4.131 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCc3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300012239 1067366671 /nfs/dbraw/zinc/36/66/71/1067366671.db2.gz UVFITPCNNARAGH-IBGZPJMESA-N 1 0 469.655 4.435 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300016521 1067376050 /nfs/dbraw/zinc/37/60/50/1067376050.db2.gz CJDQNUSGYRGDFU-LJQANCHMSA-N 1 0 457.619 4.393 20 0 JIADRO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001355178744 1067385490 /nfs/dbraw/zinc/38/54/90/1067385490.db2.gz JWDMDBGRBAEPHA-NJTBCWBZSA-N 1 0 470.617 4.142 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300021818 1067386455 /nfs/dbraw/zinc/38/64/55/1067386455.db2.gz KVCFBPZKQLXOML-NFBKMPQASA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300023554 1067392113 /nfs/dbraw/zinc/39/21/13/1067392113.db2.gz HLQBIFQQZWFOCR-UFYCRDLUSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001300026638 1067398905 /nfs/dbraw/zinc/39/89/05/1067398905.db2.gz ZZPCBJMXCHHSDH-NXMSCROESA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026818 1067399427 /nfs/dbraw/zinc/39/94/27/1067399427.db2.gz FRNQBCGJGFISPS-ICSRJNTNSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001300027866 1067403237 /nfs/dbraw/zinc/40/32/37/1067403237.db2.gz WJDOJALFSQKIAZ-WMZOPIPTSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c(OC)c1 ZINC001300031320 1067421595 /nfs/dbraw/zinc/42/15/95/1067421595.db2.gz YUKYSHMLTUUPQY-HXUWFJFHSA-N 1 0 471.646 4.090 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC001352475580 1067427021 /nfs/dbraw/zinc/42/70/21/1067427021.db2.gz WYIGSHBUVKGEPC-UHFFFAOYSA-N 1 0 451.493 4.292 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300033234 1067431330 /nfs/dbraw/zinc/43/13/30/1067431330.db2.gz IWSJIWBRRKKLMY-RBUKOAKNSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](c4ccco4)C3)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001300036344 1067444410 /nfs/dbraw/zinc/44/44/10/1067444410.db2.gz PLSXXJAGBOLKJJ-FQEVSTJZSA-N 1 0 453.587 4.280 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(c4nc(C)no4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c(OC)c1 ZINC001300038480 1067452009 /nfs/dbraw/zinc/45/20/09/1067452009.db2.gz PIKFMVZYMWUEJU-HXUWFJFHSA-N 1 0 497.644 4.014 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(C)CCCO2)c(OC)c1 ZINC001300040241 1067460744 /nfs/dbraw/zinc/46/07/44/1067460744.db2.gz JBSXREDLHGAXSR-AREMUKBSSA-N 1 0 471.646 4.088 20 0 JIADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001355493184 1067487325 /nfs/dbraw/zinc/48/73/25/1067487325.db2.gz JUPJMIJBUFONKL-INIZCTEOSA-N 1 0 451.583 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001300044299 1067488180 /nfs/dbraw/zinc/48/81/80/1067488180.db2.gz OESZQOPNHLLYPT-VQTJNVASSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001300045753 1067495064 /nfs/dbraw/zinc/49/50/64/1067495064.db2.gz PVBFPMNUYAXNRE-FUHYEJFZSA-N 1 0 485.673 4.477 20 0 JIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC001200068726 1067505660 /nfs/dbraw/zinc/50/56/60/1067505660.db2.gz CKFHOZYMJYVDIP-OAQYLSRUSA-N 1 0 459.635 4.351 20 0 JIADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001355568680 1067512435 /nfs/dbraw/zinc/51/24/35/1067512435.db2.gz YCWXWSAZYDVUGX-DEOSSOPVSA-N 1 0 458.549 4.484 20 0 JIADRO C[NH+]1CCC(N(C(=O)c2cc(I)c(F)cc2F)c2ccccc2)CC1 ZINC001355576249 1067514321 /nfs/dbraw/zinc/51/43/21/1067514321.db2.gz IDIQJWKVRNXCQA-UHFFFAOYSA-N 1 0 456.274 4.310 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300051581 1067517601 /nfs/dbraw/zinc/51/76/01/1067517601.db2.gz KNSVLMPWCPCYFG-ZEQKJWHPSA-N 1 0 455.647 4.470 20 0 JIADRO C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001355593033 1067519934 /nfs/dbraw/zinc/51/99/34/1067519934.db2.gz IMRCNBYZRFHAHZ-MRXNPFEDSA-N 1 0 457.500 4.218 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492582463 1067526302 /nfs/dbraw/zinc/52/63/02/1067526302.db2.gz IRUVLJKCKLUXRQ-GGAORHGYSA-N 1 0 482.673 4.155 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](n4cc(C)cn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054929 1067534592 /nfs/dbraw/zinc/53/45/92/1067534592.db2.gz AAOWCQVNJBVCAN-PKTZIBPZSA-N 1 0 495.672 4.285 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001492582933 1067534927 /nfs/dbraw/zinc/53/49/27/1067534927.db2.gz YIAIMKPVESQBPP-HSZRJFAPSA-N 1 0 482.673 4.109 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300055982 1067538992 /nfs/dbraw/zinc/53/89/92/1067538992.db2.gz DPXKXAKKXDFIRR-RBBKRZOGSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](n4cc(C)cn4)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300056370 1067540412 /nfs/dbraw/zinc/54/04/12/1067540412.db2.gz NFSWTNCIGLLDFZ-HSZRJFAPSA-N 1 0 465.646 4.419 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001300056930 1067542926 /nfs/dbraw/zinc/54/29/26/1067542926.db2.gz PCXNQAZVNMQXPB-IEBWSBKVSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300057354 1067544885 /nfs/dbraw/zinc/54/48/85/1067544885.db2.gz VCDJYERAMJBNJG-LPHOPBHVSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300057424 1067545593 /nfs/dbraw/zinc/54/55/93/1067545593.db2.gz UMVSOPSSSNUILO-IFMALSPDSA-N 1 0 485.673 4.478 20 0 JIADRO COC(=O)c1nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)cs1 ZINC001355670532 1067547900 /nfs/dbraw/zinc/54/79/00/1067547900.db2.gz WYKGQBNLMRZZFI-KRWDZBQOSA-N 1 0 458.411 4.465 20 0 JIADRO COc1ccc(CCNC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001200078040 1067547917 /nfs/dbraw/zinc/54/79/17/1067547917.db2.gz HYUUCTMGEMABBB-IYXIZZNPSA-N 1 0 455.668 4.016 20 0 JIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001200078214 1067548734 /nfs/dbraw/zinc/54/87/34/1067548734.db2.gz WEUJVHAXUXFGCT-LJQANCHMSA-N 1 0 454.290 4.483 20 0 JIADRO COC(=O)/C=C\c1ccc(OC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001352580257 1067552462 /nfs/dbraw/zinc/55/24/62/1067552462.db2.gz MDXIMKLOEFMZFK-LUQQZNFBSA-N 1 0 453.535 4.354 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300060336 1067558078 /nfs/dbraw/zinc/55/80/78/1067558078.db2.gz WLCTYJIVYXULLZ-FXAWDEMLSA-N 1 0 459.660 4.167 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001355717021 1067561151 /nfs/dbraw/zinc/56/11/51/1067561151.db2.gz VYRDPSKEKUDXMD-IRXDYDNUSA-N 1 0 453.027 4.360 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492583924 1067567363 /nfs/dbraw/zinc/56/73/63/1067567363.db2.gz YKTRCJCTIWNOKK-QFIPXVFZSA-N 1 0 488.474 4.023 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(OC)CCCCC2)cc1OC ZINC001300062290 1067568882 /nfs/dbraw/zinc/56/88/82/1067568882.db2.gz YAFNGGQVOLCWPG-UHFFFAOYSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)c2nccs2)c(OC)c1 ZINC001300067776 1067584067 /nfs/dbraw/zinc/58/40/67/1067584067.db2.gz VFTUILWWYMGWEF-KRWDZBQOSA-N 1 0 470.643 4.143 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843447 1067590517 /nfs/dbraw/zinc/59/05/17/1067590517.db2.gz ZNAJCMQASWEPQE-JTSKRJEESA-N 1 0 453.384 4.259 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCCC(C)(C)C)c(OC)c1 ZINC001300072082 1067593944 /nfs/dbraw/zinc/59/39/44/1067593944.db2.gz XHHNACURFKKKNC-HXUWFJFHSA-N 1 0 485.673 4.478 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1c(C)coc1CC(=O)OC)c1cccc(Br)c1 ZINC001355862959 1067593943 /nfs/dbraw/zinc/59/39/43/1067593943.db2.gz ZLSGNLLGZBHSEI-UHFFFAOYSA-N 1 0 451.361 4.055 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001300075506 1067601192 /nfs/dbraw/zinc/60/11/92/1067601192.db2.gz NGXSMFAUVVRNLO-HHHXNRCGSA-N 1 0 469.674 4.453 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2c(C)noc2C)cc1 ZINC001300075746 1067602406 /nfs/dbraw/zinc/60/24/06/1067602406.db2.gz OEXOVWICSKLPJM-UHFFFAOYSA-N 1 0 466.630 4.359 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300076923 1067605448 /nfs/dbraw/zinc/60/54/48/1067605448.db2.gz JJAOGMNLVLUIMJ-HYBUGGRVSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(C(F)(F)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC001355913556 1067607885 /nfs/dbraw/zinc/60/78/85/1067607885.db2.gz MPYQRTOTBWGGLD-UHFFFAOYSA-N 1 0 452.505 4.143 20 0 JIADRO Nn1c(SCc2cccc(C[NH+]3CCCCC3)c2)nnc1-c1cncc(Br)c1 ZINC001472993934 1067610297 /nfs/dbraw/zinc/61/02/97/1067610297.db2.gz NAKKHOUJCGYDIN-UHFFFAOYSA-N 1 0 459.417 4.095 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300077976 1067610245 /nfs/dbraw/zinc/61/02/45/1067610245.db2.gz DOKJZPIWYIZOCY-FXAWDEMLSA-N 1 0 481.563 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300080682 1067617499 /nfs/dbraw/zinc/61/74/99/1067617499.db2.gz XLUASDOLMMBWAE-WOJBJXKFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[NH+]2CCCCC2)c(OC)c1 ZINC001300085469 1067627850 /nfs/dbraw/zinc/62/78/50/1067627850.db2.gz WOPVYLTUARQNSR-JOCHJYFZSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001300087906 1067634428 /nfs/dbraw/zinc/63/44/28/1067634428.db2.gz KCBQRMKRPWLXPL-IRXDYDNUSA-N 1 0 494.503 4.390 20 0 JIADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356091315 1067656538 /nfs/dbraw/zinc/65/65/38/1067656538.db2.gz MQCHXYXGJGWKKF-OAQYLSRUSA-N 1 0 456.428 4.052 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300097380 1067663780 /nfs/dbraw/zinc/66/37/80/1067663780.db2.gz BCQSODPZOMVGKA-IFMALSPDSA-N 1 0 479.629 4.070 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300098586 1067666324 /nfs/dbraw/zinc/66/63/24/1067666324.db2.gz MCZLKNSVVMKPFM-BWKNWUBXSA-N 1 0 473.687 4.273 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC001300099578 1067671475 /nfs/dbraw/zinc/67/14/75/1067671475.db2.gz HYQWRUAUXFTYMB-GMAHTHKFSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccco3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300111866 1067713065 /nfs/dbraw/zinc/71/30/65/1067713065.db2.gz RULCXEYYBBEBIQ-HSZRJFAPSA-N 1 0 451.615 4.422 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300113682 1067719108 /nfs/dbraw/zinc/71/91/08/1067719108.db2.gz MDKXWMUSCVPIME-NZRVCZAQSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300113650 1067719159 /nfs/dbraw/zinc/71/91/59/1067719159.db2.gz LMTYIQCKHSXLRV-BGYRXZFFSA-N 1 0 457.688 4.277 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300115469 1067724736 /nfs/dbraw/zinc/72/47/36/1067724736.db2.gz XDLBMDPKHIWKFH-NRFANRHFSA-N 1 0 457.663 4.194 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300117587 1067728554 /nfs/dbraw/zinc/72/85/54/1067728554.db2.gz MDHTZWJJPAELQX-GOTSBHOMSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300119200 1067733162 /nfs/dbraw/zinc/73/31/62/1067733162.db2.gz PZZOOVPESQCBNH-HXUWFJFHSA-N 1 0 461.601 4.429 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300119199 1067733230 /nfs/dbraw/zinc/73/32/30/1067733230.db2.gz PZZOOVPESQCBNH-FQEVSTJZSA-N 1 0 461.601 4.429 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300122433 1067741247 /nfs/dbraw/zinc/74/12/47/1067741247.db2.gz BSISBPCLDMXRJW-UHFFFAOYSA-N 1 0 457.688 4.280 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300125015 1067749150 /nfs/dbraw/zinc/74/91/50/1067749150.db2.gz BTJLMNRQAJIRJE-HSZRJFAPSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSC(C)C)cc1 ZINC001300127019 1067756759 /nfs/dbraw/zinc/75/67/59/1067756759.db2.gz JYPQTHWRISDEKJ-UHFFFAOYSA-N 1 0 457.688 4.278 20 0 JIADRO Cc1ccc(NC(=S)N2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)c(Br)c1 ZINC001200147021 1067757668 /nfs/dbraw/zinc/75/76/68/1067757668.db2.gz ZUXDIEQLFGMUNX-OALUTQOASA-N 1 0 475.456 4.133 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C[N@@H+]1Cc1ccccc1 ZINC001356501004 1067765056 /nfs/dbraw/zinc/76/50/56/1067765056.db2.gz ICCOKDNWOGBHIA-FLRRRYEYSA-N 1 0 455.643 4.441 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300131382 1067767484 /nfs/dbraw/zinc/76/74/84/1067767484.db2.gz NWOVLTWBFALBQX-DEOSSOPVSA-N 1 0 464.658 4.482 20 0 JIADRO O=C(N1CCN(c2cccc(Cl)c2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001352868907 1067775831 /nfs/dbraw/zinc/77/58/31/1067775831.db2.gz MJWKZGOTSJWZQI-QFIPXVFZSA-N 1 0 451.920 4.443 20 0 JIADRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000849058556 1067789308 /nfs/dbraw/zinc/78/93/08/1067789308.db2.gz FTENJAJKMKESOP-NRFANRHFSA-N 1 0 490.073 4.236 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000849062789 1067791377 /nfs/dbraw/zinc/79/13/77/1067791377.db2.gz PAJPOWDTQARCEQ-UHFFFAOYSA-N 1 0 492.599 4.481 20 0 JIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(Br)ccc1C ZINC001356623892 1067794577 /nfs/dbraw/zinc/79/45/77/1067794577.db2.gz UBMWBXGVFPLJKT-SFHVURJKSA-N 1 0 454.372 4.357 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000849074995 1067797532 /nfs/dbraw/zinc/79/75/32/1067797532.db2.gz XPGXOMYZPJCJLV-UHFFFAOYSA-N 1 0 459.348 4.168 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)nc3cc(F)ccc32)cc1OC ZINC001357116829 1067806261 /nfs/dbraw/zinc/80/62/61/1067806261.db2.gz KRDZASFRJQHORF-UHFFFAOYSA-N 1 0 452.530 4.015 20 0 JIADRO CCOC(=O)N1[C@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@H]1c1ccc(C)o1 ZINC001352940703 1067811866 /nfs/dbraw/zinc/81/18/66/1067811866.db2.gz LUSDCOSFUFAVLZ-VXKWHMMOSA-N 1 0 454.571 4.031 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300156822 1067813322 /nfs/dbraw/zinc/81/33/22/1067813322.db2.gz FRLLFYUVGQPFHU-QHCPKHFHSA-N 1 0 491.640 4.081 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC001300162275 1067817211 /nfs/dbraw/zinc/81/72/11/1067817211.db2.gz HQXHLXXHAINLIC-IUBSTNSRSA-N 1 0 473.658 4.290 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001300162568 1067818128 /nfs/dbraw/zinc/81/81/28/1067818128.db2.gz PABULTQWJVHVCX-JOCHJYFZSA-N 1 0 480.657 4.305 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCC2)cc1C ZINC001300162554 1067818155 /nfs/dbraw/zinc/81/81/55/1067818155.db2.gz OXORPRVAFATZSP-UHFFFAOYSA-N 1 0 455.006 4.433 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492584889 1067823052 /nfs/dbraw/zinc/82/30/52/1067823052.db2.gz UXKAWFLTLMOKDB-PFATUAPWSA-N 1 0 494.728 4.429 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492585090 1067824386 /nfs/dbraw/zinc/82/43/86/1067824386.db2.gz XPQHFFSZGNGOBK-XMMPIXPASA-N 1 0 494.728 4.288 20 0 JIADRO CC(C)(C)Sc1cc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccn1 ZINC001357255896 1067826016 /nfs/dbraw/zinc/82/60/16/1067826016.db2.gz ZTPJAPYBYFPNLA-HXUWFJFHSA-N 1 0 453.656 4.042 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300167480 1067826096 /nfs/dbraw/zinc/82/60/96/1067826096.db2.gz YBTGMETVYWVKQY-WOJBJXKFSA-N 1 0 493.656 4.145 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCCCC2)cc1OC(F)F ZINC001300167696 1067826439 /nfs/dbraw/zinc/82/64/39/1067826439.db2.gz YJESYXNPDAETJL-UHFFFAOYSA-N 1 0 486.567 4.381 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC(F)F ZINC001300169893 1067828339 /nfs/dbraw/zinc/82/83/39/1067828339.db2.gz LYWNOWYANYIXIP-NQIIRXRSSA-N 1 0 493.599 4.498 20 0 JIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC001357286408 1067830735 /nfs/dbraw/zinc/83/07/35/1067830735.db2.gz YWKLLLRHEIVFKP-UHFFFAOYSA-N 1 0 452.546 4.277 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC001300173869 1067833387 /nfs/dbraw/zinc/83/33/87/1067833387.db2.gz ZRQIWJLIAOTNTH-KMRXNPHXSA-N 1 0 492.668 4.428 20 0 JIADRO COCCCOc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1C ZINC001357346678 1067836910 /nfs/dbraw/zinc/83/69/10/1067836910.db2.gz TUAXICOIGCOLCT-UHFFFAOYSA-N 1 0 453.583 4.477 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300176619 1067837287 /nfs/dbraw/zinc/83/72/87/1067837287.db2.gz ZYWRYJQSHTWRRE-DEOSSOPVSA-N 1 0 478.641 4.038 20 0 JIADRO C[C@H](CNC(=O)c1ccc(Cl)c(I)c1)[N@@H+]1CCc2ccccc2C1 ZINC001357359878 1067838850 /nfs/dbraw/zinc/83/88/50/1067838850.db2.gz OWOHAGZXGUHUIR-CYBMUJFWSA-N 1 0 454.739 4.121 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC001300178219 1067839078 /nfs/dbraw/zinc/83/90/78/1067839078.db2.gz ZPNBRMDEOZTGRD-WXTAPIANSA-N 1 0 498.697 4.495 20 0 JIADRO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001357493400 1067858770 /nfs/dbraw/zinc/85/87/70/1067858770.db2.gz CXZRBLSBZGSBIT-WSTZPKSXSA-N 1 0 457.416 4.393 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001357599588 1067876080 /nfs/dbraw/zinc/87/60/80/1067876080.db2.gz QOCZPCWPUWUAKZ-ZLNRFVROSA-N 1 0 475.630 4.087 20 0 JIADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357605385 1067876397 /nfs/dbraw/zinc/87/63/97/1067876397.db2.gz OHRHTGMGODVXKD-OAQYLSRUSA-N 1 0 458.603 4.085 20 0 JIADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2C)s1 ZINC001353146029 1067881124 /nfs/dbraw/zinc/88/11/24/1067881124.db2.gz BWMVUKIYCHVJPR-SFHVURJKSA-N 1 0 454.621 4.277 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC001357643649 1067881740 /nfs/dbraw/zinc/88/17/40/1067881740.db2.gz ASNNKIAKMAIVGM-RUZDIDTESA-N 1 0 455.602 4.424 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1 ZINC001357649595 1067882026 /nfs/dbraw/zinc/88/20/26/1067882026.db2.gz UNIWOYPJGQZAIS-UHFFFAOYSA-N 1 0 452.555 4.127 20 0 JIADRO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+]C1(CO)CCCCC1 ZINC001473294451 1067885443 /nfs/dbraw/zinc/88/54/43/1067885443.db2.gz NUAWBNFXURCVKK-UHFFFAOYSA-N 1 0 450.988 4.469 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(I)cc3)C[C@@H]21 ZINC001473302219 1067885852 /nfs/dbraw/zinc/88/58/52/1067885852.db2.gz MMUCNDZLNJGCRA-BPQIPLTHSA-N 1 0 456.368 4.416 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(C(F)(F)F)c1 ZINC001300215689 1067885949 /nfs/dbraw/zinc/88/59/49/1067885949.db2.gz DLWFNFRCUOEIBT-SFHVURJKSA-N 1 0 495.590 4.242 20 0 JIADRO Cc1ccccc1-c1nnc(N(Cc2ccco2)C(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001492559976 1067887159 /nfs/dbraw/zinc/88/71/59/1067887159.db2.gz DBGGNCHMTNLNCI-UHFFFAOYSA-N 1 0 451.615 4.497 20 0 JIADRO COc1ccc(Oc2ccc(C(=O)NCC3([N@@H+]4CCOC(C)(C)C4)CCCCC3)nc2)cc1 ZINC001353168365 1067887208 /nfs/dbraw/zinc/88/72/08/1067887208.db2.gz WNOQJTDIGLPQJT-UHFFFAOYSA-N 1 0 453.583 4.426 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001357712437 1067890101 /nfs/dbraw/zinc/89/01/01/1067890101.db2.gz QVFGTMSUISKRBK-HEKZAOSPSA-N 1 0 457.615 4.273 20 0 JIADRO COc1ccc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001300221403 1067892753 /nfs/dbraw/zinc/89/27/53/1067892753.db2.gz MDDBTVLGPWYFHD-UHFFFAOYSA-N 1 0 499.059 4.234 20 0 JIADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(-c2ccccc2)n1C)c1cccc(C(F)(F)F)c1 ZINC001357797640 1067901679 /nfs/dbraw/zinc/90/16/79/1067901679.db2.gz DHLGHAUENCEXJW-UHFFFAOYSA-N 1 0 459.516 4.418 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001357798893 1067902786 /nfs/dbraw/zinc/90/27/86/1067902786.db2.gz OWZMWHILZUNHIY-AWEZNQCLSA-N 1 0 455.352 4.041 20 0 JIADRO COc1ccc(COCCCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001300232340 1067919186 /nfs/dbraw/zinc/91/91/86/1067919186.db2.gz SRZGNRSELXSLFL-JOCHJYFZSA-N 1 0 499.700 4.172 20 0 JIADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ncccn1 ZINC001300236085 1067927831 /nfs/dbraw/zinc/92/78/31/1067927831.db2.gz XLEFDUXMWYNGGM-UHFFFAOYSA-N 1 0 453.999 4.432 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCCCC1 ZINC001300237941 1067935821 /nfs/dbraw/zinc/93/58/21/1067935821.db2.gz URGLAJXAHDHXNI-IBGZPJMESA-N 1 0 462.038 4.347 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)cc2)C[C@H]1C ZINC001357904535 1067936373 /nfs/dbraw/zinc/93/63/73/1067936373.db2.gz JAEWNUHJGIEFKY-GKJHBJHPSA-N 1 0 456.549 4.202 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)C[C@@H]1C ZINC001357906667 1067937848 /nfs/dbraw/zinc/93/78/48/1067937848.db2.gz PYQRSPYEIGOJQH-OALUTQOASA-N 1 0 451.542 4.420 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(OC(F)F)c(F)c3)cc2)C[C@H]1C ZINC001357906964 1067938799 /nfs/dbraw/zinc/93/87/99/1067938799.db2.gz SBYGCSFDHYKOCM-CALCHBBNSA-N 1 0 450.501 4.366 20 0 JIADRO COc1cc(C[NH2+]Cc2ccccc2-n2nnc3ccccc32)cc(Br)c1OC ZINC001200283587 1067954732 /nfs/dbraw/zinc/95/47/32/1067954732.db2.gz YYHXFLBQAOFHQN-UHFFFAOYSA-N 1 0 453.340 4.490 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC001300249086 1067990931 /nfs/dbraw/zinc/99/09/31/1067990931.db2.gz LSPVMZPYGUUCDV-NRFANRHFSA-N 1 0 455.647 4.407 20 0 JIADRO CCCc1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)nn1-c1ccccc1F ZINC001358032342 1067995564 /nfs/dbraw/zinc/99/55/64/1067995564.db2.gz UDTWNSKPWSIWSN-UHFFFAOYSA-N 1 0 453.587 4.468 20 0 JIADRO COCCc1nnc(-c2cccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)c2)o1 ZINC001358032576 1067995652 /nfs/dbraw/zinc/99/56/52/1067995652.db2.gz YUFVGFWQBACQRN-UHFFFAOYSA-N 1 0 452.580 4.035 20 0 JIADRO Cc1nc(Br)sc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001358050045 1068003579 /nfs/dbraw/zinc/00/35/79/1068003579.db2.gz GDXRWRRICORJAC-UHFFFAOYSA-N 1 0 451.390 4.281 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001300253985 1068009867 /nfs/dbraw/zinc/00/98/67/1068009867.db2.gz NVMIPPJTPMRFKA-GOSISDBHSA-N 1 0 477.600 4.446 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492562128 1068013280 /nfs/dbraw/zinc/01/32/80/1068013280.db2.gz FZXBASJVZOEEJP-FKBYEOEOSA-N 1 0 482.673 4.477 20 0 JIADRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001353309666 1068020128 /nfs/dbraw/zinc/02/01/28/1068020128.db2.gz SRODRPJHQWEISR-OAQYLSRUSA-N 1 0 453.892 4.192 20 0 JIADRO CC(=O)N[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328770 1068028990 /nfs/dbraw/zinc/02/89/90/1068028990.db2.gz QXAIHZUKGHQSHN-AOMKIAJQSA-N 1 0 458.400 4.497 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300263752 1068031147 /nfs/dbraw/zinc/03/11/47/1068031147.db2.gz OHWHJTYZZTUPER-OALUTQOASA-N 1 0 484.670 4.387 20 0 JIADRO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001358150825 1068031791 /nfs/dbraw/zinc/03/17/91/1068031791.db2.gz SKXNYROAIAVKMV-TZBSWOFLSA-N 1 0 459.594 4.396 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCNC(=O)OC(C)(C)C ZINC001492563695 1068043823 /nfs/dbraw/zinc/04/38/23/1068043823.db2.gz JYRPRJHCJJSDCO-OAQYLSRUSA-N 1 0 468.646 4.090 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492563705 1068043884 /nfs/dbraw/zinc/04/38/84/1068043884.db2.gz KCQXDNDOALLHNJ-FGZHOGPDSA-N 1 0 480.701 4.494 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Oc4ccccc4Cl)nc3)cc21 ZINC001358210243 1068044855 /nfs/dbraw/zinc/04/48/55/1068044855.db2.gz JDRXDKSHXYKEJZ-UHFFFAOYSA-N 1 0 452.898 4.249 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(F)c(I)c1 ZINC001353346793 1068052321 /nfs/dbraw/zinc/05/23/21/1068052321.db2.gz ZRPFWRRLVOBNCD-UHFFFAOYSA-N 1 0 456.299 4.403 20 0 JIADRO COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)CCC2 ZINC001358268266 1068055436 /nfs/dbraw/zinc/05/54/36/1068055436.db2.gz FWFPQAXDLJVBCV-IBGZPJMESA-N 1 0 458.400 4.268 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300274168 1068056789 /nfs/dbraw/zinc/05/67/89/1068056789.db2.gz YQIQZDISDNZPCP-FGZHOGPDSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300276832 1068060479 /nfs/dbraw/zinc/06/04/79/1068060479.db2.gz CMOUJLZGZJDJRO-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300276834 1068060654 /nfs/dbraw/zinc/06/06/54/1068060654.db2.gz CMOUJLZGZJDJRO-OAQYLSRUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)C4(CCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300278053 1068064498 /nfs/dbraw/zinc/06/44/98/1068064498.db2.gz PHDNONDCVODGQR-FQEVSTJZSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001492564579 1068067458 /nfs/dbraw/zinc/06/74/58/1068067458.db2.gz MELDXCUCSQMTOG-UHFFFAOYSA-N 1 0 455.647 4.150 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492564944 1068073412 /nfs/dbraw/zinc/07/34/12/1068073412.db2.gz YCRPIQOHHCMQBX-LJQANCHMSA-N 1 0 465.564 4.268 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)n3)cc2F)CC1 ZINC001358357768 1068074026 /nfs/dbraw/zinc/07/40/26/1068074026.db2.gz VKKGDHAVTILQOL-UHFFFAOYSA-N 1 0 457.550 4.350 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc(C(=O)OC(C)(C)C)c1 ZINC001353386686 1068076839 /nfs/dbraw/zinc/07/68/39/1068076839.db2.gz BOAQGPAWMGEVEU-UHFFFAOYSA-N 1 0 451.567 4.028 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438509 1068091660 /nfs/dbraw/zinc/09/16/60/1068091660.db2.gz KBLDKFNDVLQULM-SUMWQHHRSA-N 1 0 452.190 4.462 20 0 JIADRO Cc1ccc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC001358451711 1068095097 /nfs/dbraw/zinc/09/50/97/1068095097.db2.gz TYURAAPRAZRVCP-UHFFFAOYSA-N 1 0 454.571 4.162 20 0 JIADRO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478746 1068102079 /nfs/dbraw/zinc/10/20/79/1068102079.db2.gz LOMDOBUQXZKNJJ-GHTZIAJQSA-N 1 0 455.986 4.015 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CC(C)(C)C(C)C)cc1 ZINC001300297714 1068131989 /nfs/dbraw/zinc/13/19/89/1068131989.db2.gz YDZMNIIHAKZTCL-UHFFFAOYSA-N 1 0 485.673 4.097 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300304099 1068153788 /nfs/dbraw/zinc/15/37/88/1068153788.db2.gz FCHDLTRFKLICNI-DBXWQHBBSA-N 1 0 481.563 4.232 20 0 JIADRO COC(=O)c1coc(/C=C/C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1 ZINC001353472115 1068175396 /nfs/dbraw/zinc/17/53/96/1068175396.db2.gz ZBWKTIJVFMKUGN-ZHACJKMWSA-N 1 0 459.546 4.349 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001353473099 1068178833 /nfs/dbraw/zinc/17/88/33/1068178833.db2.gz VAHYURZGRPQBIZ-QHCPKHFHSA-N 1 0 455.574 4.215 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)cc2s1 ZINC000497751196 1068191583 /nfs/dbraw/zinc/19/15/83/1068191583.db2.gz UYCRAVMTJRKMQV-UHFFFAOYSA-N 1 0 485.679 4.398 20 0 JIADRO O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001353503785 1068230264 /nfs/dbraw/zinc/23/02/64/1068230264.db2.gz MHFSAHDQDZJNDC-NHCUHLMSSA-N 1 0 457.546 4.319 20 0 JIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)cc1)C1CC1 ZINC000512617805 1068232193 /nfs/dbraw/zinc/23/21/93/1068232193.db2.gz GMWQTBRDVNZMGH-UHFFFAOYSA-N 1 0 454.372 4.326 20 0 JIADRO Cc1ccccc1NC(=O)Cc1nc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC001473545081 1068233541 /nfs/dbraw/zinc/23/35/41/1068233541.db2.gz ZKTUWZRYCFSMLQ-UHFFFAOYSA-N 1 0 454.562 4.481 20 0 JIADRO COc1ccc(CNC(=S)Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC001200360485 1068236284 /nfs/dbraw/zinc/23/62/84/1068236284.db2.gz VVIOHZOPCZCCKN-UHFFFAOYSA-N 1 0 466.651 4.272 20 0 JIADRO OC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC001473551521 1068244301 /nfs/dbraw/zinc/24/43/01/1068244301.db2.gz QTHJSCHRJWFUKD-AVRDEDQJSA-N 1 0 456.384 4.179 20 0 JIADRO Cc1ccccc1Nc1nc2sc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2s1 ZINC000513045331 1068244668 /nfs/dbraw/zinc/24/46/68/1068244668.db2.gz DIBUCWWFLSLWNM-UHFFFAOYSA-N 1 0 455.653 4.263 20 0 JIADRO OC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC001473551523 1068244756 /nfs/dbraw/zinc/24/47/56/1068244756.db2.gz QTHJSCHRJWFUKD-GCJKJVERSA-N 1 0 456.384 4.179 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC001300332615 1068283706 /nfs/dbraw/zinc/28/37/06/1068283706.db2.gz MLAVBDNEQBRJEG-UHFFFAOYSA-N 1 0 493.700 4.299 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001300335242 1068305745 /nfs/dbraw/zinc/30/57/45/1068305745.db2.gz ORWCVPXIANOASS-NRFANRHFSA-N 1 0 458.557 4.221 20 0 JIADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC001300335390 1068306591 /nfs/dbraw/zinc/30/65/91/1068306591.db2.gz RHZNBGCYRBPQDQ-UPVQGACJSA-N 1 0 498.672 4.268 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001300335897 1068309840 /nfs/dbraw/zinc/30/98/40/1068309840.db2.gz XCHMADPULKPWLS-JOCHJYFZSA-N 1 0 450.612 4.325 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001300335898 1068309974 /nfs/dbraw/zinc/30/99/74/1068309974.db2.gz XCHMADPULKPWLS-QFIPXVFZSA-N 1 0 450.612 4.325 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300338220 1068315397 /nfs/dbraw/zinc/31/53/97/1068315397.db2.gz AHININIADMRVOM-QHCPKHFHSA-N 1 0 452.603 4.488 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300338202 1068315606 /nfs/dbraw/zinc/31/56/06/1068315606.db2.gz ADXFCAKLDRZKEU-JOCHJYFZSA-N 1 0 498.672 4.351 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccccc1Cl ZINC000519950672 1068317991 /nfs/dbraw/zinc/31/79/91/1068317991.db2.gz KYZNODPWPJIEDH-FQEVSTJZSA-N 1 0 461.994 4.080 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339418 1068319385 /nfs/dbraw/zinc/31/93/85/1068319385.db2.gz HNVKOUABHPNVIH-JTHBVZDNSA-N 1 0 498.716 4.309 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3cccnc3)nnc2N2CCCC[C@@H](SC)C2)[NH+](C)C)c1 ZINC001300339421 1068319686 /nfs/dbraw/zinc/31/96/86/1068319686.db2.gz HOCWKEDCPVUQHK-RPWUZVMVSA-N 1 0 480.682 4.297 20 0 JIADRO COc1cccc([C@H](Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300339862 1068321051 /nfs/dbraw/zinc/32/10/51/1068321051.db2.gz JNALBGZGCIKKHU-QFIPXVFZSA-N 1 0 465.646 4.437 20 0 JIADRO Cn1ncc(C(F)(F)F)c1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001353558460 1068322488 /nfs/dbraw/zinc/32/24/88/1068322488.db2.gz FJZUDJQKTZYAPR-UHFFFAOYSA-N 1 0 457.500 4.009 20 0 JIADRO CC(C)(C)c1nnc(NC(=O)C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000616318292 1068327366 /nfs/dbraw/zinc/32/73/66/1068327366.db2.gz VTEQOCWNWNUMFJ-UHFFFAOYSA-N 1 0 477.634 4.353 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)CC2)[NH+]2CCCC2)c1 ZINC001300341477 1068328405 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COc1ccccc1-c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300518977 1068905163 /nfs/dbraw/zinc/90/51/63/1068905163.db2.gz UOILOTRVNVHLGG-VWLOTQADSA-N 1 0 487.714 4.423 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300520622 1068911272 /nfs/dbraw/zinc/91/12/72/1068911272.db2.gz KCRWUPXROCTRHI-FQEVSTJZSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300533592 1068949739 /nfs/dbraw/zinc/94/97/39/1068949739.db2.gz YOKJPSUVMVVSDX-QMHWCDLVSA-N 1 0 453.587 4.102 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300540200 1068969567 /nfs/dbraw/zinc/96/95/67/1068969567.db2.gz SKWVXEDBJRDNHQ-JTHBVZDNSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccon2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300540339 1068970742 /nfs/dbraw/zinc/97/07/42/1068970742.db2.gz UOOGKKBEASJQOI-KBMIEXCESA-N 1 0 452.603 4.012 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001200590846 1068973623 /nfs/dbraw/zinc/97/36/23/1068973623.db2.gz PSXSPXJLEYBQPR-IBGZPJMESA-N 1 0 452.437 4.403 20 0 JIADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(Br)c1OC ZINC001354209741 1068979795 /nfs/dbraw/zinc/97/97/95/1068979795.db2.gz KLAYEPVSAVQCKA-FZKQIMNGSA-N 1 0 453.402 4.341 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@H]1c1cccs1 ZINC001354210053 1068980523 /nfs/dbraw/zinc/98/05/23/1068980523.db2.gz NIUZRZJIODGNJD-YJYMSZOUSA-N 1 0 450.395 4.449 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300546867 1068986264 /nfs/dbraw/zinc/98/62/64/1068986264.db2.gz GZFQRCRRGALDPM-RXVVDRJESA-N 1 0 483.579 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300548540 1068991835 /nfs/dbraw/zinc/99/18/35/1068991835.db2.gz NTZIJISCWOTHFJ-GHTZIAJQSA-N 1 0 495.590 4.298 20 0 JIADRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC001354226171 1069001059 /nfs/dbraw/zinc/00/10/59/1069001059.db2.gz DJFLHDQNSVROBN-QFIPXVFZSA-N 1 0 455.624 4.020 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300553578 1069006078 /nfs/dbraw/zinc/00/60/78/1069006078.db2.gz UUSJEEVDUWCNSZ-ILBGXUMGSA-N 1 0 469.674 4.249 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492586944 1069017957 /nfs/dbraw/zinc/01/79/57/1069017957.db2.gz YWKMYEJYCQANFD-AREMUKBSSA-N 1 0 494.728 4.383 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001492571680 1069018894 /nfs/dbraw/zinc/01/88/94/1069018894.db2.gz GRJXSCMFOJRUJL-NRFANRHFSA-N 1 0 468.646 4.233 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492587442 1069024965 /nfs/dbraw/zinc/02/49/65/1069024965.db2.gz PZVOKIATRCWGNJ-NRFANRHFSA-N 1 0 496.700 4.355 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492587569 1069025313 /nfs/dbraw/zinc/02/53/13/1069025313.db2.gz VMAUORANKHITJN-UHFFFAOYSA-N 1 0 482.673 4.109 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492589908 1069044359 /nfs/dbraw/zinc/04/43/59/1069044359.db2.gz AUUZMNDJZCEKBH-SELNLUPBSA-N 1 0 463.642 4.342 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300564460 1069046872 /nfs/dbraw/zinc/04/68/72/1069046872.db2.gz QRUIYANHEFPYRS-OAQYLSRUSA-N 1 0 488.474 4.487 20 0 JIADRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849488334 1069053672 /nfs/dbraw/zinc/05/36/72/1069053672.db2.gz RNPDYTZFNCMKBJ-XZOQPEGZSA-N 1 0 474.634 4.028 20 0 JIADRO COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486654 1069053686 /nfs/dbraw/zinc/05/36/86/1069053686.db2.gz LLNACJMSEUYEJV-RPBOFIJWSA-N 1 0 476.621 4.138 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487893 1069053693 /nfs/dbraw/zinc/05/36/93/1069053693.db2.gz AYLRZVHURWLSHM-IRXDYDNUSA-N 1 0 464.422 4.448 20 0 JIADRO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849486656 1069053846 /nfs/dbraw/zinc/05/38/46/1069053846.db2.gz LLTSPUBMJGXXJG-GOTSBHOMSA-N 1 0 482.650 4.153 20 0 JIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849492399 1069058526 /nfs/dbraw/zinc/05/85/26/1069058526.db2.gz FAZGJGHCFOUQLQ-GOTSBHOMSA-N 1 0 475.641 4.166 20 0 JIADRO COc1cc(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490831 1069058532 /nfs/dbraw/zinc/05/85/32/1069058532.db2.gz KTZFRKDWFOABKB-KAYWLYCHSA-N 1 0 482.669 4.123 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849491988 1069059550 /nfs/dbraw/zinc/05/95/50/1069059550.db2.gz BKIYPVZVPFIFJV-GTQSFZMJSA-N 1 0 468.671 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849491535 1069060261 /nfs/dbraw/zinc/06/02/61/1069060261.db2.gz YXFBKLFNQVMCKY-DQEYMECFSA-N 1 0 450.558 4.482 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1(c2cccc(Br)c2)CCCC1 ZINC001300567489 1069061360 /nfs/dbraw/zinc/06/13/60/1069061360.db2.gz SPIGGXBPOFINMR-JOCHJYFZSA-N 1 0 457.412 4.144 20 0 JIADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849494307 1069063841 /nfs/dbraw/zinc/06/38/41/1069063841.db2.gz SPBICADWPOJCPG-UKILVPOCSA-N 1 0 473.621 4.111 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849494987 1069065860 /nfs/dbraw/zinc/06/58/60/1069065860.db2.gz ZNUSYOBTUZZUFO-IAGOWNOFSA-N 1 0 458.912 4.467 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497410 1069068613 /nfs/dbraw/zinc/06/86/13/1069068613.db2.gz NXPQDUKOTUTZAP-UXHICEINSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497812 1069069704 /nfs/dbraw/zinc/06/97/04/1069069704.db2.gz QPHIRRXFLFYLEB-SFTDATJTSA-N 1 0 477.422 4.327 20 0 JIADRO Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498521 1069070463 /nfs/dbraw/zinc/07/04/63/1069070463.db2.gz AULXXNYQLCAHKN-DNQXCXABSA-N 1 0 456.594 4.496 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498876 1069070470 /nfs/dbraw/zinc/07/04/70/1069070470.db2.gz BJJMYYZKHCJINN-VXNXHJTFSA-N 1 0 498.096 4.086 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849500128 1069072263 /nfs/dbraw/zinc/07/22/63/1069072263.db2.gz GPSGSVKXEJRZFD-ZEQRLZLVSA-N 1 0 459.594 4.433 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501312 1069073075 /nfs/dbraw/zinc/07/30/75/1069073075.db2.gz UPMOPXOLRNNTMP-XZOQPEGZSA-N 1 0 493.583 4.273 20 0 JIADRO Cc1ccccc1[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001492574167 1069074033 /nfs/dbraw/zinc/07/40/33/1069074033.db2.gz MKAJGYVICPGPBW-NAKRPHOHSA-N 1 0 499.700 4.324 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cn1 ZINC000849503458 1069079487 /nfs/dbraw/zinc/07/94/87/1069079487.db2.gz YAAKRTSLGZJCCM-IAGOWNOFSA-N 1 0 481.519 4.460 20 0 JIADRO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849503463 1069079567 /nfs/dbraw/zinc/07/95/67/1069079567.db2.gz YAVPFBUUIYPRAG-VJGNERBWSA-N 1 0 494.680 4.210 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504258 1069081261 /nfs/dbraw/zinc/08/12/61/1069081261.db2.gz BSWZGHKSIGMCES-DHIUTWEWSA-N 1 0 457.018 4.009 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849504259 1069081320 /nfs/dbraw/zinc/08/13/20/1069081320.db2.gz BSWZGHKSIGMCES-GOTSBHOMSA-N 1 0 457.018 4.009 20 0 JIADRO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849504892 1069083171 /nfs/dbraw/zinc/08/31/71/1069083171.db2.gz GEZKOODYCWDACR-PKTZIBPZSA-N 1 0 459.594 4.433 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506162 1069085374 /nfs/dbraw/zinc/08/53/74/1069085374.db2.gz VBMGPLRPSHJXQR-UNMCSNQZSA-N 1 0 472.033 4.152 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849505951 1069086190 /nfs/dbraw/zinc/08/61/90/1069086190.db2.gz KRHQLONKQASURM-UIOOFZCWSA-N 1 0 473.621 4.111 20 0 JIADRO Cc1cc(CN(C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc(C)c1OCC(F)(F)F ZINC000849505984 1069086285 /nfs/dbraw/zinc/08/62/85/1069086285.db2.gz LBBSNSGKUIKPEG-FCHUYYIVSA-N 1 0 480.575 4.451 20 0 JIADRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849507232 1069087018 /nfs/dbraw/zinc/08/70/18/1069087018.db2.gz PPUBVQMDQYZYNS-NOZRDPDXSA-N 1 0 462.642 4.004 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849505770 1069087267 /nfs/dbraw/zinc/08/72/67/1069087267.db2.gz JKLWGWQVDDWFQU-HKBOAZHASA-N 1 0 461.006 4.084 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849508178 1069088979 /nfs/dbraw/zinc/08/89/79/1069088979.db2.gz SQWWLOHDSHRDDC-DHIUTWEWSA-N 1 0 492.586 4.117 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507913 1069089800 /nfs/dbraw/zinc/08/98/00/1069089800.db2.gz RSAMHBCGZQCDED-RPWUZVMVSA-N 1 0 452.549 4.418 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508630 1069090697 /nfs/dbraw/zinc/09/06/97/1069090697.db2.gz AHPGOSVECDCTTK-CTNGQTDRSA-N 1 0 485.510 4.365 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCC(C)(C)C ZINC001300573795 1069091389 /nfs/dbraw/zinc/09/13/89/1069091389.db2.gz UIVKYOAXNHVJEZ-UHFFFAOYSA-N 1 0 455.647 4.005 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849511369 1069092947 /nfs/dbraw/zinc/09/29/47/1069092947.db2.gz YGYCFNCCDPUZHJ-DQLDELGASA-N 1 0 452.521 4.053 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511027 1069094794 /nfs/dbraw/zinc/09/47/94/1069094794.db2.gz WRZLRSOEPDUMEG-LOSJGSFVSA-N 1 0 452.643 4.261 20 0 JIADRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849512216 1069095163 /nfs/dbraw/zinc/09/51/63/1069095163.db2.gz BIJFNJDFTNQVGG-RMUDUWAUSA-N 1 0 460.622 4.124 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849511710 1069096596 /nfs/dbraw/zinc/09/65/96/1069096596.db2.gz SUKCPAIBVIPMFC-JWQCQUIFSA-N 1 0 465.642 4.069 20 0 JIADRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)C1 ZINC001300576503 1069102203 /nfs/dbraw/zinc/10/22/03/1069102203.db2.gz ZXCNVFOOFRLJLX-PUHATCMVSA-N 1 0 459.631 4.026 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517396 1069102598 /nfs/dbraw/zinc/10/25/98/1069102598.db2.gz NKMONDQTDSWGLL-NHCUHLMSSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516634 1069104056 /nfs/dbraw/zinc/10/40/56/1069104056.db2.gz LDYQWBLUMMTAQC-FTJBHMTQSA-N 1 0 457.622 4.435 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516691 1069104366 /nfs/dbraw/zinc/10/43/66/1069104366.db2.gz ABPCVSXYEXCAQT-VXKWHMMOSA-N 1 0 485.510 4.365 20 0 JIADRO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516670 1069104416 /nfs/dbraw/zinc/10/44/16/1069104416.db2.gz LTRNWKUKTISSNM-KWTBFXGESA-N 1 0 460.622 4.090 20 0 JIADRO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517849 1069106641 /nfs/dbraw/zinc/10/66/41/1069106641.db2.gz PIPMYIZILGYNCM-DHIUTWEWSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849517501 1069107961 /nfs/dbraw/zinc/10/79/61/1069107961.db2.gz CYMGCXPNLOGRKJ-DHIUTWEWSA-N 1 0 481.641 4.018 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518813 1069108745 /nfs/dbraw/zinc/10/87/45/1069108745.db2.gz HMNUVKLNCACKFE-FGZHOGPDSA-N 1 0 452.580 4.153 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518635 1069111118 /nfs/dbraw/zinc/11/11/18/1069111118.db2.gz SGTHKYLCTRWBNK-SFTDATJTSA-N 1 0 474.531 4.136 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520095 1069111750 /nfs/dbraw/zinc/11/17/50/1069111750.db2.gz XRWZTLPVBKJHAA-VQTJNVASSA-N 1 0 455.006 4.231 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521810 1069115170 /nfs/dbraw/zinc/11/51/70/1069115170.db2.gz VHYKHDOOADURSZ-LEWJYISDSA-N 1 0 464.532 4.325 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849522905 1069115706 /nfs/dbraw/zinc/11/57/06/1069115706.db2.gz QAOHSWPPEINELS-SFTDATJTSA-N 1 0 465.623 4.115 20 0 JIADRO Cc1cc(C)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1I ZINC001354337811 1069121420 /nfs/dbraw/zinc/12/14/20/1069121420.db2.gz AAXUQTRTVXATDE-SFHVURJKSA-N 1 0 452.336 4.458 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849529795 1069133142 /nfs/dbraw/zinc/13/31/42/1069133142.db2.gz KBSWCAGNNWTEJG-NHCUHLMSSA-N 1 0 457.688 4.394 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849529797 1069133822 /nfs/dbraw/zinc/13/38/22/1069133822.db2.gz KBSWCAGNNWTEJG-SFTDATJTSA-N 1 0 457.688 4.394 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)s2)c1 ZINC000504228137 1069147176 /nfs/dbraw/zinc/14/71/76/1069147176.db2.gz LXYIQRMWSCPNIJ-ROUUACIJSA-N 1 0 481.622 4.068 20 0 JIADRO COc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001300598096 1069178264 /nfs/dbraw/zinc/17/82/64/1069178264.db2.gz FTTSJQVLIKKTGC-UHFFFAOYSA-N 1 0 496.681 4.179 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300598385 1069179798 /nfs/dbraw/zinc/17/97/98/1069179798.db2.gz MCVATGFBKUBKEH-LJQANCHMSA-N 1 0 468.671 4.399 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849547166 1069183907 /nfs/dbraw/zinc/18/39/07/1069183907.db2.gz FVTQMRCKSYVAEN-XZOQPEGZSA-N 1 0 481.641 4.166 20 0 JIADRO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300600198 1069185950 /nfs/dbraw/zinc/18/59/50/1069185950.db2.gz VRAPZFOVWCVVHV-VWNXMTODSA-N 1 0 455.647 4.149 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849546627 1069186103 /nfs/dbraw/zinc/18/61/03/1069186103.db2.gz CQGLJBPGDHSDAV-WUFINQPMSA-N 1 0 490.648 4.350 20 0 JIADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849547555 1069187258 /nfs/dbraw/zinc/18/72/58/1069187258.db2.gz GJHSGHQSHNIGCV-FGZHOGPDSA-N 1 0 499.457 4.438 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849550959 1069190957 /nfs/dbraw/zinc/19/09/57/1069190957.db2.gz AKMLIPOPTSEZCV-NMNUPHIUSA-N 1 0 469.630 4.458 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)cc2Oc2ccccc2)cn1 ZINC000849550510 1069192014 /nfs/dbraw/zinc/19/20/14/1069192014.db2.gz XZNFTYUETWWTPT-FCHUYYIVSA-N 1 0 483.410 4.327 20 0 JIADRO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551957 1069193295 /nfs/dbraw/zinc/19/32/95/1069193295.db2.gz LRJHEWIZJROEDX-UTSGNWPNSA-N 1 0 452.986 4.023 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553363 1069195089 /nfs/dbraw/zinc/19/50/89/1069195089.db2.gz JDNAUUMYGYIQCO-HFMPRLQTSA-N 1 0 470.589 4.361 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554168 1069197212 /nfs/dbraw/zinc/19/72/12/1069197212.db2.gz UZLSIKRBZZAAPQ-WOJBJXKFSA-N 1 0 458.488 4.252 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554020 1069198461 /nfs/dbraw/zinc/19/84/61/1069198461.db2.gz LFHBPTNJBBMLMA-YADHBBJMSA-N 1 0 473.459 4.236 20 0 JIADRO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849556106 1069201795 /nfs/dbraw/zinc/20/17/95/1069201795.db2.gz VMBZHNCQPZTUCP-RTWAWAEBSA-N 1 0 472.593 4.220 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849558376 1069204640 /nfs/dbraw/zinc/20/46/40/1069204640.db2.gz MXLSAHNLJSTTHZ-ZSQFBXSQSA-N 1 0 499.659 4.450 20 0 JIADRO COc1cccc(C(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557832 1069204809 /nfs/dbraw/zinc/20/48/09/1069204809.db2.gz KAZOHRCKWMRVJY-CLJLJLNGSA-N 1 0 476.621 4.157 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849562359 1069210154 /nfs/dbraw/zinc/21/01/54/1069210154.db2.gz NLJOOVXBNOZYLC-IRXDYDNUSA-N 1 0 475.367 4.459 20 0 JIADRO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849560956 1069210295 /nfs/dbraw/zinc/21/02/95/1069210295.db2.gz CLABSGLRVNVNHK-BJKOFHAPSA-N 1 0 490.604 4.238 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)c2ccccc21 ZINC001200662666 1069210731 /nfs/dbraw/zinc/21/07/31/1069210731.db2.gz NRLSIWGPGFUPPI-SFHVURJKSA-N 1 0 486.632 4.251 20 0 JIADRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000849563175 1069211989 /nfs/dbraw/zinc/21/19/89/1069211989.db2.gz PPMBMACMYIVNMG-VXNXHJTFSA-N 1 0 454.659 4.461 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849564329 1069213030 /nfs/dbraw/zinc/21/30/30/1069213030.db2.gz USXTUBIPLQTGQZ-DNQXCXABSA-N 1 0 489.705 4.310 20 0 JIADRO CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849565290 1069215295 /nfs/dbraw/zinc/21/52/95/1069215295.db2.gz SRHLYRBXLBIAHO-GMAHTHKFSA-N 1 0 453.631 4.133 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849565344 1069215559 /nfs/dbraw/zinc/21/55/59/1069215559.db2.gz SVWJTXSHKZUQDB-DQEYMECFSA-N 1 0 480.603 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849565948 1069216398 /nfs/dbraw/zinc/21/63/98/1069216398.db2.gz XOOWPSUBCVRJLC-LEWJYISDSA-N 1 0 499.413 4.218 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849567371 1069217971 /nfs/dbraw/zinc/21/79/71/1069217971.db2.gz GTNIICMPHAVXCF-BVSLBCMMSA-N 1 0 459.034 4.205 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568410 1069219599 /nfs/dbraw/zinc/21/95/99/1069219599.db2.gz NYNKAVNSVIVIPJ-GMQQYTKMSA-N 1 0 492.067 4.043 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569678 1069220886 /nfs/dbraw/zinc/22/08/86/1069220886.db2.gz VPGIMNTWPIGKIV-LEWJYISDSA-N 1 0 476.968 4.483 20 0 JIADRO CCc1noc(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571873 1069223614 /nfs/dbraw/zinc/22/36/14/1069223614.db2.gz JBENINGBMIWTDP-QZTJIDSGSA-N 1 0 456.978 4.139 20 0 JIADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849574813 1069228295 /nfs/dbraw/zinc/22/82/95/1069228295.db2.gz AFTQRTYGVWIDEK-FSSWDIPSSA-N 1 0 475.475 4.476 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849579633 1069231742 /nfs/dbraw/zinc/23/17/42/1069231742.db2.gz XVZLERUDAACZMF-MSOLQXFVSA-N 1 0 498.263 4.075 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579616 1069231956 /nfs/dbraw/zinc/23/19/56/1069231956.db2.gz XQWOWMHFZCSYFH-PWRODBHTSA-N 1 0 463.395 4.015 20 0 JIADRO CCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582499 1069233055 /nfs/dbraw/zinc/23/30/55/1069233055.db2.gz NLRKRVZHZGFBQN-RTWAWAEBSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849583930 1069234803 /nfs/dbraw/zinc/23/48/03/1069234803.db2.gz VJECJCQSHJJOGN-VQTJNVASSA-N 1 0 471.443 4.465 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849586588 1069238087 /nfs/dbraw/zinc/23/80/87/1069238087.db2.gz QFDRGPHXBDPAHF-LEAZDLGRSA-N 1 0 477.422 4.198 20 0 JIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587394 1069238565 /nfs/dbraw/zinc/23/85/65/1069238565.db2.gz IDRYXRKDBKYBJK-RTBURBONSA-N 1 0 484.398 4.352 20 0 JIADRO COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588083 1069239632 /nfs/dbraw/zinc/23/96/32/1069239632.db2.gz PIOAOEUVIPNJBA-RPBOFIJWSA-N 1 0 468.642 4.080 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849590389 1069241081 /nfs/dbraw/zinc/24/10/81/1069241081.db2.gz YHYKDWHGTSVXOH-VQTJNVASSA-N 1 0 488.474 4.258 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590861 1069242807 /nfs/dbraw/zinc/24/28/07/1069242807.db2.gz ANBWYZHTCCPCNM-JVPBZIDWSA-N 1 0 451.384 4.013 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492576453 1069243368 /nfs/dbraw/zinc/24/33/68/1069243368.db2.gz STACIRCBJIZLDW-NRFANRHFSA-N 1 0 463.674 4.429 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849592204 1069244958 /nfs/dbraw/zinc/24/49/58/1069244958.db2.gz KERUOGCBQGFBGI-LSDHHAIUSA-N 1 0 457.775 4.428 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849593852 1069246467 /nfs/dbraw/zinc/24/64/67/1069246467.db2.gz DIJYBFHWBNPBEA-BRKWEVRTSA-N 1 0 459.432 4.059 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849595504 1069247316 /nfs/dbraw/zinc/24/73/16/1069247316.db2.gz XXWXXSLPOJVUBJ-SFTDATJTSA-N 1 0 467.614 4.022 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849596200 1069248489 /nfs/dbraw/zinc/24/84/89/1069248489.db2.gz LQHPQSWSMNRWPM-WBAXXEDZSA-N 1 0 451.384 4.013 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595837 1069249844 /nfs/dbraw/zinc/24/98/44/1069249844.db2.gz JICKYDOYZBOWFW-LEWJYISDSA-N 1 0 462.985 4.146 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000849595755 1069250001 /nfs/dbraw/zinc/25/00/01/1069250001.db2.gz KWQSIBKHGPDFIL-ZJOUEHCJSA-N 1 0 450.549 4.248 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849596865 1069253172 /nfs/dbraw/zinc/25/31/72/1069253172.db2.gz PWRYIKWBJPCAFB-CZTZKLFOSA-N 1 0 473.459 4.436 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849598023 1069253969 /nfs/dbraw/zinc/25/39/69/1069253969.db2.gz WWZYYRGOQJYTNM-UIOOFZCWSA-N 1 0 485.632 4.005 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599234 1069255038 /nfs/dbraw/zinc/25/50/38/1069255038.db2.gz MBXVGTZYAVSTFG-PMACEKPBSA-N 1 0 473.459 4.236 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599235 1069255232 /nfs/dbraw/zinc/25/52/32/1069255232.db2.gz MBXVGTZYAVSTFG-UXHICEINSA-N 1 0 473.459 4.236 20 0 JIADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)cc1 ZINC001200677730 1069255732 /nfs/dbraw/zinc/25/57/32/1069255732.db2.gz CWKBQZCYSIAGEW-UHFFFAOYSA-N 1 0 450.649 4.491 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849601419 1069256864 /nfs/dbraw/zinc/25/68/64/1069256864.db2.gz VKGXWJQTGAEEPQ-DNQXCXABSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849603790 1069261092 /nfs/dbraw/zinc/26/10/92/1069261092.db2.gz GXDUPQSOGNBZFC-DHIUTWEWSA-N 1 0 456.594 4.340 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849604590 1069261294 /nfs/dbraw/zinc/26/12/94/1069261294.db2.gz DHSAHHZBMOVFMJ-FGZHOGPDSA-N 1 0 478.559 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849605921 1069262784 /nfs/dbraw/zinc/26/27/84/1069262784.db2.gz KMBLWAIIQTZIES-HZPDHXFCSA-N 1 0 486.785 4.131 20 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COc1ccccc1OCc1nnc(N(C)CC(C)(C)C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300627951 1069265738 /nfs/dbraw/zinc/26/57/38/1069265738.db2.gz PPPVHWASXJASCO-UHFFFAOYSA-N 1 0 473.662 4.237 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000849610498 1069266953 /nfs/dbraw/zinc/26/69/53/1069266953.db2.gz JSRQLYAPNFZGGD-IEIRFRATSA-N 1 0 455.027 4.345 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCc1nc(-c3ccncc3)cs1)CCO2 ZINC001200681275 1069267478 /nfs/dbraw/zinc/26/74/78/1069267478.db2.gz GMRFBVNOKAXGJV-LJQANCHMSA-N 1 0 458.628 4.286 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611275 1069268711 /nfs/dbraw/zinc/26/87/11/1069268711.db2.gz VXXLOHLBTHVZOK-OLZOCXBDSA-N 1 0 466.430 4.042 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492577433 1069280585 /nfs/dbraw/zinc/28/05/85/1069280585.db2.gz QVBSZSZZGWHMBV-NRFANRHFSA-N 1 0 452.672 4.433 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300637718 1069295296 /nfs/dbraw/zinc/29/52/96/1069295296.db2.gz SZXPUVYDXDPWDC-KRWDZBQOSA-N 1 0 467.536 4.129 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164389743 718824778 /nfs/dbraw/zinc/82/47/78/718824778.db2.gz JMSUUBQWZZWJEW-RBUKOAKNSA-N 1 0 469.680 4.219 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164389736 718825028 /nfs/dbraw/zinc/82/50/28/718825028.db2.gz JMSUUBQWZZWJEW-MOPGFXCFSA-N 1 0 469.680 4.219 20 0 JIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415527 718885948 /nfs/dbraw/zinc/88/59/48/718885948.db2.gz JBPFMRAHOTVUII-UHFFFAOYSA-N 1 0 481.938 4.186 20 0 JIADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164420319 718891419 /nfs/dbraw/zinc/89/14/19/718891419.db2.gz UDEZSSNQZNVIKW-LJQANCHMSA-N 1 0 464.944 4.390 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164617173 719007971 /nfs/dbraw/zinc/00/79/71/719007971.db2.gz MRFPQOHNPIJRIM-OPAMFIHVSA-N 1 0 482.934 4.117 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617834 719017773 /nfs/dbraw/zinc/01/77/73/719017773.db2.gz QDGQEDDUIKQNPY-WDSOQIARSA-N 1 0 497.690 4.136 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC2)CC1 ZINC001164616448 719035013 /nfs/dbraw/zinc/03/50/13/719035013.db2.gz CJMNIMHTJXRMEW-UHFFFAOYSA-N 1 0 452.329 4.057 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)ccc-3c2=O)cc1 ZINC001164629029 719095343 /nfs/dbraw/zinc/09/53/43/719095343.db2.gz QBAMQMROZKCRQZ-HOFKKMOUSA-N 1 0 468.601 4.347 20 0 JIADRO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1OC ZINC001164628023 719105689 /nfs/dbraw/zinc/10/56/89/719105689.db2.gz LVCMJQTWHGGTTE-OFNKIYASSA-N 1 0 460.578 4.270 20 0 JIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccc(Cl)cc3)C[C@@H]2CF)CC1 ZINC001164624627 719119399 /nfs/dbraw/zinc/11/93/99/719119399.db2.gz VABMRVLXMVWJBO-XJKSGUPXSA-N 1 0 489.325 4.199 20 0 JIADRO C[C@@H]1CN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)[C@@H](C)C[N@@H+]1C ZINC001164643590 719235547 /nfs/dbraw/zinc/23/55/47/719235547.db2.gz ZKSWTFVBNIJRHM-YADHBBJMSA-N 1 0 464.635 4.002 20 0 JIADRO O=S(=O)(c1ccccc1)N(c1nc(Cl)ccc1CN1CCCC1)[C@@H]1CCC12CC[NH2+]CC2 ZINC001164684601 719592329 /nfs/dbraw/zinc/59/23/29/719592329.db2.gz IKBVZJVXWXIYLT-OAQYLSRUSA-N 1 0 475.058 4.058 20 0 JIADRO CC(C)N(C)Cc1nn(-c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)c2c1CC[NH2+]C2 ZINC001164679437 719644653 /nfs/dbraw/zinc/64/46/53/719644653.db2.gz ALHMMTTZEPNAMK-UHFFFAOYSA-N 1 0 451.018 4.347 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cccnc3Cl)CC2)c2ccccc21 ZINC001164680989 719656323 /nfs/dbraw/zinc/65/63/23/719656323.db2.gz KTCUJDNSYZJDBC-GOSISDBHSA-N 1 0 476.999 4.373 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c(Cl)cccc43)CC2)c2ccccc21 ZINC001164684503 719661589 /nfs/dbraw/zinc/66/15/89/719661589.db2.gz XQBDXPUELRCAGG-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3CCCCC4)CC2)c2ccccc21 ZINC001164680392 719666631 /nfs/dbraw/zinc/66/66/31/719666631.db2.gz DNDNTXWEBYGRPQ-FQEVSTJZSA-N 1 0 496.099 4.492 20 0 JIADRO CCOc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681058 719667092 /nfs/dbraw/zinc/66/70/92/719667092.db2.gz JCLTZCWLMNQXHN-IBGZPJMESA-N 1 0 471.045 4.227 20 0 JIADRO Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681917 719671274 /nfs/dbraw/zinc/67/12/74/719671274.db2.gz OHIZWJYLKUJLKP-HXUWFJFHSA-N 1 0 455.046 4.445 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4[nH]ccc4cc3Cl)CC2)c2ccccc21 ZINC001164685595 719672055 /nfs/dbraw/zinc/67/20/55/719672055.db2.gz VMYOWFYGOXTWPT-LJQANCHMSA-N 1 0 466.029 4.261 20 0 JIADRO COc1ccc2ccnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680500 719674449 /nfs/dbraw/zinc/67/44/49/719674449.db2.gz GQKPLQYWYAEWJF-JOCHJYFZSA-N 1 0 472.633 4.337 20 0 JIADRO COc1ccccc1-c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681913 719678210 /nfs/dbraw/zinc/67/82/10/719678210.db2.gz OFSQPBQSZVLLOT-QFIPXVFZSA-N 1 0 499.659 4.246 20 0 JIADRO CC(C)Sc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680305 719679037 /nfs/dbraw/zinc/67/90/37/719679037.db2.gz CRFBZYJEMAEKOG-HXUWFJFHSA-N 1 0 467.683 4.071 20 0 JIADRO Cc1cc2ccncc2nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164688279 719680852 /nfs/dbraw/zinc/68/08/52/719680852.db2.gz ZYOSGTRMYVRNKI-QFIPXVFZSA-N 1 0 457.622 4.032 20 0 JIADRO CCc1cc2c(ccnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC001164685810 719683013 /nfs/dbraw/zinc/68/30/13/719683013.db2.gz MLDXSABQEGHLRX-FQEVSTJZSA-N 1 0 460.622 4.484 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)CC2 ZINC001164689842 719739032 /nfs/dbraw/zinc/73/90/32/719739032.db2.gz LMKHGBLWMMBXPV-UHFFFAOYSA-N 1 0 456.015 4.193 20 0 JIADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692221 719804827 /nfs/dbraw/zinc/80/48/27/719804827.db2.gz LQMVCIYJFKZKDK-UHFFFAOYSA-N 1 0 451.596 4.206 20 0 JIADRO Cc1cc2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc(N3CCOCC3)c2s1 ZINC001164693071 719810578 /nfs/dbraw/zinc/81/05/78/719810578.db2.gz PQMGLESMUYWPEV-UHFFFAOYSA-N 1 0 484.695 4.236 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(Oc4ccc(S(C)(=O)=O)cc4)n2)CC3)cs1 ZINC001164693083 719811691 /nfs/dbraw/zinc/81/16/91/719811691.db2.gz UGQQABCVJGQFQI-UHFFFAOYSA-N 1 0 499.662 4.072 20 0 JIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697111 719897210 /nfs/dbraw/zinc/89/72/10/719897210.db2.gz JVBDFIHOUMXTBQ-UHFFFAOYSA-N 1 0 465.957 4.156 20 0 JIADRO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1)C1CC1 ZINC001164697733 719897743 /nfs/dbraw/zinc/89/77/43/719897743.db2.gz OVTJCYQHPSSXFH-QFIPXVFZSA-N 1 0 455.624 4.071 20 0 JIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC3)C2)c1 ZINC001164706631 719899514 /nfs/dbraw/zinc/89/95/14/719899514.db2.gz JKECTBRWFKEYRJ-UHFFFAOYSA-N 1 0 478.618 4.238 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164707737 719901481 /nfs/dbraw/zinc/90/14/81/719901481.db2.gz WXXVZOZDGVDEHX-UHFFFAOYSA-N 1 0 466.607 4.094 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164710301 720094713 /nfs/dbraw/zinc/09/47/13/720094713.db2.gz IITSIPDEWOZRPE-INIZCTEOSA-N 1 0 461.397 4.167 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164711057 720096582 /nfs/dbraw/zinc/09/65/82/720096582.db2.gz NTDIXNOFWYCMPW-FQEVSTJZSA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164719498 720118960 /nfs/dbraw/zinc/11/89/60/720118960.db2.gz XNSBZVIKFACIEC-NRFANRHFSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164717383 720119269 /nfs/dbraw/zinc/11/92/69/720119269.db2.gz ODJDJUHBRSJNBA-HXUWFJFHSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164714848 720120084 /nfs/dbraw/zinc/12/00/84/720120084.db2.gz CLKITSVRIKMATM-VWLOTQADSA-N 1 0 471.605 4.236 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164715489 720122284 /nfs/dbraw/zinc/12/22/84/720122284.db2.gz GELIVBLNDKDZMD-LJQANCHMSA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714256 720123927 /nfs/dbraw/zinc/12/39/27/720123927.db2.gz BEUPBVYOIUNOFX-VWLOTQADSA-N 1 0 482.632 4.382 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164712617 720131346 /nfs/dbraw/zinc/13/13/46/720131346.db2.gz NVJZODPKUABWKQ-QHCPKHFHSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712722 720138472 /nfs/dbraw/zinc/13/84/72/720138472.db2.gz OQQMJQCXHMOJFE-DQEYMECFSA-N 1 0 478.637 4.041 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164713593 720143487 /nfs/dbraw/zinc/14/34/87/720143487.db2.gz SKDSWLSJBUOHNS-IBGZPJMESA-N 1 0 477.987 4.455 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164712067 720151425 /nfs/dbraw/zinc/15/14/25/720151425.db2.gz KKGGVHFLYFMROK-HSZRJFAPSA-N 1 0 489.620 4.488 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164712483 720155140 /nfs/dbraw/zinc/15/51/40/720155140.db2.gz MPEOTZYUJCUTHL-QFIPXVFZSA-N 1 0 461.585 4.494 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814195 720198874 /nfs/dbraw/zinc/19/88/74/720198874.db2.gz UDYIKVYIGAZNAN-MHECFPHRSA-N 1 0 458.990 4.116 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164828947 720324891 /nfs/dbraw/zinc/32/48/91/720324891.db2.gz KRKLAHWKCMFGEO-UXHICEINSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164823243 720336014 /nfs/dbraw/zinc/33/60/14/720336014.db2.gz ABHUQCMMKVPNIF-HZPDHXFCSA-N 1 0 481.802 4.498 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164824196 720337290 /nfs/dbraw/zinc/33/72/90/720337290.db2.gz HMTCCZAHLIWLBR-FGZHOGPDSA-N 1 0 479.625 4.409 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164829403 720337826 /nfs/dbraw/zinc/33/78/26/720337826.db2.gz SBZWLXCQYSUIBR-DHIUTWEWSA-N 1 0 491.661 4.278 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164830748 720340588 /nfs/dbraw/zinc/34/05/88/720340588.db2.gz WUJMIBBEMOKHKQ-YADHBBJMSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001164823524 720351574 /nfs/dbraw/zinc/35/15/74/720351574.db2.gz GSJOOEMHTCWHNK-SVBPBHIXSA-N 1 0 485.632 4.120 20 0 JIADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1 ZINC001164735927 720440217 /nfs/dbraw/zinc/44/02/17/720440217.db2.gz ZOKVAPQARXKRDF-LEWJYISDSA-N 1 0 454.603 4.490 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1 ZINC001164839975 720503068 /nfs/dbraw/zinc/50/30/68/720503068.db2.gz UYVOBBLLLHZBTK-VPBXCIAMSA-N 1 0 454.659 4.263 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1 ZINC001164730697 720518105 /nfs/dbraw/zinc/51/81/05/720518105.db2.gz SKCXPJDYCHMTCF-KRWDZBQOSA-N 1 0 462.985 4.353 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840605 720520249 /nfs/dbraw/zinc/52/02/49/720520249.db2.gz WWHPQRQVNKVUCJ-TZRRMPRUSA-N 1 0 493.055 4.239 20 0 JIADRO CC(C)(C)N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734930 720544731 /nfs/dbraw/zinc/54/47/31/720544731.db2.gz LLSXPHAMOHBIPN-LJQANCHMSA-N 1 0 456.034 4.162 20 0 JIADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734119 720554425 /nfs/dbraw/zinc/55/44/25/720554425.db2.gz VIMVOYMCWAKNKG-UHFFFAOYSA-N 1 0 484.604 4.072 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164837361 720568660 /nfs/dbraw/zinc/56/86/60/720568660.db2.gz LZTDFDAITLSWSE-QRFRQXIXSA-N 1 0 471.968 4.031 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736947 720583102 /nfs/dbraw/zinc/58/31/02/720583102.db2.gz WOOJKHZZOFWLSW-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO COc1ccccc1-c1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)nn1 ZINC001164738694 720595990 /nfs/dbraw/zinc/59/59/90/720595990.db2.gz CQFSCQWUMMUZPJ-UHFFFAOYSA-N 1 0 488.970 4.206 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]21 ZINC001164838722 720608689 /nfs/dbraw/zinc/60/86/89/720608689.db2.gz KZXHXFRLAOJNNE-ZWOKBUDYSA-N 1 0 450.965 4.127 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@@H]21 ZINC001164838772 720632649 /nfs/dbraw/zinc/63/26/49/720632649.db2.gz LSDVJKLHMQDYHG-DXIQSLLYSA-N 1 0 459.623 4.328 20 0 JIADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737780 720660501 /nfs/dbraw/zinc/66/05/01/720660501.db2.gz GXQJGEZYIIAPNN-ZWKOTPCHSA-N 1 0 476.943 4.221 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844504 720687139 /nfs/dbraw/zinc/68/71/39/720687139.db2.gz SPQDBPCDWVEITR-SFHVURJKSA-N 1 0 479.955 4.326 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842323 720702761 /nfs/dbraw/zinc/70/27/61/720702761.db2.gz YGNBZUWKWGAIPA-XMMPIXPASA-N 1 0 487.648 4.276 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837676 720711922 /nfs/dbraw/zinc/71/19/22/720711922.db2.gz GFVFLCPARXEVHG-SFHVURJKSA-N 1 0 479.955 4.326 20 0 JIADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843435 720741367 /nfs/dbraw/zinc/74/13/67/720741367.db2.gz JQOBRYZCZUSOOX-UHFFFAOYSA-N 1 0 481.938 4.186 20 0 JIADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745374 720757787 /nfs/dbraw/zinc/75/77/87/720757787.db2.gz VIJJCIARLVMBSO-MSOLQXFVSA-N 1 0 464.982 4.144 20 0 JIADRO O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccccc1 ZINC001164847455 720769181 /nfs/dbraw/zinc/76/91/81/720769181.db2.gz MKQNZMUMXNVWHN-NHCUHLMSSA-N 1 0 458.940 4.431 20 0 JIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740648 720824556 /nfs/dbraw/zinc/82/45/56/720824556.db2.gz KIBGIDGJUXVLHV-RCZSKKKRSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747519 720840303 /nfs/dbraw/zinc/84/03/03/720840303.db2.gz RBFLOOAVSNRZBG-KGVIQGDOSA-N 1 0 472.971 4.404 20 0 JIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164753046 720857849 /nfs/dbraw/zinc/85/78/49/720857849.db2.gz VOPBEMOALAZERA-JAXLGGSGSA-N 1 0 456.038 4.149 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749620 720860924 /nfs/dbraw/zinc/86/09/24/720860924.db2.gz NWOHBITYNPDTJA-FBBABVLZSA-N 1 0 462.976 4.128 20 0 JIADRO FC(F)(c1cccnc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749178 720870614 /nfs/dbraw/zinc/87/06/14/720870614.db2.gz HPHZQAXDCOLHJB-NFBKMPQASA-N 1 0 462.972 4.430 20 0 JIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754441 720872880 /nfs/dbraw/zinc/87/28/80/720872880.db2.gz RUBYRYIOPRAURZ-REWPJTCUSA-N 1 0 477.987 4.133 20 0 JIADRO FC(F)(Oc1cccnc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755444 720879868 /nfs/dbraw/zinc/87/98/68/720879868.db2.gz WYQNSCTVAKFFKY-OFNKIYASSA-N 1 0 478.971 4.310 20 0 JIADRO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755265 720881280 /nfs/dbraw/zinc/88/12/80/720881280.db2.gz VNASTVASFNHTLC-WXVAWEFUSA-N 1 0 461.585 4.227 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753206 720882106 /nfs/dbraw/zinc/88/21/06/720882106.db2.gz GDCVUTPAZUXMTH-ATIYNZHBSA-N 1 0 497.734 4.495 20 0 JIADRO Clc1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755078 720883543 /nfs/dbraw/zinc/88/35/43/720883543.db2.gz KOOXACNFTHYXMN-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@H]2C1 ZINC001164863612 720884061 /nfs/dbraw/zinc/88/40/61/720884061.db2.gz SQOVRTFODOVFLF-KKSFZXQISA-N 1 0 469.935 4.260 20 0 JIADRO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2cccnc2n1 ZINC001164757125 720886448 /nfs/dbraw/zinc/88/64/48/720886448.db2.gz SQFNRSLDJQOACT-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757512 720887489 /nfs/dbraw/zinc/88/74/89/720887489.db2.gz VKYJAJSCVXMSNV-URXFXBBRSA-N 1 0 492.998 4.352 20 0 JIADRO CCc1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164755413 720888145 /nfs/dbraw/zinc/88/81/45/720888145.db2.gz LYLWPHDRHSVMSF-QFQXNSOFSA-N 1 0 463.651 4.404 20 0 JIADRO CCc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755412 720888339 /nfs/dbraw/zinc/88/83/39/720888339.db2.gz LYLWPHDRHSVMSF-LVXARBLLSA-N 1 0 463.651 4.404 20 0 JIADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752607 720891647 /nfs/dbraw/zinc/89/16/47/720891647.db2.gz FLGMQBNAUGZTAE-CVDCTZTESA-N 1 0 477.987 4.012 20 0 JIADRO CCOc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164757421 720893051 /nfs/dbraw/zinc/89/30/51/720893051.db2.gz ULADAOKFOUYDCE-NEKDWFFYSA-N 1 0 473.621 4.179 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164750857 720893977 /nfs/dbraw/zinc/89/39/77/720893977.db2.gz CBVXCTJLHVVWKV-NTKDMRAZSA-N 1 0 485.057 4.198 20 0 JIADRO Clc1ccnc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164757808 720895403 /nfs/dbraw/zinc/89/54/03/720895403.db2.gz VQWXCCMHQIPGHW-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2occc21 ZINC001164758431 720897777 /nfs/dbraw/zinc/89/77/77/720897777.db2.gz YAMOAEPMTZQZDE-CYFREDJKSA-N 1 0 453.974 4.026 20 0 JIADRO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164857927 720898395 /nfs/dbraw/zinc/89/83/95/720898395.db2.gz KVQGLKVSDSMAHC-VIZCGCQYSA-N 1 0 482.628 4.198 20 0 JIADRO CC(C)COc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756275 720902023 /nfs/dbraw/zinc/90/20/23/720902023.db2.gz PAFRFGRPMYOBPI-IGKIAQTJSA-N 1 0 450.627 4.267 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164751381 720904202 /nfs/dbraw/zinc/90/42/02/720904202.db2.gz LTGOTVBPYRXNHF-FQRUVTKNSA-N 1 0 481.044 4.324 20 0 JIADRO Clc1ccnc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754452 720904313 /nfs/dbraw/zinc/90/43/13/720904313.db2.gz IZROZFJAGBCQEB-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749157 720907197 /nfs/dbraw/zinc/90/71/97/720907197.db2.gz HZWKHEGETWGZDH-XXBNENTESA-N 1 0 460.047 4.002 20 0 JIADRO COc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164752936 720912578 /nfs/dbraw/zinc/91/25/78/720912578.db2.gz PNAFERYFUHFIBX-IRPSRAIASA-N 1 0 485.632 4.302 20 0 JIADRO Fc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752730 720920305 /nfs/dbraw/zinc/92/03/05/720920305.db2.gz OPHRSFBKONWZEC-FIPFOOKPSA-N 1 0 473.596 4.433 20 0 JIADRO Fc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750527 720920475 /nfs/dbraw/zinc/92/04/75/720920475.db2.gz JTGZRJKRFKJNOK-UFHPHHKVSA-N 1 0 473.596 4.433 20 0 JIADRO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753648 720932404 /nfs/dbraw/zinc/93/24/04/720932404.db2.gz RWHNUOZRYXMDSF-OFNKIYASSA-N 1 0 478.971 4.310 20 0 JIADRO Clc1cc(-c2ccncc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755252 720935253 /nfs/dbraw/zinc/93/52/53/720935253.db2.gz ZZATYIJHMKLYAP-HOFKKMOUSA-N 1 0 491.039 4.342 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)n1 ZINC001164760799 721041283 /nfs/dbraw/zinc/04/12/83/721041283.db2.gz DFVWKBPISPNTHD-UHFFFAOYSA-N 1 0 490.681 4.225 20 0 JIADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868169 721067780 /nfs/dbraw/zinc/06/77/80/721067780.db2.gz NKMMXBYWTVGCTL-RTWAWAEBSA-N 1 0 473.527 4.450 20 0 JIADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862780 721095530 /nfs/dbraw/zinc/09/55/30/721095530.db2.gz AIIHLUMGMCOPQI-IAGOWNOFSA-N 1 0 480.346 4.356 20 0 JIADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870262 721136751 /nfs/dbraw/zinc/13/67/51/721136751.db2.gz CDKLKUNOQCUHNJ-KBPBESRZSA-N 1 0 463.743 4.461 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877034 721144909 /nfs/dbraw/zinc/14/49/09/721144909.db2.gz OETRALBQHGDDIX-FGZHOGPDSA-N 1 0 480.682 4.025 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880692 721149001 /nfs/dbraw/zinc/14/90/01/721149001.db2.gz XCRGIUOBYSXGQX-VQTJNVASSA-N 1 0 471.939 4.217 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765695 721160481 /nfs/dbraw/zinc/16/04/81/721160481.db2.gz KCNIEELVUDJVSR-OALUTQOASA-N 1 0 458.944 4.034 20 0 JIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164878905 721164445 /nfs/dbraw/zinc/16/44/45/721164445.db2.gz QUMZKRQGZHYUGH-FCHUYYIVSA-N 1 0 487.629 4.379 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879141 721176303 /nfs/dbraw/zinc/17/63/03/721176303.db2.gz RXNLUDLJNJCTCM-LSDHHAIUSA-N 1 0 462.850 4.173 20 0 JIADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164878631 721184876 /nfs/dbraw/zinc/18/48/76/721184876.db2.gz QTNPKABRCYXMFK-QUCCMNQESA-N 1 0 472.376 4.450 20 0 JIADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164868489 721192340 /nfs/dbraw/zinc/19/23/40/721192340.db2.gz NCGODPSSRPNVBH-ROUUACIJSA-N 1 0 489.929 4.356 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@@H]3C2)cn1 ZINC001164772846 721205854 /nfs/dbraw/zinc/20/58/54/721205854.db2.gz VMYLHVRPPZTHLX-MOPGFXCFSA-N 1 0 458.944 4.034 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164870130 721224977 /nfs/dbraw/zinc/22/49/77/721224977.db2.gz FRSBNYLCDGNVAP-RPWUZVMVSA-N 1 0 479.669 4.115 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3C2)cn1 ZINC001164770957 721226216 /nfs/dbraw/zinc/22/62/16/721226216.db2.gz PIZNXGHKXPZWMT-RTBURBONSA-N 1 0 458.944 4.034 20 0 JIADRO COc1cc2c(cc1Cl)ncnc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779382 721351489 /nfs/dbraw/zinc/35/14/89/721351489.db2.gz SVRXYQFACWAIHU-XMMPIXPASA-N 1 0 471.989 4.016 20 0 JIADRO O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccsc1 ZINC001164881651 721360686 /nfs/dbraw/zinc/36/06/86/721360686.db2.gz FSUXMOMVBQYRBJ-ZWKOTPCHSA-N 1 0 450.942 4.102 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164785220 721364349 /nfs/dbraw/zinc/36/43/49/721364349.db2.gz SPBKMOBERWIJRJ-RUZDIDTESA-N 1 0 471.602 4.152 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891337 721422756 /nfs/dbraw/zinc/42/27/56/721422756.db2.gz VKFFSZVVOCWWDD-OSPHWJPCSA-N 1 0 479.452 4.316 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897851 721425981 /nfs/dbraw/zinc/42/59/81/721425981.db2.gz UUKFGADQZKPJFH-WZONZLPQSA-N 1 0 464.988 4.199 20 0 JIADRO Cc1sc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1-c1ccccc1 ZINC001164893834 721434710 /nfs/dbraw/zinc/43/47/10/721434710.db2.gz KVLNIVIJBSRLFS-CUNXSJBXSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C3)O2)CC1 ZINC001164892261 721442499 /nfs/dbraw/zinc/44/24/99/721442499.db2.gz HUGFBWFDGKQFDF-IQGLISFBSA-N 1 0 488.101 4.113 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C3)O2)CC1 ZINC001164885354 721448536 /nfs/dbraw/zinc/44/85/36/721448536.db2.gz DJMGDMTZWOJYCK-GBXCKJPGSA-N 1 0 492.451 4.341 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164790032 721458376 /nfs/dbraw/zinc/45/83/76/721458376.db2.gz ZBNOTTPSMLWETR-SFHVURJKSA-N 1 0 461.956 4.153 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164784997 721461412 /nfs/dbraw/zinc/46/14/12/721461412.db2.gz LEDYAECQHHNEFY-LJQANCHMSA-N 1 0 475.033 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164782402 721461847 /nfs/dbraw/zinc/46/18/47/721461847.db2.gz AOWYQZXDPMCDSM-LJQANCHMSA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164789232 721462386 /nfs/dbraw/zinc/46/23/86/721462386.db2.gz VZDZKFMFIYVJJD-FQEVSTJZSA-N 1 0 494.076 4.424 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164791692 721466912 /nfs/dbraw/zinc/46/69/12/721466912.db2.gz XPPYRTAURCEQOP-XMMPIXPASA-N 1 0 487.648 4.426 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)cc3)nn1)CC2 ZINC001164788801 721466998 /nfs/dbraw/zinc/46/69/98/721466998.db2.gz LEBONKVWMNQKMY-DEOSSOPVSA-N 1 0 450.627 4.186 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164790644 721467790 /nfs/dbraw/zinc/46/77/90/721467790.db2.gz TVBZEWJPCTVZMO-DEOSSOPVSA-N 1 0 464.654 4.494 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164788744 721467997 /nfs/dbraw/zinc/46/79/97/721467997.db2.gz JIAVURCNRCHFBN-LJQANCHMSA-N 1 0 485.019 4.286 20 0 JIADRO c1cn2c(n1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@H](COCc1ccccn1)C2 ZINC001164893290 721469012 /nfs/dbraw/zinc/46/90/12/721469012.db2.gz SLAFPQHQACNMQT-XMMPIXPASA-N 1 0 480.616 4.085 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164791852 721469617 /nfs/dbraw/zinc/46/96/17/721469617.db2.gz ZWYHMHWPODABSU-QHCPKHFHSA-N 1 0 454.590 4.017 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164789476 721471674 /nfs/dbraw/zinc/47/16/74/721471674.db2.gz NDSPRJPNBDUGGD-XMMPIXPASA-N 1 0 468.617 4.325 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164792604 721491337 /nfs/dbraw/zinc/49/13/37/721491337.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 1 0 468.649 4.311 20 0 JIADRO COC(=O)c1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c2ccccc2c1OC ZINC001164796337 721502027 /nfs/dbraw/zinc/50/20/27/721502027.db2.gz QLOULSUZFBVSSO-UHFFFAOYSA-N 1 0 460.578 4.306 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4ccc(F)cc4)c2)CC3)CC1 ZINC001164796529 721520862 /nfs/dbraw/zinc/52/08/62/721520862.db2.gz ZLCVCXIZVDDAIU-UHFFFAOYSA-N 1 0 490.961 4.050 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164900554 721523383 /nfs/dbraw/zinc/52/33/83/721523383.db2.gz SFZXVEPOKLDPHK-RBBKRZOGSA-N 1 0 479.987 4.127 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164904304 721551875 /nfs/dbraw/zinc/55/18/75/721551875.db2.gz DVLRZCQKJAGLFX-IEBWSBKVSA-N 1 0 475.902 4.218 20 0 JIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905536 721584591 /nfs/dbraw/zinc/58/45/91/721584591.db2.gz JRGKFSKAIGYKQZ-QGZVFWFLSA-N 1 0 464.294 4.461 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164908567 721708034 /nfs/dbraw/zinc/70/80/34/721708034.db2.gz YAAUAPBTHHNOQU-LJQANCHMSA-N 1 0 450.946 4.181 20 0 JIADRO FC1(F)CCN(c2nc(Cl)ccc2CN2CCCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907637 721710129 /nfs/dbraw/zinc/71/01/29/721710129.db2.gz SFBHYJQOFREGHE-HSZRJFAPSA-N 1 0 461.988 4.464 20 0 JIADRO Cc1nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)c1C ZINC001164908078 721713360 /nfs/dbraw/zinc/71/33/60/721713360.db2.gz VFXFBMVNZBBRJC-IBGZPJMESA-N 1 0 457.903 4.424 20 0 JIADRO COC(=O)C[C@H](c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906678 721722163 /nfs/dbraw/zinc/72/21/63/721722163.db2.gz NWFHFRYTLFXMSE-DHLKQENFSA-N 1 0 470.564 4.271 20 0 JIADRO COc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164907668 721722686 /nfs/dbraw/zinc/72/26/86/721722686.db2.gz SLTNNMNXRBPBDN-DEOSSOPVSA-N 1 0 451.521 4.285 20 0 JIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)C1 ZINC001164906550 721723102 /nfs/dbraw/zinc/72/31/02/721723102.db2.gz MTVLROQYQXSVGW-CPJSRVTESA-N 1 0 469.580 4.086 20 0 JIADRO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCc2ccccc21 ZINC001164906982 721723356 /nfs/dbraw/zinc/72/33/56/721723356.db2.gz PDYYNFCJKLCAOA-HHHXNRCGSA-N 1 0 489.570 4.417 20 0 JIADRO COc1ccccc1-c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909123 721726652 /nfs/dbraw/zinc/72/66/52/721726652.db2.gz BYKNVYXBWOFUGY-XMMPIXPASA-N 1 0 451.521 4.285 20 0 JIADRO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164910530 721731217 /nfs/dbraw/zinc/73/12/17/721731217.db2.gz FSIIPXOCXHPSEZ-DEOSSOPVSA-N 1 0 452.505 4.154 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001165011622 721740595 /nfs/dbraw/zinc/74/05/95/721740595.db2.gz ZQDDZZVGWNDXEM-UHFFFAOYSA-N 1 0 464.013 4.473 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001165010564 721744555 /nfs/dbraw/zinc/74/45/55/721744555.db2.gz OPSZKBQHGKVXHD-UHFFFAOYSA-N 1 0 453.587 4.020 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165017901 721807666 /nfs/dbraw/zinc/80/76/66/721807666.db2.gz BBWFOAIMCGNOEE-YSSFQJQWSA-N 1 0 464.944 4.198 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027056 721829242 /nfs/dbraw/zinc/82/92/42/721829242.db2.gz RKIWSAAQBBIZJI-HDYLNDSGSA-N 1 0 472.637 4.254 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC001165023098 721843753 /nfs/dbraw/zinc/84/37/53/721843753.db2.gz XFTKCEATHVJUIG-UHFFFAOYSA-N 1 0 487.044 4.479 20 0 JIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5CCN(C)C)c23)C1 ZINC001164932639 721879426 /nfs/dbraw/zinc/87/94/26/721879426.db2.gz JVKLHPMQTOYRLY-CEMLEFRQSA-N 1 0 482.742 4.017 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165037178 721900050 /nfs/dbraw/zinc/90/00/50/721900050.db2.gz KUCABRYEPSPFBR-DHIUTWEWSA-N 1 0 464.654 4.340 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940505 721924703 /nfs/dbraw/zinc/92/47/03/721924703.db2.gz SELOJGARIXKHDR-UHFFFAOYSA-N 1 0 458.002 4.400 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CC3)C2)cc1 ZINC001164941050 721925833 /nfs/dbraw/zinc/92/58/33/721925833.db2.gz ZSRHYAYHCYKHOS-OAQYLSRUSA-N 1 0 497.043 4.359 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)CC3)C2)cc1 ZINC001164938610 721930558 /nfs/dbraw/zinc/93/05/58/721930558.db2.gz APICQZBYBBRPCU-UHFFFAOYSA-N 1 0 492.624 4.485 20 0 JIADRO Cc1nc2c(cc(-c3nc(N4CC[NH+](CCc5ccccn5)CC4)ncc3F)cc2F)n1C(C)C ZINC001165056607 722012980 /nfs/dbraw/zinc/01/29/80/722012980.db2.gz YEUROXGRIDOPTN-UHFFFAOYSA-N 1 0 477.563 4.421 20 0 JIADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955216 722019834 /nfs/dbraw/zinc/01/98/34/722019834.db2.gz AJASAZLRWAEARL-CSKARUKUSA-N 1 0 491.636 4.140 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164955277 722021591 /nfs/dbraw/zinc/02/15/91/722021591.db2.gz CWISSYBGJVJKRB-UHFFFAOYSA-N 1 0 465.623 4.372 20 0 JIADRO Clc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963780 722055051 /nfs/dbraw/zinc/05/50/51/722055051.db2.gz KMOMDSLKAKFKKY-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO Fc1cccc(Cn2ccc3c2ncnc3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963202 722056953 /nfs/dbraw/zinc/05/69/53/722056953.db2.gz ILKKPLQCYXGTIK-UHFFFAOYSA-N 1 0 486.595 4.133 20 0 JIADRO Clc1cccc2nc(Cl)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc12 ZINC001164966849 722061423 /nfs/dbraw/zinc/06/14/23/722061423.db2.gz XXGURANILUNENP-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164975115 722111361 /nfs/dbraw/zinc/11/13/61/722111361.db2.gz JSMQHQUQMONWQW-BVAGGSTKSA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164976530 722113498 /nfs/dbraw/zinc/11/34/98/722113498.db2.gz LSGMHYCGLGNIGM-UIOOFZCWSA-N 1 0 478.600 4.328 20 0 JIADRO c1ccc(Cc2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc23)cc1 ZINC001164978892 722138266 /nfs/dbraw/zinc/13/82/66/722138266.db2.gz KKQJUMLUYPGULV-UFHPHHKVSA-N 1 0 465.601 4.343 20 0 JIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985103 722140570 /nfs/dbraw/zinc/14/05/70/722140570.db2.gz ZHXKVNRWANMYLH-WHSBFGAESA-N 1 0 472.637 4.131 20 0 JIADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164992874 722196716 /nfs/dbraw/zinc/19/67/16/722196716.db2.gz BQNILMZQXQEEFZ-SANMLTNESA-N 1 0 491.592 4.052 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(N4CCN(c5ccccc5)CC4)nn2)C3)c1 ZINC001164995360 722208403 /nfs/dbraw/zinc/20/84/03/722208403.db2.gz MJQAKXPOSGZWHT-NDEPHWFRSA-N 1 0 472.612 4.187 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(N4CCN(c5ccccc5)CC4)ncn2)C3)c1 ZINC001164997973 722210607 /nfs/dbraw/zinc/21/06/07/722210607.db2.gz UAAORPIJRQHBNS-MUUNZHRXSA-N 1 0 472.612 4.187 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CCC2 ZINC001165002210 722253957 /nfs/dbraw/zinc/25/39/57/722253957.db2.gz LHIYGIRKTOSWAR-UHFFFAOYSA-N 1 0 485.366 4.167 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CCC2 ZINC001165003407 722256475 /nfs/dbraw/zinc/25/64/75/722256475.db2.gz CBXVFZRHXBTFSH-UHFFFAOYSA-N 1 0 460.557 4.121 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165005799 722270501 /nfs/dbraw/zinc/27/05/01/722270501.db2.gz KDQBEAZXOLJUAO-SQHAQQRYSA-N 1 0 465.617 4.085 20 0 JIADRO C[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009752 722274067 /nfs/dbraw/zinc/27/40/67/722274067.db2.gz QZBNINKNHUCURZ-GJPZQIGFSA-N 1 0 497.643 4.438 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300646013 1069318738 /nfs/dbraw/zinc/31/87/38/1069318738.db2.gz FHEGRBHXYYTHBD-QZTJIDSGSA-N 1 0 475.540 4.243 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300646012 1069318793 /nfs/dbraw/zinc/31/87/93/1069318793.db2.gz FHEGRBHXYYTHBD-MSOLQXFVSA-N 1 0 475.540 4.243 20 0 JIADRO O=C(c1cccc(Br)n1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545463 1069320527 /nfs/dbraw/zinc/32/05/27/1069320527.db2.gz LYPCDDKACZXFCL-MRXNPFEDSA-N 1 0 456.306 4.371 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+](C)C ZINC001300648085 1069325360 /nfs/dbraw/zinc/32/53/60/1069325360.db2.gz RLDQBMDYUMEGMY-QGZVFWFLSA-N 1 0 469.552 4.232 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492593086 1069325476 /nfs/dbraw/zinc/32/54/76/1069325476.db2.gz BEOHUDTTYTZZGC-UHFFFAOYSA-N 1 0 480.682 4.336 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001300652036 1069338335 /nfs/dbraw/zinc/33/83/35/1069338335.db2.gz JRUJVRJAERAHGT-PMACEKPBSA-N 1 0 459.610 4.315 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300658421 1069361197 /nfs/dbraw/zinc/36/11/97/1069361197.db2.gz DRGNGMPZEXEFQR-QPPBQGQZSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300658604 1069361899 /nfs/dbraw/zinc/36/18/99/1069361899.db2.gz GLQYRUDRMBYSBD-ZJSXRUAMSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300659410 1069364253 /nfs/dbraw/zinc/36/42/53/1069364253.db2.gz YFMJTMSUGKPLRH-IDISGSTGSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001300659633 1069364958 /nfs/dbraw/zinc/36/49/58/1069364958.db2.gz DEEIWJIPKLLKIO-PMACEKPBSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300660831 1069370569 /nfs/dbraw/zinc/37/05/69/1069370569.db2.gz JTFBHYDWJXFYCJ-SFTDATJTSA-N 1 0 487.689 4.278 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300661871 1069375827 /nfs/dbraw/zinc/37/58/27/1069375827.db2.gz VWLJXCSLRKJXHD-KDYSTLNUSA-N 1 0 478.641 4.374 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300663082 1069381022 /nfs/dbraw/zinc/38/10/22/1069381022.db2.gz WBGCQOYFGGVVIK-WIOYSNFSSA-N 1 0 471.646 4.164 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359347316 1069419751 /nfs/dbraw/zinc/41/97/51/1069419751.db2.gz IURKWYUVPSQALO-WVLWKRQNSA-N 1 0 464.658 4.174 20 0 JIADRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(I)c(Br)cc2F)C1(C)C ZINC001200732879 1069427666 /nfs/dbraw/zinc/42/76/66/1069427666.db2.gz DBJUPTFRKFQCBV-UKRRQHHQSA-N 1 0 456.137 4.486 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1(O)CCCCC1 ZINC001300677577 1069432528 /nfs/dbraw/zinc/43/25/28/1069432528.db2.gz YYUAYORPWHGDSQ-UHFFFAOYSA-N 1 0 473.687 4.241 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001354646092 1069447238 /nfs/dbraw/zinc/44/72/38/1069447238.db2.gz MHPJKQFSNABMLJ-JTHBVZDNSA-N 1 0 455.599 4.460 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359361468 1069452798 /nfs/dbraw/zinc/45/27/98/1069452798.db2.gz CVJDNXDBPIHREG-NOZRDPDXSA-N 1 0 480.701 4.137 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359375271 1069481478 /nfs/dbraw/zinc/48/14/78/1069481478.db2.gz HBNSBDQMIRRYSJ-OAQYLSRUSA-N 1 0 473.046 4.022 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359375409 1069481893 /nfs/dbraw/zinc/48/18/93/1069481893.db2.gz MGLDQDVQNMKMAX-HXUWFJFHSA-N 1 0 473.065 4.169 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001359380834 1069485594 /nfs/dbraw/zinc/48/55/94/1069485594.db2.gz TZJNJCURFMYTOA-QPPBQGQZSA-N 1 0 470.706 4.136 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359382881 1069487583 /nfs/dbraw/zinc/48/75/83/1069487583.db2.gz PCUGUVPKMUVBJT-GMAHTHKFSA-N 1 0 496.700 4.356 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001359394684 1069498984 /nfs/dbraw/zinc/49/89/84/1069498984.db2.gz BKYPEQWUQBQHTB-TZRRMPRUSA-N 1 0 494.728 4.267 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001359395306 1069499698 /nfs/dbraw/zinc/49/96/98/1069499698.db2.gz SYVFGEDDCJINHK-IWHLBADBSA-N 1 0 480.701 4.021 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359411572 1069527659 /nfs/dbraw/zinc/52/76/59/1069527659.db2.gz QENUWRRWVAWWLQ-XPPIMPSXSA-N 1 0 496.059 4.180 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359411650 1069528102 /nfs/dbraw/zinc/52/81/02/1069528102.db2.gz SGVKLJBCACLOKX-VNXZQDSDSA-N 1 0 475.081 4.458 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001359412042 1069530546 /nfs/dbraw/zinc/53/05/46/1069530546.db2.gz HJOOHPCWCKTYHL-UHFFFAOYSA-N 1 0 484.664 4.480 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359412406 1069531548 /nfs/dbraw/zinc/53/15/48/1069531548.db2.gz WCXFGKKUOJZONR-XPJNUEMQSA-N 1 0 484.645 4.332 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(C3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359412940 1069532897 /nfs/dbraw/zinc/53/28/97/1069532897.db2.gz LUVVNWKEDJZHQZ-LXKSKSEUSA-N 1 0 466.674 4.340 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001359413985 1069536548 /nfs/dbraw/zinc/53/65/48/1069536548.db2.gz TXFMKKRKMWOTSR-UHFFFAOYSA-N 1 0 480.701 4.394 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359414171 1069536742 /nfs/dbraw/zinc/53/67/42/1069536742.db2.gz BBGFSPTXKLFCBX-OIEGUCRUSA-N 1 0 480.701 4.069 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(CC3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001359414273 1069537149 /nfs/dbraw/zinc/53/71/49/1069537149.db2.gz FBDAKEBLRCYYMC-UHFFFAOYSA-N 1 0 466.674 4.004 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359416174 1069540766 /nfs/dbraw/zinc/54/07/66/1069540766.db2.gz ZTJMWPAINUUKJF-ICDZXHCJSA-N 1 0 496.700 4.260 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001359423223 1069547429 /nfs/dbraw/zinc/54/74/29/1069547429.db2.gz DYINJLTWNLPPOW-DEOSSOPVSA-N 1 0 496.700 4.233 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359424888 1069549941 /nfs/dbraw/zinc/54/99/41/1069549941.db2.gz OIJBEHIOGOMVNA-JTHBVZDNSA-N 1 0 484.714 4.104 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359425950 1069551602 /nfs/dbraw/zinc/55/16/02/1069551602.db2.gz QUQLNZIHYFKJMI-OFNKIYASSA-N 1 0 494.640 4.036 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359426587 1069552654 /nfs/dbraw/zinc/55/26/54/1069552654.db2.gz NDMAVHBICBNILX-HXUWFJFHSA-N 1 0 473.046 4.068 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001359436209 1069564451 /nfs/dbraw/zinc/56/44/51/1069564451.db2.gz KZCDMZOTUYBYEN-YADHBBJMSA-N 1 0 470.662 4.039 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359439297 1069569591 /nfs/dbraw/zinc/56/95/91/1069569591.db2.gz RSFPIZRSPWRCII-WXFUMESZSA-N 1 0 490.737 4.058 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359439728 1069569979 /nfs/dbraw/zinc/56/99/79/1069569979.db2.gz BJZJCDZDNORWSW-RUZDIDTESA-N 1 0 466.674 4.056 20 0 JIADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359490621 1069694774 /nfs/dbraw/zinc/69/47/74/1069694774.db2.gz XSVAPOPKPWKAKG-PKTZIBPZSA-N 1 0 488.721 4.307 20 0 JIADRO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001359495738 1069727878 /nfs/dbraw/zinc/72/78/78/1069727878.db2.gz XLLRKEBFGZASMA-RUZDIDTESA-N 1 0 476.065 4.087 20 0 JIADRO CC(C)(C)[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001359496787 1069733773 /nfs/dbraw/zinc/73/37/73/1069733773.db2.gz YDJIFEXNIDOZPW-MHZLTWQESA-N 1 0 451.659 4.357 20 0 JIADRO CC(C)(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359503080 1069768818 /nfs/dbraw/zinc/76/88/18/1069768818.db2.gz GHDAUWGGLKRETL-QFIPXVFZSA-N 1 0 459.601 4.370 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359505209 1069775651 /nfs/dbraw/zinc/77/56/51/1069775651.db2.gz SWKHKVJJAOZZCF-HNNXBMFYSA-N 1 0 456.582 4.411 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCC(=O)N1CCCCC1 ZINC001359510674 1069789397 /nfs/dbraw/zinc/78/93/97/1069789397.db2.gz YVJOESIVGURPON-QFIPXVFZSA-N 1 0 458.695 4.071 20 0 JIADRO CC(C)(C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1ccc(Br)s1 ZINC001359515767 1069802325 /nfs/dbraw/zinc/80/23/25/1069802325.db2.gz GNDMGFLJHVUDPH-HNNXBMFYSA-N 1 0 452.466 4.317 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001359520508 1069808087 /nfs/dbraw/zinc/80/80/87/1069808087.db2.gz HGEVDPOUFIZHOD-BJKOFHAPSA-N 1 0 453.675 4.173 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359522257 1069810159 /nfs/dbraw/zinc/81/01/59/1069810159.db2.gz PJYNXNBUQVRSIX-SFHVURJKSA-N 1 0 464.079 4.432 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(OC(F)F)cc1 ZINC001359537659 1069833145 /nfs/dbraw/zinc/83/31/45/1069833145.db2.gz KIJHWLZTHKXLIA-FQEVSTJZSA-N 1 0 477.600 4.065 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359537590 1069832751 /nfs/dbraw/zinc/83/27/51/1069832751.db2.gz FYCCGTDHPVKZMV-UHFFFAOYSA-N 1 0 484.664 4.090 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359538071 1069833679 /nfs/dbraw/zinc/83/36/79/1069833679.db2.gz BTODIMAIROWHKC-QFIPXVFZSA-N 1 0 487.737 4.294 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359539456 1069836397 /nfs/dbraw/zinc/83/63/97/1069836397.db2.gz ILMBJBMMYRAIRG-MJGOQNOKSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359539457 1069836505 /nfs/dbraw/zinc/83/65/05/1069836505.db2.gz ILMBJBMMYRAIRG-PKOBYXMFSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001359543634 1069842427 /nfs/dbraw/zinc/84/24/27/1069842427.db2.gz IOJIHAGHUMJUAX-FGZHOGPDSA-N 1 0 486.705 4.258 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCc1ccccc1F ZINC001359541378 1069838807 /nfs/dbraw/zinc/83/88/07/1069838807.db2.gz XYQOKJHZOSUEGR-UHFFFAOYSA-N 1 0 485.570 4.340 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1(C)C ZINC001300794510 1069845735 /nfs/dbraw/zinc/84/57/35/1069845735.db2.gz FAYRHJYEOFRPAC-NNMXDRDESA-N 1 0 459.610 4.150 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CC1 ZINC001359545874 1069849351 /nfs/dbraw/zinc/84/93/51/1069849351.db2.gz JEHLWDDJMHDBBH-UHFFFAOYSA-N 1 0 485.032 4.061 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2COCCO2)CC1 ZINC001359546344 1069849990 /nfs/dbraw/zinc/84/99/90/1069849990.db2.gz ADBXSKXCCALAIC-LJQANCHMSA-N 1 0 480.028 4.101 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCCC2)CC1 ZINC001359547316 1069852403 /nfs/dbraw/zinc/85/24/03/1069852403.db2.gz KYORGTOACOVQPQ-NHCUHLMSSA-N 1 0 461.695 4.060 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOCC2CCOCC2)CC1 ZINC001359546623 1069850827 /nfs/dbraw/zinc/85/08/27/1069850827.db2.gz LBWGSGBJQUZEOF-UHFFFAOYSA-N 1 0 461.695 4.327 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCOc2ncccc2Cl)CC1 ZINC001359546867 1069851286 /nfs/dbraw/zinc/85/12/86/1069851286.db2.gz SRMPDWQUORIXCF-UHFFFAOYSA-N 1 0 470.021 4.026 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)CC1 ZINC001359547756 1069853878 /nfs/dbraw/zinc/85/38/78/1069853878.db2.gz BCNKEGRZMXVWNZ-UHFFFAOYSA-N 1 0 473.515 4.486 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001359548222 1069854708 /nfs/dbraw/zinc/85/47/08/1069854708.db2.gz RZGAQDVHLDKZJL-GOSISDBHSA-N 1 0 466.552 4.292 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2Br)CC1 ZINC001359548145 1069854742 /nfs/dbraw/zinc/85/47/42/1069854742.db2.gz PMJCWSYCPASZNT-LJQANCHMSA-N 1 0 476.463 4.294 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCCCCC2)CC1 ZINC001359548680 1069855949 /nfs/dbraw/zinc/85/59/49/1069855949.db2.gz LYLCUPYXLOAODT-UHFFFAOYSA-N 1 0 469.674 4.296 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001359548715 1069856144 /nfs/dbraw/zinc/85/61/44/1069856144.db2.gz NMEJZTGJVRCBDQ-PZJWPPBQSA-N 1 0 476.065 4.372 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001359548723 1069856179 /nfs/dbraw/zinc/85/61/79/1069856179.db2.gz OBQCFLDWANRYBI-ROUUACIJSA-N 1 0 493.578 4.215 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001359549591 1069857460 /nfs/dbraw/zinc/85/74/60/1069857460.db2.gz UROMJLINXHNWTF-SJLPKXTDSA-N 1 0 494.453 4.318 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccc(Br)n2)CC1 ZINC001359549771 1069857896 /nfs/dbraw/zinc/85/78/96/1069857896.db2.gz AOSZIVQMYXHDOO-UHFFFAOYSA-N 1 0 499.457 4.026 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001359549986 1069857985 /nfs/dbraw/zinc/85/79/85/1069857985.db2.gz KSKPYRBAGSIESA-UHFFFAOYSA-N 1 0 482.551 4.452 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 ZINC001359550173 1069858403 /nfs/dbraw/zinc/85/84/03/1069858403.db2.gz RVGHJEIONICAGD-UHFFFAOYSA-N 1 0 492.796 4.419 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)CC1 ZINC001359555607 1069869384 /nfs/dbraw/zinc/86/93/84/1069869384.db2.gz YHDNQESCUPNGGV-FQEVSTJZSA-N 1 0 474.694 4.359 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCSCC2)n1CCCCC[NH+]1CCCC1 ZINC001359559395 1069881266 /nfs/dbraw/zinc/88/12/66/1069881266.db2.gz ONTAHSFQZPKUPM-FQEVSTJZSA-N 1 0 478.707 4.169 20 0 JIADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCCCCC2)n1CCCCC[NH+]1CCCC1 ZINC001359561096 1069884774 /nfs/dbraw/zinc/88/47/74/1069884774.db2.gz NVWVUXBIRJHTKE-QFIPXVFZSA-N 1 0 490.693 4.233 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359564754 1069894055 /nfs/dbraw/zinc/89/40/55/1069894055.db2.gz WUIRPDJMXPYNRS-QFIPXVFZSA-N 1 0 490.693 4.279 20 0 JIADRO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC001359594304 1070041006 /nfs/dbraw/zinc/04/10/06/1070041006.db2.gz VSGUORUHNKOMCL-LJQANCHMSA-N 1 0 484.611 4.195 20 0 JIADRO CC(C)(Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCCCC1 ZINC001359595066 1070043901 /nfs/dbraw/zinc/04/39/01/1070043901.db2.gz YJSSETYELJCEHY-LJQANCHMSA-N 1 0 466.552 4.152 20 0 JIADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359595213 1070044498 /nfs/dbraw/zinc/04/44/98/1070044498.db2.gz CFJBOKCTYSGOKC-FQEVSTJZSA-N 1 0 460.667 4.304 20 0 JIADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359597619 1070051995 /nfs/dbraw/zinc/05/19/95/1070051995.db2.gz XQXJRKBWBLDDPE-UHFFFAOYSA-N 1 0 476.691 4.154 20 0 JIADRO CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCc2cccs2)CC1)C(F)(F)F ZINC001359598067 1070053919 /nfs/dbraw/zinc/05/39/19/1070053919.db2.gz MURJMNDVFAZAMF-QGZVFWFLSA-N 1 0 457.566 4.144 20 0 JIADRO CC(C)(Cn1c(-c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001359598329 1070054914 /nfs/dbraw/zinc/05/49/14/1070054914.db2.gz WYQPZEWFNIOILV-UHFFFAOYSA-N 1 0 464.580 4.142 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359598691 1070055678 /nfs/dbraw/zinc/05/56/78/1070055678.db2.gz KKAIMTPOQIPWTI-UHFFFAOYSA-N 1 0 488.702 4.110 20 0 JIADRO CC(C)=CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001359612464 1070075769 /nfs/dbraw/zinc/07/57/69/1070075769.db2.gz QSBYCYDHGVRLFR-DEOSSOPVSA-N 1 0 450.675 4.481 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359622881 1070099861 /nfs/dbraw/zinc/09/98/61/1070099861.db2.gz LCQLLDPYJPRVPF-FQEVSTJZSA-N 1 0 490.643 4.007 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359623496 1070102440 /nfs/dbraw/zinc/10/24/40/1070102440.db2.gz XOGASJBTBRXTQJ-QFIPXVFZSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359623778 1070104968 /nfs/dbraw/zinc/10/49/68/1070104968.db2.gz FLUPETJJOPTRPS-MDNUFGMLSA-N 1 0 482.673 4.000 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001359623808 1070106344 /nfs/dbraw/zinc/10/63/44/1070106344.db2.gz GJAKPXNXEHZEGI-UHFFFAOYSA-N 1 0 480.701 4.154 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359625713 1070115720 /nfs/dbraw/zinc/11/57/20/1070115720.db2.gz QUUVKPRQLRYVMZ-JOCHJYFZSA-N 1 0 472.653 4.050 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359629453 1070141135 /nfs/dbraw/zinc/14/11/35/1070141135.db2.gz VPYVYGHARJPABZ-ZCYQVOJMSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359630639 1070147032 /nfs/dbraw/zinc/14/70/32/1070147032.db2.gz AMMLSOJPTZMONU-GOTSBHOMSA-N 1 0 466.674 4.198 20 0 JIADRO CC(C)C(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001359645982 1070192645 /nfs/dbraw/zinc/19/26/45/1070192645.db2.gz GBBKZMXEBOPNSX-XMMPIXPASA-N 1 0 482.717 4.188 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359647674 1070202340 /nfs/dbraw/zinc/20/23/40/1070202340.db2.gz FMLDBLXVTYPKEG-DEOSSOPVSA-N 1 0 463.573 4.018 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359647927 1070203136 /nfs/dbraw/zinc/20/31/36/1070203136.db2.gz JPKYAUURBHZZDK-WZONZLPQSA-N 1 0 450.002 4.209 20 0 JIADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359657231 1070243258 /nfs/dbraw/zinc/24/32/58/1070243258.db2.gz DNBQZTDJKWUGBU-LJQANCHMSA-N 1 0 493.578 4.215 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001359657536 1070246887 /nfs/dbraw/zinc/24/68/87/1070246887.db2.gz JQLUSUVVMXDYJH-NRFANRHFSA-N 1 0 486.462 4.198 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1)[NH+]1CCCC1 ZINC001359658686 1070257845 /nfs/dbraw/zinc/25/78/45/1070257845.db2.gz GYZRMICAZLVCBE-JOCHJYFZSA-N 1 0 495.499 4.141 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001359658657 1070257927 /nfs/dbraw/zinc/25/79/27/1070257927.db2.gz GMBRJRMXVYESBC-OXJNMPFZSA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660073 1070269974 /nfs/dbraw/zinc/26/99/74/1070269974.db2.gz JIWFLYXNFUZBEB-GIWBLDEGSA-N 1 0 497.688 4.200 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCC1 ZINC001359660287 1070271423 /nfs/dbraw/zinc/27/14/23/1070271423.db2.gz NDJNBPQOAJUSNL-QFIPXVFZSA-N 1 0 454.594 4.058 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+]1CCCC1 ZINC001359664109 1070290667 /nfs/dbraw/zinc/29/06/67/1070290667.db2.gz ZRGOTEQGXSXXOI-QFIPXVFZSA-N 1 0 453.679 4.011 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001359664303 1070292145 /nfs/dbraw/zinc/29/21/45/1070292145.db2.gz CLICBMHHOSTCKB-QFIPXVFZSA-N 1 0 488.652 4.088 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001359665176 1070294232 /nfs/dbraw/zinc/29/42/32/1070294232.db2.gz UPQWBYOORHWGPD-GIVPXCGWSA-N 1 0 488.702 4.153 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001359665177 1070294568 /nfs/dbraw/zinc/29/45/68/1070294568.db2.gz UPQWBYOORHWGPD-JBACZVJFSA-N 1 0 488.702 4.153 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC001359666430 1070301994 /nfs/dbraw/zinc/30/19/94/1070301994.db2.gz UBMXOWYVEYACOG-IBGZPJMESA-N 1 0 451.537 4.352 20 0 JIADRO CC(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC001359666276 1070301384 /nfs/dbraw/zinc/30/13/84/1070301384.db2.gz QLTRJCPSAYYOSQ-IBGZPJMESA-N 1 0 476.398 4.444 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001359674983 1070326866 /nfs/dbraw/zinc/32/68/66/1070326866.db2.gz BSDDMKMFTRXHMQ-FQEVSTJZSA-N 1 0 475.682 4.460 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359678430 1070333581 /nfs/dbraw/zinc/33/35/81/1070333581.db2.gz FPMNWZDHYWQQBB-IBGZPJMESA-N 1 0 453.660 4.310 20 0 JIADRO CC(C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359678081 1070332639 /nfs/dbraw/zinc/33/26/39/1070332639.db2.gz WKZYJLFNIJHXMS-JOCHJYFZSA-N 1 0 464.614 4.038 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679663 1070335503 /nfs/dbraw/zinc/33/55/03/1070335503.db2.gz PBPDZUUWGYZCCC-YADHBBJMSA-N 1 0 474.719 4.093 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359691619 1070348910 /nfs/dbraw/zinc/34/89/10/1070348910.db2.gz RQFIOWUUWVOKMO-UHFFFAOYSA-N 1 0 466.674 4.129 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359691226 1070348036 /nfs/dbraw/zinc/34/80/36/1070348036.db2.gz GHBSKSMHHCVEMR-AUSIDOKSSA-N 1 0 472.653 4.221 20 0 JIADRO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359692343 1070350980 /nfs/dbraw/zinc/35/09/80/1070350980.db2.gz MRBQDECJUFEBGY-OAQYLSRUSA-N 1 0 489.652 4.293 20 0 JIADRO CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359692454 1070351671 /nfs/dbraw/zinc/35/16/71/1070351671.db2.gz PPHFHPIUMIXJNG-SQJMNOBHSA-N 1 0 493.618 4.496 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001359696232 1070354503 /nfs/dbraw/zinc/35/45/03/1070354503.db2.gz GGZOUJFOSWTQOY-QFIPXVFZSA-N 1 0 474.719 4.093 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359697598 1070358153 /nfs/dbraw/zinc/35/81/53/1070358153.db2.gz YAGWRVZBWYSIHQ-QZTJIDSGSA-N 1 0 462.664 4.117 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359697512 1070358230 /nfs/dbraw/zinc/35/82/30/1070358230.db2.gz VEPUANVOJLLXCG-UHFFFAOYSA-N 1 0 458.617 4.232 20 0 JIADRO CC(C)c1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359700877 1070365017 /nfs/dbraw/zinc/36/50/17/1070365017.db2.gz BINDBKHGOPJEKH-QFIPXVFZSA-N 1 0 469.674 4.312 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359706669 1070372695 /nfs/dbraw/zinc/37/26/95/1070372695.db2.gz FGVIYKXCWCDKDB-OFNKIYASSA-N 1 0 480.682 4.412 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001359707303 1070374519 /nfs/dbraw/zinc/37/45/19/1070374519.db2.gz QLHBYXYEQHFRRJ-MOPGFXCFSA-N 1 0 478.483 4.152 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359707657 1070375470 /nfs/dbraw/zinc/37/54/70/1070375470.db2.gz YJOHGBFBXADRON-RBUKOAKNSA-N 1 0 460.623 4.133 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359708839 1070378103 /nfs/dbraw/zinc/37/81/03/1070378103.db2.gz XGFQRZJEWWVDJO-IBGZPJMESA-N 1 0 474.675 4.015 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001315469686 1064305931 /nfs/dbraw/zinc/30/59/31/1064305931.db2.gz CFOMNMOHKWGIPM-HXUWFJFHSA-N 1 0 487.446 4.329 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001315472274 1064312495 /nfs/dbraw/zinc/31/24/95/1064312495.db2.gz AJTXCRXPCSDOQB-HXUWFJFHSA-N 1 0 466.630 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)cc1OC ZINC001315474914 1064321996 /nfs/dbraw/zinc/32/19/96/1064321996.db2.gz KRWNONBHODRYLT-QFIPXVFZSA-N 1 0 457.619 4.048 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC001315476047 1064326597 /nfs/dbraw/zinc/32/65/97/1064326597.db2.gz QQUDMXJFRMFUCZ-ROKPMTFOSA-N 1 0 471.646 4.238 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC001315478683 1064334262 /nfs/dbraw/zinc/33/42/62/1064334262.db2.gz XHZVDUQVDCXSHQ-YKSBVNFPSA-N 1 0 471.646 4.382 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001315479123 1064334935 /nfs/dbraw/zinc/33/49/35/1064334935.db2.gz CIDLOTFSTFACQW-HSZRJFAPSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC001315480019 1064338554 /nfs/dbraw/zinc/33/85/54/1064338554.db2.gz OKEFDQQIVYSWMG-HRFSGMKKSA-N 1 0 478.641 4.125 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001315480356 1064339197 /nfs/dbraw/zinc/33/91/97/1064339197.db2.gz PKDKKVRTHKZDKX-UHFFFAOYSA-N 1 0 462.642 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC001315481373 1064342847 /nfs/dbraw/zinc/34/28/47/1064342847.db2.gz DVEALCZFMUVDLU-JTHBVZDNSA-N 1 0 471.646 4.151 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001315482809 1064347343 /nfs/dbraw/zinc/34/73/43/1064347343.db2.gz GCXUVHFDFRPGCV-NRFANRHFSA-N 1 0 465.646 4.049 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1F ZINC001315483139 1064347800 /nfs/dbraw/zinc/34/78/00/1064347800.db2.gz KTRKJFTWFKLDTA-OAQYLSRUSA-N 1 0 483.636 4.044 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1OC(F)F ZINC001315485270 1064353910 /nfs/dbraw/zinc/35/39/10/1064353910.db2.gz NMGBXDVJJPNCGG-KRWDZBQOSA-N 1 0 463.573 4.370 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)cc1F ZINC001315505644 1064419826 /nfs/dbraw/zinc/41/98/26/1064419826.db2.gz XZOJIQOJUXANDH-UHFFFAOYSA-N 1 0 486.680 4.168 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315510392 1064441772 /nfs/dbraw/zinc/44/17/72/1064441772.db2.gz APURXGFODWCVDV-OAQYLSRUSA-N 1 0 489.064 4.182 20 0 JIADRO COc1ccc(F)cc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315511272 1064446284 /nfs/dbraw/zinc/44/62/84/1064446284.db2.gz GZDCMXQLAMNFBH-BGYRXZFFSA-N 1 0 487.664 4.388 20 0 JIADRO COc1ccc(F)cc1Cn1c(Cc2cccnc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315512179 1064449872 /nfs/dbraw/zinc/44/98/72/1064449872.db2.gz PTOAOFONCVOSBL-UHFFFAOYSA-N 1 0 466.605 4.017 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccnc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315513242 1064454221 /nfs/dbraw/zinc/45/42/21/1064454221.db2.gz SRSOPTVLKDQEEU-RTBURBONSA-N 1 0 485.032 4.138 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001315514610 1064459740 /nfs/dbraw/zinc/45/97/40/1064459740.db2.gz UVGBSPPHXDUIRY-UHFFFAOYSA-N 1 0 461.397 4.234 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315515686 1064463314 /nfs/dbraw/zinc/46/33/14/1064463314.db2.gz QNNUVRSINRSWKT-NRFANRHFSA-N 1 0 486.680 4.166 20 0 JIADRO COc1ccc(F)cc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001315515826 1064463371 /nfs/dbraw/zinc/46/33/71/1064463371.db2.gz MRGFIFOXPNQJRC-UHFFFAOYSA-N 1 0 494.434 4.496 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001315524484 1064497521 /nfs/dbraw/zinc/49/75/21/1064497521.db2.gz VCTYLDPXQPVAKN-NBGIEHNGSA-N 1 0 471.671 4.096 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001315528907 1064509265 /nfs/dbraw/zinc/50/92/65/1064509265.db2.gz FYPRWZXOKCGIRA-UHFFFAOYSA-N 1 0 483.657 4.302 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315529303 1064510576 /nfs/dbraw/zinc/51/05/76/1064510576.db2.gz UUNNJCOZLSKIGZ-CVDCTZTESA-N 1 0 499.681 4.481 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[C@H]2CCCCO2)cc1 ZINC001315530146 1064512624 /nfs/dbraw/zinc/51/26/24/1064512624.db2.gz BFZPCUAFQVXUCX-HSZRJFAPSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001315529969 1064512849 /nfs/dbraw/zinc/51/28/49/1064512849.db2.gz RSVISZCOHHTSBV-SFTDATJTSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001315531836 1064517381 /nfs/dbraw/zinc/51/73/81/1064517381.db2.gz QWQAQXULIGVDCJ-FYYLOGMGSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001315538389 1064532561 /nfs/dbraw/zinc/53/25/61/1064532561.db2.gz SUTARWVMSNFUCS-YADHBBJMSA-N 1 0 485.654 4.091 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544251 1064546177 /nfs/dbraw/zinc/54/61/77/1064546177.db2.gz BTHLDAFZJHSMST-LLZJGCNPSA-N 1 0 498.716 4.388 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315546238 1064553285 /nfs/dbraw/zinc/55/32/85/1064553285.db2.gz SCWIAAQZVPZVTL-VWLOTQADSA-N 1 0 496.700 4.330 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+]2CCCC2)c1 ZINC001315547368 1064556300 /nfs/dbraw/zinc/55/63/00/1064556300.db2.gz PPINHWBTFLDCRA-NFBKMPQASA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315547205 1064556483 /nfs/dbraw/zinc/55/64/83/1064556483.db2.gz NZFRQDFZJORQOH-SFTDATJTSA-N 1 0 463.573 4.457 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCOC(C)(C)[C@@H]2C)[NH+](C)C)c1 ZINC001315547747 1064557710 /nfs/dbraw/zinc/55/77/10/1064557710.db2.gz CQQUNGOILJQXJT-WMZHIEFXSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315548795 1064561789 /nfs/dbraw/zinc/56/17/89/1064561789.db2.gz MYBICVIBBFCWIM-IRLDBZIGSA-N 1 0 488.558 4.354 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CC3)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001315549095 1064563054 /nfs/dbraw/zinc/56/30/54/1064563054.db2.gz PGTQNVNTNBYKOD-FQEVSTJZSA-N 1 0 460.420 4.031 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC(C)(c4nc(C)no4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315549441 1064563106 /nfs/dbraw/zinc/56/31/06/1064563106.db2.gz PWCFLOYKGTVQFJ-OAQYLSRUSA-N 1 0 481.645 4.137 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCc3sccc3C2)c1 ZINC001315550496 1064566860 /nfs/dbraw/zinc/56/68/60/1064566860.db2.gz ZOSLEKKWCAJMDF-UHFFFAOYSA-N 1 0 451.518 4.072 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)CC2CCC2)[NH+](C)C)c1 ZINC001315550580 1064567430 /nfs/dbraw/zinc/56/74/30/1064567430.db2.gz XJZWYSDVHZBALA-JOCHJYFZSA-N 1 0 454.644 4.182 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315552450 1064568997 /nfs/dbraw/zinc/56/89/97/1064568997.db2.gz QHUYXKYKGZJOHY-PMACEKPBSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315552737 1064569770 /nfs/dbraw/zinc/56/97/70/1064569770.db2.gz SMEXVNLHMUJOIG-OYRHEFFESA-N 1 0 465.646 4.043 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315553457 1064570747 /nfs/dbraw/zinc/57/07/47/1064570747.db2.gz CRBPYIPZUPYYPP-NHCUHLMSSA-N 1 0 455.628 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315553888 1064571383 /nfs/dbraw/zinc/57/13/83/1064571383.db2.gz LUTBZOLLLXDXDU-NZQKXSOJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315553887 1064571456 /nfs/dbraw/zinc/57/14/56/1064571456.db2.gz LUTBZOLLLXDXDU-NFBKMPQASA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCOCC3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001315555884 1064574464 /nfs/dbraw/zinc/57/44/64/1064574464.db2.gz LXXHOTICBPTERB-UHFFFAOYSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315556247 1064575632 /nfs/dbraw/zinc/57/56/32/1064575632.db2.gz NFAXDVDMLHFRFD-WOJBJXKFSA-N 1 0 468.671 4.457 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001315556607 1064576294 /nfs/dbraw/zinc/57/62/94/1064576294.db2.gz CEQHNDVTVKUZHI-UHFFFAOYSA-N 1 0 452.578 4.093 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001315558512 1064580702 /nfs/dbraw/zinc/58/07/02/1064580702.db2.gz XQMQLRIYJZTDQY-FQEVSTJZSA-N 1 0 486.661 4.035 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001315562274 1064588489 /nfs/dbraw/zinc/58/84/89/1064588489.db2.gz FYZCYDCLVWZFIH-NFBKMPQASA-N 1 0 461.701 4.113 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1 ZINC001315562727 1064589712 /nfs/dbraw/zinc/58/97/12/1064589712.db2.gz MDISNKVUQWBUTL-UHFFFAOYSA-N 1 0 471.005 4.002 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315563527 1064591742 /nfs/dbraw/zinc/59/17/42/1064591742.db2.gz BYTZHALCKIDTNM-LEWJYISDSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315564618 1064594639 /nfs/dbraw/zinc/59/46/39/1064594639.db2.gz VZAWUZCGEMJMKI-LEWJYISDSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315565470 1064596778 /nfs/dbraw/zinc/59/67/78/1064596778.db2.gz FIHXFMTYIIOKMR-ONTIZHBOSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315569468 1064607958 /nfs/dbraw/zinc/60/79/58/1064607958.db2.gz HPAXGUCNXLSINW-NZQKXSOJSA-N 1 0 470.662 4.131 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315569892 1064609772 /nfs/dbraw/zinc/60/97/72/1064609772.db2.gz FKIKPXOSRRSDBP-XAJLNHFYSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315571206 1064615926 /nfs/dbraw/zinc/61/59/26/1064615926.db2.gz BLLFTSMXLLSULA-XMMPIXPASA-N 1 0 494.684 4.183 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001315573761 1064625267 /nfs/dbraw/zinc/62/52/67/1064625267.db2.gz SIDZGWJCBHOEAG-UHFFFAOYSA-N 1 0 494.684 4.212 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315576610 1064633791 /nfs/dbraw/zinc/63/37/91/1064633791.db2.gz LBJDNRBHYJHGKE-QFIPXVFZSA-N 1 0 450.631 4.297 20 0 JIADRO COc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001315578258 1064639414 /nfs/dbraw/zinc/63/94/14/1064639414.db2.gz GXWHSXUKFLZSOS-UHFFFAOYSA-N 1 0 473.419 4.059 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001315578364 1064639450 /nfs/dbraw/zinc/63/94/50/1064639450.db2.gz UBJZDXKYRRIHSA-WIOPSUGQSA-N 1 0 473.687 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315591107 1064679764 /nfs/dbraw/zinc/67/97/64/1064679764.db2.gz JFWRCIANUFYGAW-SFHVURJKSA-N 1 0 452.603 4.315 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001315592458 1064684981 /nfs/dbraw/zinc/68/49/81/1064684981.db2.gz YNQZLNFBWFICHN-HXUWFJFHSA-N 1 0 496.681 4.203 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315593332 1064687316 /nfs/dbraw/zinc/68/73/16/1064687316.db2.gz BVWJPKWFKWZXDC-ROUUACIJSA-N 1 0 472.037 4.097 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315593976 1064689833 /nfs/dbraw/zinc/68/98/33/1064689833.db2.gz NVBDZOSEFLIJIR-BDTNDASRSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315603421 1064715308 /nfs/dbraw/zinc/71/53/08/1064715308.db2.gz DKFYZPXYRLJQET-HFZDXXHNSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CC[N@H+](C)C(C)C ZINC001315604794 1064717828 /nfs/dbraw/zinc/71/78/28/1064717828.db2.gz QZIGPJTXOKUVRD-LJQANCHMSA-N 1 0 454.644 4.443 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315606693 1064723354 /nfs/dbraw/zinc/72/33/54/1064723354.db2.gz AJIGXQNYGNGFOJ-NJDAHSKKSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCSC(C)C ZINC001315607882 1064725986 /nfs/dbraw/zinc/72/59/86/1064725986.db2.gz RLDSUQLMZMUQLS-VXKWHMMOSA-N 1 0 486.730 4.090 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315607954 1064726407 /nfs/dbraw/zinc/72/64/07/1064726407.db2.gz UEFPLDPNUACNTE-SFHVURJKSA-N 1 0 494.587 4.002 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315610107 1064729480 /nfs/dbraw/zinc/72/94/80/1064729480.db2.gz UQBMZTXLADDXET-QFIPXVFZSA-N 1 0 497.644 4.157 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001315612071 1064732867 /nfs/dbraw/zinc/73/28/67/1064732867.db2.gz GFRKKBMJGVGQBA-OFNKIYASSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001315612302 1064733878 /nfs/dbraw/zinc/73/38/78/1064733878.db2.gz GMCBRVHNXYTBAA-HXUWFJFHSA-N 1 0 482.698 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C2CCC(C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315616246 1064742801 /nfs/dbraw/zinc/74/28/01/1064742801.db2.gz RXRDAFVWHKRUEQ-MHIUNMELSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315617050 1064745581 /nfs/dbraw/zinc/74/55/81/1064745581.db2.gz QGULBCXOLUDYLU-FCHUYYIVSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315617300 1064746569 /nfs/dbraw/zinc/74/65/69/1064746569.db2.gz DLMLXNPLIRMJCK-GMAHTHKFSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315617996 1064748891 /nfs/dbraw/zinc/74/88/91/1064748891.db2.gz TYYVVVUJVIJLGI-NRFANRHFSA-N 1 0 494.709 4.167 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315618656 1064749842 /nfs/dbraw/zinc/74/98/42/1064749842.db2.gz YHQPQRKJGIYZNC-AWRGLXIESA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315621058 1064755273 /nfs/dbraw/zinc/75/52/73/1064755273.db2.gz CQYVRRTYVHOTMV-JSXRDJHFSA-N 1 0 457.688 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](c3ccco3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315621021 1064755372 /nfs/dbraw/zinc/75/53/72/1064755372.db2.gz CWIZOLOHASZOBB-FCHUYYIVSA-N 1 0 451.615 4.441 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315626744 1064771010 /nfs/dbraw/zinc/77/10/10/1064771010.db2.gz WBVNYOCXUNYFMN-NRFANRHFSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001315629600 1064778417 /nfs/dbraw/zinc/77/84/17/1064778417.db2.gz NYXLCCVTXGQSEH-UHFFFAOYSA-N 1 0 478.641 4.029 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCSCC(C)C ZINC001315630358 1064780394 /nfs/dbraw/zinc/78/03/94/1064780394.db2.gz YRWHYICLYROTOG-QFIPXVFZSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCCSCC(C)C ZINC001315630357 1064780841 /nfs/dbraw/zinc/78/08/41/1064780841.db2.gz YRWHYICLYROTOG-JOCHJYFZSA-N 1 0 457.688 4.331 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315631642 1064783208 /nfs/dbraw/zinc/78/32/08/1064783208.db2.gz MDSDVOWXBHXRAW-ZJSXRUAMSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(C2CCCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315632444 1064785158 /nfs/dbraw/zinc/78/51/58/1064785158.db2.gz DAUHXGUTFWXOJV-UHFFFAOYSA-N 1 0 457.688 4.451 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315635198 1064791262 /nfs/dbraw/zinc/79/12/62/1064791262.db2.gz QXGIHNLDHZVKER-RBBKRZOGSA-N 1 0 462.642 4.456 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2ccc(C)o2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315640098 1064802315 /nfs/dbraw/zinc/80/23/15/1064802315.db2.gz RGLJUTTXQMQNHE-NFQMXDRXSA-N 1 0 481.641 4.365 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001315641014 1064804134 /nfs/dbraw/zinc/80/41/34/1064804134.db2.gz HXSBICUTOJBPCL-ISKFKSNPSA-N 1 0 499.700 4.079 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315644205 1064811684 /nfs/dbraw/zinc/81/16/84/1064811684.db2.gz ZVSOUTRUCVYQCS-XMMPIXPASA-N 1 0 482.717 4.318 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315646170 1064816854 /nfs/dbraw/zinc/81/68/54/1064816854.db2.gz DCNKSBDDVCTANX-OALUTQOASA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315652352 1064835135 /nfs/dbraw/zinc/83/51/35/1064835135.db2.gz QWADGQBEGJWYKD-SFTDATJTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccoc1 ZINC001315653720 1064838928 /nfs/dbraw/zinc/83/89/28/1064838928.db2.gz LTCLZTZTPMMIIJ-UHFFFAOYSA-N 1 0 453.587 4.065 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001315653772 1064838990 /nfs/dbraw/zinc/83/89/90/1064838990.db2.gz MSJDFCHENOJJSJ-QFIPXVFZSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(OC(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315654308 1064840996 /nfs/dbraw/zinc/84/09/96/1064840996.db2.gz GIHWVPVPUCSRPZ-QFIPXVFZSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nc(C)c(C)s1 ZINC001315655578 1064844080 /nfs/dbraw/zinc/84/40/80/1064844080.db2.gz CJLARWVZBBJKFG-UHFFFAOYSA-N 1 0 484.670 4.298 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315656266 1064846773 /nfs/dbraw/zinc/84/67/73/1064846773.db2.gz PMMXLEZVGRHVES-OYRHEFFESA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(C)C ZINC001315656767 1064847978 /nfs/dbraw/zinc/84/79/78/1064847978.db2.gz IGPYJEYVTYQGOY-JOCHJYFZSA-N 1 0 485.673 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001315663342 1064869264 /nfs/dbraw/zinc/86/92/64/1064869264.db2.gz IDMKRFQQNDJLDL-PZJWPPBQSA-N 1 0 473.687 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001315664655 1064875702 /nfs/dbraw/zinc/87/57/02/1064875702.db2.gz MZUABWDPVPLPOY-WOJBJXKFSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(C)CCCS1 ZINC001315665093 1064876406 /nfs/dbraw/zinc/87/64/06/1064876406.db2.gz COILPIQWMSDFLQ-QHCPKHFHSA-N 1 0 461.701 4.395 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(OC)CC2)n1CC[NH+]1CCSCC1 ZINC001315666876 1064884534 /nfs/dbraw/zinc/88/45/34/1064884534.db2.gz HUSDUAJMHJDSFI-DEOSSOPVSA-N 1 0 491.727 4.023 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](C)CC2)n1CC[NH+]1CCSCC1 ZINC001315667181 1064885758 /nfs/dbraw/zinc/88/57/58/1064885758.db2.gz INMRZPANUBLRTB-LJQANCHMSA-N 1 0 461.701 4.254 20 0 JIADRO COC1CCC(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001315679521 1064919763 /nfs/dbraw/zinc/91/97/63/1064919763.db2.gz KUPIGRPSQABPQF-BWWMBTDCSA-N 1 0 461.695 4.322 20 0 JIADRO COC1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001315681567 1064926269 /nfs/dbraw/zinc/92/62/69/1064926269.db2.gz VKDUBPJEULGDDV-UHFFFAOYSA-N 1 0 494.055 4.490 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685005 1064934448 /nfs/dbraw/zinc/93/44/48/1064934448.db2.gz FIISKTORNUDZFD-CNNODRBYSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315686006 1064937333 /nfs/dbraw/zinc/93/73/33/1064937333.db2.gz SEVCIBVIWYEVPV-UTKZUKDTSA-N 1 0 450.002 4.331 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001315690743 1064946603 /nfs/dbraw/zinc/94/66/03/1064946603.db2.gz GBAAUYQAKVPIOX-BOCKYXSRSA-N 1 0 493.494 4.172 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315694133 1064953626 /nfs/dbraw/zinc/95/36/26/1064953626.db2.gz QASKVHRCIRWHOI-NZQKXSOJSA-N 1 0 473.637 4.370 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001315702718 1064966850 /nfs/dbraw/zinc/96/68/50/1064966850.db2.gz DJFAHWDJAORVII-SFHVURJKSA-N 1 0 454.644 4.488 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc4cccnc43)nnc2N(C)CCC(F)F)CC1 ZINC001315703467 1064968853 /nfs/dbraw/zinc/96/88/53/1064968853.db2.gz CNEKKRCSSGRBGX-UHFFFAOYSA-N 1 0 472.584 4.474 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001315704177 1064970170 /nfs/dbraw/zinc/97/01/70/1064970170.db2.gz NZXHUPLNOFDRPX-YADHBBJMSA-N 1 0 455.647 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001315704378 1064970618 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/nfs/dbraw/zinc/97/68/11/1064976811.db2.gz QQVNPVAUVGYNEH-QFIPXVFZSA-N 1 0 476.065 4.493 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001315707278 1064980880 /nfs/dbraw/zinc/98/08/80/1064980880.db2.gz XWMGXXFYCINXQX-WIYYLYMNSA-N 1 0 495.590 4.299 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315707704 1064982229 /nfs/dbraw/zinc/98/22/29/1064982229.db2.gz OHKQWTZOSWGYPV-SFTDATJTSA-N 1 0 490.693 4.087 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)[C@@H](C)CCc3ccc(O)cc3)CCCC2)CC1 ZINC001315709447 1064985055 /nfs/dbraw/zinc/98/50/55/1064985055.db2.gz MGOBSGZDPFTQJK-FQEVSTJZSA-N 1 0 455.647 4.173 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3CCC[C@](C)(OC)CC3)CCCC2)CC1 ZINC001315709421 1064985347 /nfs/dbraw/zinc/98/53/47/1064985347.db2.gz LSIOEJLIOJVWGZ-VWLOTQADSA-N 1 0 461.695 4.296 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001315709881 1064985912 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COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)SC)C[C@H]1C ZINC001316126225 1065798760 /nfs/dbraw/zinc/79/87/60/1065798760.db2.gz VJPNASPJCYDZGG-CQSZACIVSA-N 1 0 488.521 4.068 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001316138005 1065803605 /nfs/dbraw/zinc/80/36/05/1065803605.db2.gz LPNFWBRXHQKDMG-QGZVFWFLSA-N 1 0 450.002 4.009 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC001316138224 1065804073 /nfs/dbraw/zinc/80/40/73/1065804073.db2.gz BOMNSDVQNFJYSC-DXBVXKBHSA-N 1 0 499.700 4.082 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCC2(F)F)C[C@@H]1C ZINC001316139670 1065806083 /nfs/dbraw/zinc/80/60/83/1065806083.db2.gz BWLFHUMAXFZPLB-DOIPELPJSA-N 1 0 483.648 4.179 20 0 JIADRO COCCO[C@H](C)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001316167137 1065837313 /nfs/dbraw/zinc/83/73/13/1065837313.db2.gz NSHDZWJJVHDINF-IYWMVGAKSA-N 1 0 479.716 4.231 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001316169141 1065840941 /nfs/dbraw/zinc/84/09/41/1065840941.db2.gz GFNVRYDDKCRLPV-OAQYLSRUSA-N 1 0 455.647 4.077 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1ccc(F)cc1 ZINC001316175177 1065850870 /nfs/dbraw/zinc/85/08/70/1065850870.db2.gz AHPQXHLKNBICBV-OAQYLSRUSA-N 1 0 473.637 4.282 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316175505 1065851763 /nfs/dbraw/zinc/85/17/63/1065851763.db2.gz BUMSIIWQXAAZHH-GSHUGGBRSA-N 1 0 474.477 4.412 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316175732 1065852367 /nfs/dbraw/zinc/85/23/67/1065852367.db2.gz DSSFAJBMZPULNX-QUCCMNQESA-N 1 0 475.600 4.291 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001316177852 1065857199 /nfs/dbraw/zinc/85/71/99/1065857199.db2.gz AVXQVTJVQCWOKA-VXKWHMMOSA-N 1 0 455.647 4.261 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccccc1OC(F)(F)F ZINC001316179426 1065859840 /nfs/dbraw/zinc/85/98/40/1065859840.db2.gz ITFYRXPBZJCFKE-ICSRJNTNSA-N 1 0 497.562 4.014 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001316180141 1065861232 /nfs/dbraw/zinc/86/12/32/1065861232.db2.gz XPIBSMSTXUPEHM-LJQANCHMSA-N 1 0 495.590 4.229 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316183628 1065867529 /nfs/dbraw/zinc/86/75/29/1065867529.db2.gz AKOTXIIQQRCTNT-ANULTFPQSA-N 1 0 461.676 4.383 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001316189534 1065878803 /nfs/dbraw/zinc/87/88/03/1065878803.db2.gz NOUPHTFLYWNVCF-KNQAVFIVSA-N 1 0 491.627 4.321 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@@]1(C)CCCS1 ZINC001316191485 1065881984 /nfs/dbraw/zinc/88/19/84/1065881984.db2.gz BVIATCMVHHCIBN-TZBSWOFLSA-N 1 0 479.735 4.380 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H]2c2ccco2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316192568 1065884559 /nfs/dbraw/zinc/88/45/59/1065884559.db2.gz LNMHZLDUHTVPRI-NJYVYQBISA-N 1 0 459.635 4.447 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCc3sccc3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001316193213 1065885865 /nfs/dbraw/zinc/88/58/65/1065885865.db2.gz SQHSEWWHDNMLRK-WOJBJXKFSA-N 1 0 461.676 4.281 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H]2c2ccccc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316194431 1065888241 /nfs/dbraw/zinc/88/82/41/1065888241.db2.gz SATGQPWGXDVNMA-GPXNEJASSA-N 1 0 455.647 4.464 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001316197490 1065893517 /nfs/dbraw/zinc/89/35/17/1065893517.db2.gz JBKLNXAMHRRUOV-SFHVURJKSA-N 1 0 499.578 4.260 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCCC[C@@H](SC)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316198453 1065894489 /nfs/dbraw/zinc/89/44/89/1065894489.db2.gz JCVSCNIBIAIADD-PWRODBHTSA-N 1 0 467.724 4.235 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001316201354 1065899220 /nfs/dbraw/zinc/89/92/20/1065899220.db2.gz UMVGZFUXRFPVSN-XEVCZEQESA-N 1 0 475.600 4.291 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001316206658 1065908133 /nfs/dbraw/zinc/90/81/33/1065908133.db2.gz PZOZGRAMTSZXTP-LJQANCHMSA-N 1 0 490.718 4.259 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316209146 1065911454 /nfs/dbraw/zinc/91/14/54/1065911454.db2.gz BEQOWXVMKZBTFC-OTWHNJEPSA-N 1 0 498.093 4.027 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001316212191 1065917703 /nfs/dbraw/zinc/91/77/03/1065917703.db2.gz VZWCIZAVCVHIBK-WIOPSUGQSA-N 1 0 499.700 4.288 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316217576 1065929041 /nfs/dbraw/zinc/92/90/41/1065929041.db2.gz IMFSIPLANVSDEL-BHIFYINESA-N 1 0 479.735 4.379 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316222477 1065937365 /nfs/dbraw/zinc/93/73/65/1065937365.db2.gz UKZVHLJYHBKAEN-XPWALMASSA-N 1 0 477.694 4.052 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316239722 1065977122 /nfs/dbraw/zinc/97/71/22/1065977122.db2.gz QSXCNBSILREWKV-ILBGXUMGSA-N 1 0 499.700 4.226 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001316240275 1065979078 /nfs/dbraw/zinc/97/90/78/1065979078.db2.gz GPKPPBUDFMVKSO-UYAOXDASSA-N 1 0 480.028 4.101 20 0 JIADRO COCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001316262952 1066008693 /nfs/dbraw/zinc/00/86/93/1066008693.db2.gz DUNUQIOFWUBZON-NHCUHLMSSA-N 1 0 476.065 4.352 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316274677 1066025279 /nfs/dbraw/zinc/02/52/79/1066025279.db2.gz OCFAQEKBKSTHMS-YDWJEQILSA-N 1 0 476.065 4.412 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316280776 1066034816 /nfs/dbraw/zinc/03/48/16/1066034816.db2.gz HCWSQOALUSWLHD-KAWFJRQCSA-N 1 0 461.695 4.385 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001316281219 1066035738 /nfs/dbraw/zinc/03/57/38/1066035738.db2.gz JRNJVZXWSQCPCD-JEYZWYLSSA-N 1 0 461.695 4.243 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316283872 1066039638 /nfs/dbraw/zinc/03/96/38/1066039638.db2.gz YSQWVBPQOPEKMZ-IEZWGBDMSA-N 1 0 485.576 4.065 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001316283894 1066039895 /nfs/dbraw/zinc/03/98/95/1066039895.db2.gz ZDAZVJKHUGMIHC-UNMCSNQZSA-N 1 0 499.622 4.459 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCSc1ccc(C)cc1 ZINC001316289039 1066047573 /nfs/dbraw/zinc/04/75/73/1066047573.db2.gz GDRJSSRPNGLIDZ-GMAHTHKFSA-N 1 0 487.714 4.413 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316292583 1066053953 /nfs/dbraw/zinc/05/39/53/1066053953.db2.gz YVYXYTHSIBSOJI-DYQZNNLLSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@H](OC)C(C)(C)C ZINC001316295203 1066056324 /nfs/dbraw/zinc/05/63/24/1066056324.db2.gz XKVDNCSUWNRUIU-SBFWRKJZSA-N 1 0 491.721 4.156 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001316294763 1066056477 /nfs/dbraw/zinc/05/64/77/1066056477.db2.gz WDLGPCKIAGGCPW-NNWRFLSQSA-N 1 0 459.610 4.071 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC1=CCCCC1 ZINC001316297685 1066058003 /nfs/dbraw/zinc/05/80/03/1066058003.db2.gz ZWAVTNZTVMZGOX-GOTSBHOMSA-N 1 0 459.679 4.451 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001316302285 1066062168 /nfs/dbraw/zinc/06/21/68/1066062168.db2.gz MEKMZGCBKFDQQV-PLSULTGPSA-N 1 0 483.648 4.240 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316301953 1066062187 /nfs/dbraw/zinc/06/21/87/1066062187.db2.gz RXBLIYYYIYHRJQ-XQUALCHDSA-N 1 0 487.714 4.191 20 0 JIADRO CON(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316303191 1066063344 /nfs/dbraw/zinc/06/33/44/1066063344.db2.gz NAQLVAHASGEHDQ-NQIIRXRSSA-N 1 0 468.627 4.289 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001316303723 1066064213 /nfs/dbraw/zinc/06/42/13/1066064213.db2.gz WTMQTVLNQFRZRR-TWGBQZSLSA-N 1 0 483.648 4.098 20 0 JIADRO CON(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316304084 1066064616 /nfs/dbraw/zinc/06/46/16/1066064616.db2.gz CEBKZQMDWHSTQT-HXUWFJFHSA-N 1 0 453.568 4.479 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316314198 1066070376 /nfs/dbraw/zinc/07/03/76/1066070376.db2.gz MQLPYJAUMFUOTB-JSXRDJHFSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001316318334 1066074118 /nfs/dbraw/zinc/07/41/18/1066074118.db2.gz HLLHNMPRQREZOM-SSGKUCQKSA-N 1 0 455.647 4.033 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316318735 1066074417 /nfs/dbraw/zinc/07/44/17/1066074417.db2.gz NWFXLXKBQHBBNC-MZURWIMNSA-N 1 0 469.674 4.332 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001316324931 1066081629 /nfs/dbraw/zinc/08/16/29/1066081629.db2.gz PMRDASUTVUOQHJ-NQIIRXRSSA-N 1 0 463.573 4.284 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001316330483 1066086564 /nfs/dbraw/zinc/08/65/64/1066086564.db2.gz VRZIBTGBDFPVHQ-AZOUXBGGSA-N 1 0 485.673 4.005 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1OC ZINC001316332036 1066087930 /nfs/dbraw/zinc/08/79/30/1066087930.db2.gz XRZLANUHGVBTHT-HBGVWJBISA-N 1 0 482.456 4.222 20 0 JIADRO CS(=O)(=O)CCCCCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001316346148 1066096382 /nfs/dbraw/zinc/09/63/82/1066096382.db2.gz YRYMJMFQMDIDFV-UHFFFAOYSA-N 1 0 491.677 4.002 20 0 JIADRO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316377451 1066142554 /nfs/dbraw/zinc/14/25/54/1066142554.db2.gz OFXFLMZGKHZOTJ-VQIMIIECSA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001316379871 1066147935 /nfs/dbraw/zinc/14/79/35/1066147935.db2.gz WCNFNMAPXRAAFZ-SFHVURJKSA-N 1 0 464.079 4.431 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316382552 1066150881 /nfs/dbraw/zinc/15/08/81/1066150881.db2.gz PRTFYQXOZRHAKX-RBBKRZOGSA-N 1 0 450.656 4.358 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316384626 1066153772 /nfs/dbraw/zinc/15/37/72/1066153772.db2.gz WJEQDCZNOOGTKB-LAUBAEHRSA-N 1 0 456.685 4.096 20 0 JIADRO CS[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1 ZINC001316387461 1066158981 /nfs/dbraw/zinc/15/89/81/1066158981.db2.gz QRNOLZAKLOSXTG-FQEVSTJZSA-N 1 0 470.712 4.092 20 0 JIADRO CS[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001316394943 1066171186 /nfs/dbraw/zinc/17/11/86/1066171186.db2.gz PKSUDGIJMJEMFU-WCIQWLHISA-N 1 0 492.734 4.111 20 0 JIADRO CSC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H]2CCCOC2)CC[NH+](C)CC1 ZINC001316398743 1066176528 /nfs/dbraw/zinc/17/65/28/1066176528.db2.gz NBQDSYFLQRPVDN-UXHICEINSA-N 1 0 491.677 4.247 20 0 JIADRO CSC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccon2)CC[NH+](C)CC1 ZINC001316401305 1066179144 /nfs/dbraw/zinc/17/91/44/1066179144.db2.gz NLBUUXLWNIIZDS-UHFFFAOYSA-N 1 0 491.459 4.159 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC[NH+](C)CC1 ZINC001316404802 1066187212 /nfs/dbraw/zinc/18/72/12/1066187212.db2.gz CZVKCBZFQBSPFT-UHFFFAOYSA-N 1 0 492.640 4.116 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCO[C@H](CCc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316406499 1066189452 /nfs/dbraw/zinc/18/94/52/1066189452.db2.gz DYVNCXGJSOIRDS-HSZRJFAPSA-N 1 0 471.715 4.142 20 0 JIADRO CSC1(Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)CC[NH+](C)CC1 ZINC001316407167 1066190625 /nfs/dbraw/zinc/19/06/25/1066190625.db2.gz SLVYJKJZENZYDV-UHFFFAOYSA-N 1 0 484.714 4.373 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316407300 1066190629 /nfs/dbraw/zinc/19/06/29/1066190629.db2.gz NIJDHGFAMCIOBR-UHFFFAOYSA-N 1 0 475.678 4.229 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC001316407707 1066191647 /nfs/dbraw/zinc/19/16/47/1066191647.db2.gz QSAMFZOAEQSAFV-RBBKRZOGSA-N 1 0 457.688 4.270 20 0 JIADRO CSC1(Cn2c(COc3ccccc3F)nnc2N2CCCC[C@H](C)C2)CC[NH+](C)CC1 ZINC001316410177 1066197848 /nfs/dbraw/zinc/19/78/48/1066197848.db2.gz QIMUQEMHBKBXCF-IBGZPJMESA-N 1 0 461.651 4.450 20 0 JIADRO CSC1(Cn2c(CC3CC3)nnc2N(C)Cc2cccc(Br)c2)CC[NH+](C)CC1 ZINC001316411425 1066200390 /nfs/dbraw/zinc/20/03/90/1066200390.db2.gz PICXOGXJTOZRHY-UHFFFAOYSA-N 1 0 478.504 4.457 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCC[NH+](C)C ZINC001492498644 1066222538 /nfs/dbraw/zinc/22/25/38/1066222538.db2.gz MYERHDSDKDBDAX-UHFFFAOYSA-N 1 0 477.638 4.039 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001316421619 1066229004 /nfs/dbraw/zinc/22/90/04/1066229004.db2.gz DRKLTVVZBWITNF-OAQYLSRUSA-N 1 0 464.079 4.167 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001316425463 1066243268 /nfs/dbraw/zinc/24/32/68/1066243268.db2.gz AENZPMHVAFORQX-QFIPXVFZSA-N 1 0 468.671 4.178 20 0 JIADRO CSc1ccccc1CN(C)c1nnc([C@H]2CCCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316426166 1066245158 /nfs/dbraw/zinc/24/51/58/1066245158.db2.gz VXRVTZYWNPKZPB-OAQYLSRUSA-N 1 0 473.687 4.113 20 0 JIADRO Cc1cc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001325338296 1066245508 /nfs/dbraw/zinc/24/55/08/1066245508.db2.gz VCBSINHTGQJAQC-UHFFFAOYSA-N 1 0 454.659 4.331 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492499534 1066250280 /nfs/dbraw/zinc/25/02/80/1066250280.db2.gz QVHFJSNPXJZWEH-CEJSKPCCSA-N 1 0 494.709 4.390 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316427529 1066252147 /nfs/dbraw/zinc/25/21/47/1066252147.db2.gz JLMPSNXBJSHZPS-RTBURBONSA-N 1 0 460.673 4.252 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001316430555 1066265822 /nfs/dbraw/zinc/26/58/22/1066265822.db2.gz OOUQSJIWWGAMFL-HSZRJFAPSA-N 1 0 489.755 4.448 20 0 JIADRO CSCc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001316432436 1066275233 /nfs/dbraw/zinc/27/52/33/1066275233.db2.gz LGLREHZPHIYPQB-DEOSSOPVSA-N 1 0 498.741 4.420 20 0 JIADRO COCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001326471570 1066298386 /nfs/dbraw/zinc/29/83/86/1066298386.db2.gz XUQYTYPCPPECJB-IBGZPJMESA-N 1 0 478.559 4.376 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001316443921 1066309521 /nfs/dbraw/zinc/30/95/21/1066309521.db2.gz IXDBSHJVADZNHA-IAGOWNOFSA-N 1 0 483.524 4.356 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001316443925 1066309615 /nfs/dbraw/zinc/30/96/15/1066309615.db2.gz IXDBSHJVADZNHA-SJORKVTESA-N 1 0 483.524 4.356 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316444572 1066311875 /nfs/dbraw/zinc/31/18/75/1066311875.db2.gz LXOBPKZJPQVCHA-JKSUJKDBSA-N 1 0 469.497 4.345 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492503047 1066312340 /nfs/dbraw/zinc/31/23/40/1066312340.db2.gz SGYBUEALRILKIC-FQEVSTJZSA-N 1 0 453.660 4.152 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CC=CCC1 ZINC001316445430 1066315028 /nfs/dbraw/zinc/31/50/28/1066315028.db2.gz PWBFMHLCJWNVNL-LJQANCHMSA-N 1 0 451.644 4.175 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316447767 1066322492 /nfs/dbraw/zinc/32/24/92/1066322492.db2.gz REOKBTHFWAVTDS-PMACEKPBSA-N 1 0 473.687 4.415 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492510510 1066341743 /nfs/dbraw/zinc/34/17/43/1066341743.db2.gz TUBFXUIYEQXEAS-NRFANRHFSA-N 1 0 485.677 4.261 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492510932 1066342649 /nfs/dbraw/zinc/34/26/49/1066342649.db2.gz HQVYYDMFWVYECF-OAQYLSRUSA-N 1 0 454.644 4.407 20 0 JIADRO CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316459021 1066350663 /nfs/dbraw/zinc/35/06/63/1066350663.db2.gz HLSFTVPBQDPHBH-UHFFFAOYSA-N 1 0 483.524 4.500 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492515992 1066363494 /nfs/dbraw/zinc/36/34/94/1066363494.db2.gz MOGQXPWZRCEQCE-CEMLEFRQSA-N 1 0 497.688 4.262 20 0 JIADRO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001316472592 1066380771 /nfs/dbraw/zinc/38/07/71/1066380771.db2.gz CTXPZRUTUXLVAP-CVEARBPZSA-N 1 0 450.450 4.134 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492519691 1066382974 /nfs/dbraw/zinc/38/29/74/1066382974.db2.gz SYNOZDGXODYTSM-WIOPSUGQSA-N 1 0 462.642 4.420 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492520335 1066384764 /nfs/dbraw/zinc/38/47/64/1066384764.db2.gz KUCKDKRXHMODJS-QFIPXVFZSA-N 1 0 455.006 4.220 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492520824 1066387578 /nfs/dbraw/zinc/38/75/78/1066387578.db2.gz WAIMLAGRMHLIOQ-AREMUKBSSA-N 1 0 454.663 4.412 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492522480 1066390469 /nfs/dbraw/zinc/39/04/69/1066390469.db2.gz STWMEXSMFHJCBP-JOCHJYFZSA-N 1 0 497.688 4.264 20 0 JIADRO CSCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001316479071 1066392419 /nfs/dbraw/zinc/39/24/19/1066392419.db2.gz OYHCAWPPFWIOST-JOCHJYFZSA-N 1 0 488.771 4.237 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCc1ccc(F)c(F)c1 ZINC001316492865 1066434109 /nfs/dbraw/zinc/43/41/09/1066434109.db2.gz UDKVGLULXDODNK-GOSISDBHSA-N 1 0 461.601 4.077 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC001316495952 1066443210 /nfs/dbraw/zinc/44/32/10/1066443210.db2.gz IPHMTJOTNXMRPJ-QWQRMKEZSA-N 1 0 479.448 4.014 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CCOCC(F)(F)C(F)F ZINC001316497016 1066447526 /nfs/dbraw/zinc/44/75/26/1066447526.db2.gz NVUDSIRTUVKWFF-UYAOXDASSA-N 1 0 499.553 4.147 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001316504786 1066476735 /nfs/dbraw/zinc/47/67/35/1066476735.db2.gz QDKXCZARWCWHOF-HDICACEKSA-N 1 0 480.579 4.254 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(CC2CCCC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001316506457 1066482708 /nfs/dbraw/zinc/48/27/08/1066482708.db2.gz MIJWHNNPZCVUKQ-NRFANRHFSA-N 1 0 469.674 4.393 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Br)cc2)n1CCC[NH+]1CCCC1 ZINC001316507113 1066483804 /nfs/dbraw/zinc/48/38/04/1066483804.db2.gz UYMRZKVCTPFHSF-SFHVURJKSA-N 1 0 492.462 4.109 20 0 JIADRO FC(F)(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316509552 1066491867 /nfs/dbraw/zinc/49/18/67/1066491867.db2.gz WYUCDOAMSKBCEO-KRWDZBQOSA-N 1 0 483.405 4.420 20 0 JIADRO FC(F)(F)C1CCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001316509950 1066492334 /nfs/dbraw/zinc/49/23/34/1066492334.db2.gz JNAIGILGJMSBKU-UHFFFAOYSA-N 1 0 451.541 4.170 20 0 JIADRO FC(F)(F)CC1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)CC1 ZINC001316510164 1066493122 /nfs/dbraw/zinc/49/31/22/1066493122.db2.gz DMOLLDXVQQWLLT-UHFFFAOYSA-N 1 0 459.607 4.148 20 0 JIADRO FC(F)(F)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001316512716 1066500339 /nfs/dbraw/zinc/50/03/39/1066500339.db2.gz MVFUANGRSXHWCL-UHFFFAOYSA-N 1 0 471.955 4.490 20 0 JIADRO FC(F)(F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316513326 1066502147 /nfs/dbraw/zinc/50/21/47/1066502147.db2.gz OQOQQGZHNHHHCR-CQSZACIVSA-N 1 0 464.319 4.401 20 0 JIADRO FC(F)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)C1 ZINC001316515475 1066510095 /nfs/dbraw/zinc/51/00/95/1066510095.db2.gz ASMMVHWVALUUFN-KRWDZBQOSA-N 1 0 498.416 4.302 20 0 JIADRO FC(F)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)C1 ZINC001316515487 1066510306 /nfs/dbraw/zinc/51/03/06/1066510306.db2.gz AZJLMPGWYJTVPR-HNNXBMFYSA-N 1 0 471.394 4.393 20 0 JIADRO FC(F)C(F)(F)COCCn1c(C2CCC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316516472 1066513674 /nfs/dbraw/zinc/51/36/74/1066513674.db2.gz LEPPENOPXIBGQB-UHFFFAOYSA-N 1 0 461.548 4.165 20 0 JIADRO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC001337820671 1066514032 /nfs/dbraw/zinc/51/40/32/1066514032.db2.gz PVEYNLQRBHCNMK-GOSISDBHSA-N 1 0 469.563 4.178 20 0 JIADRO FC(F)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001316518080 1066519337 /nfs/dbraw/zinc/51/93/37/1066519337.db2.gz AJYWRZKLXGNMKX-UHFFFAOYSA-N 1 0 483.007 4.368 20 0 JIADRO Fc1ccc(Br)c(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[NH+]2CCCC2)c1 ZINC001316521436 1066527462 /nfs/dbraw/zinc/52/74/62/1066527462.db2.gz HBQNIDCCSZSXBM-AWEZNQCLSA-N 1 0 472.353 4.424 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Cc3csc(-c4cccc(Br)c4)n3)c2)CC1 ZINC001338464852 1066557618 /nfs/dbraw/zinc/55/76/18/1066557618.db2.gz CRJNWUPKZRCTSH-UHFFFAOYSA-N 1 0 499.478 4.179 20 0 JIADRO C[C@H]1CCc2nc(NC(=O)NCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)sc2C1 ZINC001338478368 1066558330 /nfs/dbraw/zinc/55/83/30/1066558330.db2.gz RQWKGZDRKRTZEA-KRWDZBQOSA-N 1 0 458.628 4.079 20 0 JIADRO COc1cc(CN(C)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC001338579205 1066564854 /nfs/dbraw/zinc/56/48/54/1066564854.db2.gz UZNCHEHMKHZAOE-UHFFFAOYSA-N 1 0 488.632 4.368 20 0 JIADRO Cc1nc(N2CCCCC2)sc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC001338750493 1066570921 /nfs/dbraw/zinc/57/09/21/1066570921.db2.gz BSWPWVWZZBIBJF-UHFFFAOYSA-N 1 0 451.434 4.114 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)C)n3Cc3cccc(Br)n3)CC2)c1 ZINC001492534500 1066581010 /nfs/dbraw/zinc/58/10/10/1066581010.db2.gz DFOCKFZLXFWSOY-UHFFFAOYSA-N 1 0 469.431 4.238 20 0 JIADRO OC1(C(F)(F)F)CCN(c2nnc(-c3ccccn3)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001316581737 1066597015 /nfs/dbraw/zinc/59/70/15/1066597015.db2.gz GMCVEBUKUNXCBX-UHFFFAOYSA-N 1 0 480.579 4.280 20 0 JIADRO OCCCCCn1c(-c2ccccc2Br)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316588868 1066616574 /nfs/dbraw/zinc/61/65/74/1066616574.db2.gz UWTFJUKTCXERSJ-UHFFFAOYSA-N 1 0 476.463 4.325 20 0 JIADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001474661369 1066626520 /nfs/dbraw/zinc/62/65/20/1066626520.db2.gz SQZKFMFVMLFYSD-FQEVSTJZSA-N 1 0 450.624 4.015 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001492539945 1066627058 /nfs/dbraw/zinc/62/70/58/1066627058.db2.gz PFZFNVXMSBIHOV-QFIPXVFZSA-N 1 0 455.647 4.293 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC3CCOCC3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001492539986 1066627214 /nfs/dbraw/zinc/62/72/14/1066627214.db2.gz QKUMAXVKKLWVSG-QFIPXVFZSA-N 1 0 455.647 4.293 20 0 JIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001345017168 1066637953 /nfs/dbraw/zinc/63/79/53/1066637953.db2.gz DVDLHXIBECROES-RUZDIDTESA-N 1 0 457.578 4.266 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)cc1 ZINC001317816924 1066705645 /nfs/dbraw/zinc/70/56/45/1066705645.db2.gz CSKZZPUNKBUBHJ-UHFFFAOYSA-N 1 0 498.631 4.420 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1Cl ZINC001317828579 1066714210 /nfs/dbraw/zinc/71/42/10/1066714210.db2.gz BRPJCGXFAAMTGI-KRWDZBQOSA-N 1 0 459.056 4.147 20 0 JIADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001317833864 1066719133 /nfs/dbraw/zinc/71/91/33/1066719133.db2.gz VHPXRQREEMMSNP-UHFFFAOYSA-N 1 0 478.618 4.082 20 0 JIADRO O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317835974 1066721651 /nfs/dbraw/zinc/72/16/51/1066721651.db2.gz SKZGIMDSTNIVCC-UHFFFAOYSA-N 1 0 489.947 4.262 20 0 JIADRO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)ccc1C ZINC001348611974 1066763117 /nfs/dbraw/zinc/76/31/17/1066763117.db2.gz XYUVDXRGRXYILF-LOSJGSFVSA-N 1 0 477.630 4.066 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)ccc1N1CC[NH+](C)CC1 ZINC001317894952 1066764860 /nfs/dbraw/zinc/76/48/60/1066764860.db2.gz WKEKUUOSFZVSBU-UHFFFAOYSA-N 1 0 470.621 4.026 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001317899886 1066770167 /nfs/dbraw/zinc/77/01/67/1066770167.db2.gz XXHYBMVYKNNWKN-LJQANCHMSA-N 1 0 469.611 4.164 20 0 JIADRO NC(=O)COc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001348768449 1066775625 /nfs/dbraw/zinc/77/56/25/1066775625.db2.gz UVXMFYCTPPCTFG-BJKOFHAPSA-N 1 0 463.965 4.058 20 0 JIADRO Cc1sc2ncnc(SCCC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)c2c1C ZINC001317952667 1066807485 /nfs/dbraw/zinc/80/74/85/1066807485.db2.gz JDAAHXAORVYSAU-UHFFFAOYSA-N 1 0 455.653 4.489 20 0 JIADRO CNC(=O)c1ccc(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349137020 1066813583 /nfs/dbraw/zinc/81/35/83/1066813583.db2.gz DMPKHSZIUKOZFS-GGXMVOPNSA-N 1 0 455.602 4.095 20 0 JIADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001349160721 1066815748 /nfs/dbraw/zinc/81/57/48/1066815748.db2.gz NQHYOQXSYVKKOM-IRXDYDNUSA-N 1 0 457.537 4.289 20 0 JIADRO Cc1ccc(-c2cc(C(=O)Nc3c[nH+]ccc3N3CCN(C)CC3)c3cnn(C(C)C)c3n2)s1 ZINC001317973476 1066824743 /nfs/dbraw/zinc/82/47/43/1066824743.db2.gz PIZSHMDDUYJDKD-UHFFFAOYSA-N 1 0 475.622 4.448 20 0 JIADRO CC1(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001349264750 1066824875 /nfs/dbraw/zinc/82/48/75/1066824875.db2.gz VTGRWDCUEIGBLX-UHFFFAOYSA-N 1 0 455.624 4.102 20 0 JIADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC001317985732 1066832722 /nfs/dbraw/zinc/83/27/22/1066832722.db2.gz SXHLOSJSRVTGNJ-DEOSSOPVSA-N 1 0 462.638 4.083 20 0 JIADRO CC[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001349593836 1066858999 /nfs/dbraw/zinc/85/89/99/1066858999.db2.gz WIOGHAUZNJNONK-DNVJHFABSA-N 1 0 459.631 4.374 20 0 JIADRO C[NH+](C)CCn1c2cc(NC(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)ccc2oc1=O ZINC001318053641 1066873246 /nfs/dbraw/zinc/87/32/46/1066873246.db2.gz WTSWLIWDEYPAOB-UHFFFAOYSA-N 1 0 482.544 4.020 20 0 JIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC001318054720 1066873918 /nfs/dbraw/zinc/87/39/18/1066873918.db2.gz YWENXPQXSXINFP-UHFFFAOYSA-N 1 0 462.550 4.210 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001318065637 1066881610 /nfs/dbraw/zinc/88/16/10/1066881610.db2.gz XTYQZJZAHVIKEL-HSZRJFAPSA-N 1 0 469.651 4.404 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)(C(F)(F)F)C1 ZINC001349792222 1066883624 /nfs/dbraw/zinc/88/36/24/1066883624.db2.gz DWNGYFGDVFCUPH-IERDGZPVSA-N 1 0 459.509 4.112 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001318090480 1066894626 /nfs/dbraw/zinc/89/46/26/1066894626.db2.gz LKANZDMGBBHVAC-QHCPKHFHSA-N 1 0 484.438 4.097 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)ccc1Cl ZINC001350103558 1066917980 /nfs/dbraw/zinc/91/79/80/1066917980.db2.gz YESFBQQWTJIIOG-FQEVSTJZSA-N 1 0 450.004 4.367 20 0 JIADRO COCCOc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001350114960 1066919976 /nfs/dbraw/zinc/91/99/76/1066919976.db2.gz KJORHCIVAGXMOO-UHFFFAOYSA-N 1 0 459.590 4.282 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OC(F)F)cn1 ZINC001350124343 1066920946 /nfs/dbraw/zinc/92/09/46/1066920946.db2.gz ZRBAYOFRIWEYPP-UHFFFAOYSA-N 1 0 452.505 4.253 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)c(C)c2)CC1 ZINC001350123231 1066921151 /nfs/dbraw/zinc/92/11/51/1066921151.db2.gz KDCICLVHGCYCIY-UHFFFAOYSA-N 1 0 459.381 4.277 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCOC(C)C)c1 ZINC001492547463 1066928427 /nfs/dbraw/zinc/92/84/27/1066928427.db2.gz ZRWDCJDCEFWUTL-UHFFFAOYSA-N 1 0 455.647 4.435 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001350190830 1066928772 /nfs/dbraw/zinc/92/87/72/1066928772.db2.gz HABHUKYFQPCQOE-HSZRJFAPSA-N 1 0 452.599 4.108 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492547544 1066931154 /nfs/dbraw/zinc/93/11/54/1066931154.db2.gz BMNZTAFPJKPEII-ILBGXUMGSA-N 1 0 469.674 4.395 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001318163757 1066932183 /nfs/dbraw/zinc/93/21/83/1066932183.db2.gz CNWYBUFFUAWXJV-UHFFFAOYSA-N 1 0 466.626 4.347 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC001318172794 1066939159 /nfs/dbraw/zinc/93/91/59/1066939159.db2.gz BUMPYPZKFLUIHA-HXUWFJFHSA-N 1 0 469.651 4.268 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)C1 ZINC001318173877 1066939590 /nfs/dbraw/zinc/93/95/90/1066939590.db2.gz SOHBKDVHNWYBQQ-GOSISDBHSA-N 1 0 463.578 4.389 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318177780 1066941369 /nfs/dbraw/zinc/94/13/69/1066941369.db2.gz RCPGXUDCKUGRCT-NIYFSFCBSA-N 1 0 493.627 4.186 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1csc(I)n1 ZINC001350339641 1066945518 /nfs/dbraw/zinc/94/55/18/1066945518.db2.gz JINHZNMUIGMHGI-ZDUSSCGKSA-N 1 0 455.365 4.052 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccsc1 ZINC001318185191 1066945809 /nfs/dbraw/zinc/94/58/09/1066945809.db2.gz XRJFBUSNCWPLDI-LJQANCHMSA-N 1 0 452.605 4.297 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)c1 ZINC001350500123 1066965571 /nfs/dbraw/zinc/96/55/71/1066965571.db2.gz APSXNGFXUVMJJM-UHFFFAOYSA-N 1 0 458.921 4.458 20 0 JIADRO COc1ccc(C[C@H](C)N(C)C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001318242952 1066980438 /nfs/dbraw/zinc/98/04/38/1066980438.db2.gz MBTVPOMHTOCZGA-QHCPKHFHSA-N 1 0 452.643 4.178 20 0 JIADRO Cc1c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001350677136 1066987847 /nfs/dbraw/zinc/98/78/47/1066987847.db2.gz DPXQRWCSZYLKBX-UHFFFAOYSA-N 1 0 457.500 4.395 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001350848479 1067009266 /nfs/dbraw/zinc/00/92/66/1067009266.db2.gz NATXDKPGOIALSO-UHFFFAOYSA-N 1 0 456.978 4.377 20 0 JIADRO O=C(c1nc(Br)ccc1Br)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001350856827 1067010532 /nfs/dbraw/zinc/01/05/32/1067010532.db2.gz SQWKPYJQQLLQCV-CYBMUJFWSA-N 1 0 451.162 4.231 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 ZINC001318319980 1067015803 /nfs/dbraw/zinc/01/58/03/1067015803.db2.gz ZZHLQGXQYVWWRZ-UHFFFAOYSA-N 1 0 498.656 4.095 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC001318327099 1067018765 /nfs/dbraw/zinc/01/87/65/1067018765.db2.gz QYJFYRGBEURGOC-UHFFFAOYSA-N 1 0 461.591 4.308 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001300683723 1067021583 /nfs/dbraw/zinc/02/15/83/1067021583.db2.gz NFHNURDYGCRHOS-JOCHJYFZSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc21 ZINC001318364515 1067032624 /nfs/dbraw/zinc/03/26/24/1067032624.db2.gz TXDHRNBNXQYMIU-UHFFFAOYSA-N 1 0 457.372 4.252 20 0 JIADRO COc1cc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc(Br)c1OCc1ccccc1 ZINC001318368770 1067033321 /nfs/dbraw/zinc/03/33/21/1067033321.db2.gz ZGPSJJXHYRFICK-CYBMUJFWSA-N 1 0 475.305 4.193 20 0 JIADRO C[N@H+](CCN(Cc1ccccc1)C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC001354673655 1067036310 /nfs/dbraw/zinc/03/63/10/1067036310.db2.gz FXPPKUDOSWMQMW-SQFISAMPSA-N 1 0 455.558 4.192 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCc3cccc(COCc4ccccc4)c3)c2)CC1 ZINC001318433510 1067041625 /nfs/dbraw/zinc/04/16/25/1067041625.db2.gz BMFVLLBAUQGGRS-UHFFFAOYSA-N 1 0 472.633 4.150 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)cn2)c1 ZINC001318434283 1067042318 /nfs/dbraw/zinc/04/23/18/1067042318.db2.gz MMRHBLQMKUXKHR-UHFFFAOYSA-N 1 0 473.621 4.238 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC001318509944 1067050385 /nfs/dbraw/zinc/05/03/85/1067050385.db2.gz TXLDOFJEUFTFJG-UHFFFAOYSA-N 1 0 461.541 4.152 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)c2)CC1 ZINC001318587007 1067053708 /nfs/dbraw/zinc/05/37/08/1067053708.db2.gz ZRCPJHFZCTZIGL-UHFFFAOYSA-N 1 0 476.568 4.312 20 0 JIADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N2CCC([NH+](CC)CC)CC2)c(Cl)cc1Cl ZINC001318619917 1067056920 /nfs/dbraw/zinc/05/69/20/1067056920.db2.gz FRJOUQDJNQHJEB-OAHLLOKOSA-N 1 0 478.486 4.407 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)CC2)cc1 ZINC001319056073 1067065824 /nfs/dbraw/zinc/06/58/24/1067065824.db2.gz FFTCQACDUJVEOM-HHHXNRCGSA-N 1 0 469.585 4.285 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001351288024 1067070974 /nfs/dbraw/zinc/07/09/74/1067070974.db2.gz KOVKPSCAAGVPOL-FYYLOGMGSA-N 1 0 455.599 4.460 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C1 ZINC001319462154 1067073364 /nfs/dbraw/zinc/07/33/64/1067073364.db2.gz ACSSDDSMYFHCIW-IBGZPJMESA-N 1 0 458.562 4.201 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001320102986 1067085882 /nfs/dbraw/zinc/08/58/82/1067085882.db2.gz OTYYHWZZUGEKRI-OFNKIYASSA-N 1 0 490.570 4.220 20 0 JIADRO COc1ncccc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300713396 1067088269 /nfs/dbraw/zinc/08/82/69/1067088269.db2.gz XZKZBHLHEUWPRJ-UHFFFAOYSA-N 1 0 484.595 4.156 20 0 JIADRO CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC001320810107 1067094057 /nfs/dbraw/zinc/09/40/57/1067094057.db2.gz WTOZXMXYTDKRIK-HSZRJFAPSA-N 1 0 458.628 4.032 20 0 JIADRO CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)[C@@H]1CCC[N@H+](C)C1 ZINC001354791275 1067099865 /nfs/dbraw/zinc/09/98/65/1067099865.db2.gz IDDRZVNQHIKRFI-LLVKDONJSA-N 1 0 451.827 4.043 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001321450715 1067133655 /nfs/dbraw/zinc/13/36/55/1067133655.db2.gz QFAWIONCRRAMRJ-XMMPIXPASA-N 1 0 464.610 4.047 20 0 JIADRO COc1cc([C@@H](C)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1OCC(C)C ZINC001321562959 1067166640 /nfs/dbraw/zinc/16/66/40/1067166640.db2.gz IVGGPKDKQMRUGS-HXUWFJFHSA-N 1 0 454.615 4.042 20 0 JIADRO CCn1c2ccccc2c2cc(CN(C)C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC001321590081 1067172784 /nfs/dbraw/zinc/17/27/84/1067172784.db2.gz RAQDXGUBDXGQQU-UHFFFAOYSA-N 1 0 499.663 4.348 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001321629590 1067182012 /nfs/dbraw/zinc/18/20/12/1067182012.db2.gz HZOKNRJSVVRUOK-UHFFFAOYSA-N 1 0 470.598 4.086 20 0 JIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCC(=O)N2CCC[C@H](C)C2)c1 ZINC001321650576 1067189587 /nfs/dbraw/zinc/18/95/87/1067189587.db2.gz NQQBFMCWBWNZNO-FQEVSTJZSA-N 1 0 462.594 4.295 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001200803544 1067213453 /nfs/dbraw/zinc/21/34/53/1067213453.db2.gz ASNYMJNBESADJK-NSHDSACASA-N 1 0 451.203 4.121 20 0 JIADRO CCOc1ccc([C@@]2(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CC2(Cl)Cl)cc1 ZINC001354865718 1067218771 /nfs/dbraw/zinc/21/87/71/1067218771.db2.gz FEYJIVTWINMSCL-OAQYLSRUSA-N 1 0 457.467 4.379 20 0 JIADRO COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1OC ZINC001321993374 1067237687 /nfs/dbraw/zinc/23/76/87/1067237687.db2.gz GUMXHFWPBLZKDH-UHFFFAOYSA-N 1 0 468.598 4.001 20 0 JIADRO CSc1nnnn1-c1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001351905328 1067239566 /nfs/dbraw/zinc/23/95/66/1067239566.db2.gz BDNDHBASJHNCCW-DENIHFKCSA-N 1 0 450.612 4.117 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152549 1067257819 /nfs/dbraw/zinc/25/78/19/1067257819.db2.gz ADANBIQQGXGXAZ-VXQMPNGUSA-N 1 0 461.606 4.185 20 0 JIADRO CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC001322202741 1067262105 /nfs/dbraw/zinc/26/21/05/1067262105.db2.gz WIRILPSNOMHMPA-MRXNPFEDSA-N 1 0 477.652 4.380 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300749178 1067265633 /nfs/dbraw/zinc/26/56/33/1067265633.db2.gz PDPARDGSWHJZKZ-BHIFYINESA-N 1 0 490.693 4.086 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001354919674 1067280947 /nfs/dbraw/zinc/28/09/47/1067280947.db2.gz AJHSZHFCAMWGTF-INIZCTEOSA-N 1 0 454.514 4.285 20 0 JIADRO CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC001322351937 1067282016 /nfs/dbraw/zinc/28/20/16/1067282016.db2.gz ZRKGBUZHRFNZHE-UHFFFAOYSA-N 1 0 457.596 4.365 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300756616 1067284167 /nfs/dbraw/zinc/28/41/67/1067284167.db2.gz YAZFCBRDUPMKDP-UGKGYDQZSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001300756845 1067285078 /nfs/dbraw/zinc/28/50/78/1067285078.db2.gz ZMJLBYBGFHKBKB-NFBKMPQASA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCCC2)C1 ZINC001300758250 1067290314 /nfs/dbraw/zinc/29/03/14/1067290314.db2.gz CAOXHZCYJJWZFY-GOSISDBHSA-N 1 0 480.426 4.338 20 0 JIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)cc2)cs1 ZINC001322425295 1067291144 /nfs/dbraw/zinc/29/11/44/1067291144.db2.gz WCCFXXXENQDGPD-LJQANCHMSA-N 1 0 463.651 4.426 20 0 JIADRO Cc1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n(-c2ccc(C)cc2)n1 ZINC001322460915 1067296913 /nfs/dbraw/zinc/29/69/13/1067296913.db2.gz PVACFASYCCUTFR-IBGZPJMESA-N 1 0 450.562 4.263 20 0 JIADRO C[C@@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001322481457 1067298999 /nfs/dbraw/zinc/29/89/99/1067298999.db2.gz SDHDFCURMAWDLT-HXUWFJFHSA-N 1 0 489.595 4.390 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001300761555 1067301209 /nfs/dbraw/zinc/30/12/09/1067301209.db2.gz QGTAAZMYWOGIHA-HKUYNNGSSA-N 1 0 482.456 4.368 20 0 JIADRO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001322567616 1067302953 /nfs/dbraw/zinc/30/29/53/1067302953.db2.gz WVTZLYMOKHDCCE-GFCCVEGCSA-N 1 0 481.828 4.269 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)NC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001200827621 1067307770 /nfs/dbraw/zinc/30/77/70/1067307770.db2.gz KTBYKBDPFRRIBB-UHFFFAOYSA-N 1 0 451.423 4.108 20 0 JIADRO O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001352215297 1067311699 /nfs/dbraw/zinc/31/16/99/1067311699.db2.gz KVZHPWAOSGCORG-BJKOFHAPSA-N 1 0 451.517 4.258 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)[NH+]1CCCC1 ZINC001322972129 1067312227 /nfs/dbraw/zinc/31/22/27/1067312227.db2.gz VPWMTBUJHBEGBQ-FQEVSTJZSA-N 1 0 487.373 4.349 20 0 JIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001323295584 1067317133 /nfs/dbraw/zinc/31/71/33/1067317133.db2.gz NBCHXOJMGBOHPK-UHFFFAOYSA-N 1 0 467.566 4.228 20 0 JIADRO CN(CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001352267705 1067320813 /nfs/dbraw/zinc/32/08/13/1067320813.db2.gz APTXTJDVQYCSDA-HXUWFJFHSA-N 1 0 457.571 4.092 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001492495158 1067322777 /nfs/dbraw/zinc/32/27/77/1067322777.db2.gz RCLDNBGKZMEKPU-HXUWFJFHSA-N 1 0 496.681 4.124 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CCC[NH+]2CCCCC2)n1 ZINC001492495310 1067323395 /nfs/dbraw/zinc/32/33/95/1067323395.db2.gz UYIDQKNVBHNRDK-NRFANRHFSA-N 1 0 496.681 4.125 20 0 JIADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001354994197 1067325057 /nfs/dbraw/zinc/32/50/57/1067325057.db2.gz UAWPSEANEWSOKB-CRICUBBOSA-N 1 0 450.558 4.367 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352289267 1067325671 /nfs/dbraw/zinc/32/56/71/1067325671.db2.gz ZJXAJNWQXLKNBY-BDTNDASRSA-N 1 0 455.624 4.342 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCCN(c4ccccc4)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492496577 1067331613 /nfs/dbraw/zinc/33/16/13/1067331613.db2.gz AGCHMCAGNUEJKR-QHCPKHFHSA-N 1 0 461.658 4.342 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cn(C)nc2-c2cc(F)ccc2F)[NH+]2CCCCC2)cc1 ZINC001352318860 1067331654 /nfs/dbraw/zinc/33/16/54/1067331654.db2.gz SQBDIDTZCMYOBD-HSZRJFAPSA-N 1 0 454.521 4.331 20 0 JIADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000500871535 1067332920 /nfs/dbraw/zinc/33/29/20/1067332920.db2.gz YIUZZZKGGFVCKB-MRXNPFEDSA-N 1 0 498.571 4.185 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001492497278 1067336540 /nfs/dbraw/zinc/33/65/40/1067336540.db2.gz RUDAHQGNVQGDDR-QHCPKHFHSA-N 1 0 489.668 4.036 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001300781635 1067337008 /nfs/dbraw/zinc/33/70/08/1067337008.db2.gz AXNAPSKAHNSYKM-OAQYLSRUSA-N 1 0 464.658 4.413 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001300781737 1067337451 /nfs/dbraw/zinc/33/74/51/1067337451.db2.gz CHJBDCJFBCPIHH-UHFFFAOYSA-N 1 0 493.656 4.048 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300000863 1067337791 /nfs/dbraw/zinc/33/77/91/1067337791.db2.gz MUCYWFYBUODMQL-JOCHJYFZSA-N 1 0 479.673 4.308 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001300782008 1067337783 /nfs/dbraw/zinc/33/77/83/1067337783.db2.gz FUPXQPMSBBJHQA-OXQOHEQNSA-N 1 0 499.553 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001300782003 1067337961 /nfs/dbraw/zinc/33/79/61/1067337961.db2.gz FUPXQPMSBBJHQA-JXFKEZNVSA-N 1 0 499.553 4.130 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001300782304 1067338647 /nfs/dbraw/zinc/33/86/47/1067338647.db2.gz KXYPJURENIICPS-FQEVSTJZSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497582 1067338704 /nfs/dbraw/zinc/33/87/04/1067338704.db2.gz BHLPDGPAHQZARD-RXVVDRJESA-N 1 0 453.660 4.465 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492497961 1067340295 /nfs/dbraw/zinc/34/02/95/1067340295.db2.gz NOMOGXHLOSHCHF-XUZZJYLKSA-N 1 0 462.642 4.245 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC001300002016 1067341966 /nfs/dbraw/zinc/34/19/66/1067341966.db2.gz IQUWDJNQOCFBRD-UHFFFAOYSA-N 1 0 482.629 4.326 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300002204 1067342427 /nfs/dbraw/zinc/34/24/27/1067342427.db2.gz LAPVWSAMEQCYPZ-LJQANCHMSA-N 1 0 453.587 4.456 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2([NH+](C)C)CCC2)c(OC)c1 ZINC001300002860 1067344738 /nfs/dbraw/zinc/34/47/38/1067344738.db2.gz ORUWZTSHBYRRQZ-UHFFFAOYSA-N 1 0 471.005 4.131 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N(C)C[C@H]3CCCOC3)CCCC2)CC1 ZINC001300785514 1067346960 /nfs/dbraw/zinc/34/69/60/1067346960.db2.gz DLMGMFANXWHBNB-OAQYLSRUSA-N 1 0 461.695 4.153 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001300785716 1067347716 /nfs/dbraw/zinc/34/77/16/1067347716.db2.gz QULGHRUMDPTSBT-RTBURBONSA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001300785820 1067347793 /nfs/dbraw/zinc/34/77/93/1067347793.db2.gz ODAMPDYCYSHJLX-PKOBYXMFSA-N 1 0 473.584 4.188 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3C[C@H](C)O[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC001300786019 1067347969 /nfs/dbraw/zinc/34/79/69/1067347969.db2.gz IIPUOFIEGQLIET-ICSRJNTNSA-N 1 0 487.611 4.056 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001300786104 1067348087 /nfs/dbraw/zinc/34/80/87/1067348087.db2.gz KEILBRWVAZIHBL-HXUWFJFHSA-N 1 0 491.627 4.271 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCc3ccccc31)C(C)(C)[NH2+]C(C)(C)C2 ZINC001352354404 1067348816 /nfs/dbraw/zinc/34/88/16/1067348816.db2.gz FVAFOGUMGFWIEX-HNNXBMFYSA-N 1 0 455.624 4.474 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4cccnc4)nnc3N(C)CCOC(C)(C)C)CCCC2)CC1 ZINC001300786460 1067348956 /nfs/dbraw/zinc/34/89/56/1067348956.db2.gz MRGNOWAUSYKJFP-UHFFFAOYSA-N 1 0 470.662 4.015 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3)n2CC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300003911 1067349040 /nfs/dbraw/zinc/34/90/40/1067349040.db2.gz WKJTWCDCIMBBNU-UHFFFAOYSA-N 1 0 453.587 4.456 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300003931 1067349230 /nfs/dbraw/zinc/34/92/30/1067349230.db2.gz XIBVJWDSANXVBO-WOJBJXKFSA-N 1 0 493.656 4.145 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001300786728 1067349753 /nfs/dbraw/zinc/34/97/53/1067349753.db2.gz OWUNBXRVMPMKHO-VXKWHMMOSA-N 1 0 469.674 4.456 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001300786832 1067349908 /nfs/dbraw/zinc/34/99/08/1067349908.db2.gz SGRPBBZUSJADIU-UMSFTDKQSA-N 1 0 487.714 4.199 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H]2C)CC1 ZINC001300787455 1067351100 /nfs/dbraw/zinc/35/11/00/1067351100.db2.gz UIMUDZRKIPJDSP-FPOVZHCZSA-N 1 0 490.693 4.228 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)CC1 ZINC001300787582 1067351714 /nfs/dbraw/zinc/35/17/14/1067351714.db2.gz XLUBFJRMSJTEJL-SFHVURJKSA-N 1 0 465.593 4.276 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001300787623 1067352096 /nfs/dbraw/zinc/35/20/96/1067352096.db2.gz VMSKBSASTSTMSN-OYRHEFFESA-N 1 0 487.714 4.385 20 0 JIADRO C[C@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001355035991 1067352573 /nfs/dbraw/zinc/35/25/73/1067352573.db2.gz AIXQZUAZNYFLIN-FXAWDEMLSA-N 1 0 453.384 4.418 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccsc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300006823 1067356247 /nfs/dbraw/zinc/35/62/47/1067356247.db2.gz RXJQPZXACCUGAM-OAQYLSRUSA-N 1 0 485.654 4.017 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300010212 1067362114 /nfs/dbraw/zinc/36/21/14/1067362114.db2.gz DKYNXXAOBXCNOI-ISJBWFOZSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001300792909 1067364304 /nfs/dbraw/zinc/36/43/04/1067364304.db2.gz BFOOETHJHUZMDG-ZWKOTPCHSA-N 1 0 493.475 4.261 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC001300793111 1067364598 /nfs/dbraw/zinc/36/45/98/1067364598.db2.gz DFPSFUSXSIOMJS-DNVCBOLYSA-N 1 0 480.426 4.192 20 0 JIADRO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=S)Nc1ccccc1Cl)C2 ZINC001200857268 1067366670 /nfs/dbraw/zinc/36/66/70/1067366670.db2.gz XJPWTIWVVNBWPK-UHFFFAOYSA-N 1 0 459.999 4.217 20 0 JIADRO COc1cc(NC(=S)Nc2ccccc2Cl)ccc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001200862954 1067370207 /nfs/dbraw/zinc/37/02/07/1067370207.db2.gz QNSRDKBFKXTLIK-UHFFFAOYSA-N 1 0 474.074 4.374 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492554800 1067371910 /nfs/dbraw/zinc/37/19/10/1067371910.db2.gz WQIPHPGOAHABFL-QHAWAJNXSA-N 1 0 463.630 4.129 20 0 JIADRO CC[NH+](CC)CCN(C(=S)NC[C@@H]1CCCO1)[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001200025017 1067375102 /nfs/dbraw/zinc/37/51/02/1067375102.db2.gz RNPBYGMTTAOJRH-GOTSBHOMSA-N 1 0 463.688 4.014 20 0 JIADRO COc1ccc(-c2nnc(N(C)OC)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001300017160 1067378211 /nfs/dbraw/zinc/37/82/11/1067378211.db2.gz KVWUCMYYQPXVHX-CALCHBBNSA-N 1 0 480.451 4.472 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492581484 1067384223 /nfs/dbraw/zinc/38/42/23/1067384223.db2.gz HVPXCGQZHAPCPO-UHFFFAOYSA-N 1 0 480.701 4.027 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC(C)(C)O ZINC001492581527 1067385135 /nfs/dbraw/zinc/38/51/35/1067385135.db2.gz JADIYOWYFOHYPF-UHFFFAOYSA-N 1 0 453.675 4.431 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCCC(C)(C)C)cc1 ZINC001300021173 1067385444 /nfs/dbraw/zinc/38/54/44/1067385444.db2.gz BYOLZJHKNUSQKG-SQJMNOBHSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300022896 1067390632 /nfs/dbraw/zinc/39/06/32/1067390632.db2.gz GWSIMASRBVHVIU-WOJBJXKFSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300023225 1067391580 /nfs/dbraw/zinc/39/15/80/1067391580.db2.gz JEVCOANFWBBOQR-HXUWFJFHSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001300026641 1067398965 /nfs/dbraw/zinc/39/89/65/1067398965.db2.gz ZZPCBJMXCHHSDH-YTZAWJCFSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001300027863 1067403834 /nfs/dbraw/zinc/40/38/34/1067403834.db2.gz WJDOJALFSQKIAZ-AEFFLSMTSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300028976 1067409520 /nfs/dbraw/zinc/40/95/20/1067409520.db2.gz HIHHJVHRZXEXKS-UHFFFAOYSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300032199 1067427244 /nfs/dbraw/zinc/42/72/44/1067427244.db2.gz DOAFIPUFIVAHJK-ROKPMTFOSA-N 1 0 471.646 4.088 20 0 JIADRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001352481816 1067432882 /nfs/dbraw/zinc/43/28/82/1067432882.db2.gz BVPLEHAUQYMYID-VAVYLYDRSA-N 1 0 455.602 4.448 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300034817 1067438858 /nfs/dbraw/zinc/43/88/58/1067438858.db2.gz VFQBXKQSLRWORP-JTHBVZDNSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(c4ccnn4C)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300036073 1067443474 /nfs/dbraw/zinc/44/34/74/1067443474.db2.gz JUOIUQNJVXTGDL-UHFFFAOYSA-N 1 0 465.646 4.190 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC(=O)N4CCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300037837 1067448789 /nfs/dbraw/zinc/44/87/89/1067448789.db2.gz FEAIDVAAHCTGDM-XMMPIXPASA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)c(OC)c1 ZINC001300038909 1067452925 /nfs/dbraw/zinc/45/29/25/1067452925.db2.gz SVYDOPZOUYIRRV-OAHLLOKOSA-N 1 0 455.525 4.081 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1OC ZINC001300040186 1067459608 /nfs/dbraw/zinc/45/96/08/1067459608.db2.gz HZPVWVDCMORVQJ-REWPJTCUSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300040274 1067460816 /nfs/dbraw/zinc/46/08/16/1067460816.db2.gz KBKLALBUPNJFFV-FGZHOGPDSA-N 1 0 469.674 4.311 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300040275 1067461322 /nfs/dbraw/zinc/46/13/22/1067461322.db2.gz KBKLALBUPNJFFV-SZPZYZBQSA-N 1 0 469.674 4.311 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC001355427339 1067462328 /nfs/dbraw/zinc/46/23/28/1067462328.db2.gz VLCKSGYUHCLVQG-ISKFKSNPSA-N 1 0 455.002 4.029 20 0 JIADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccsc1Br ZINC001355428611 1067463082 /nfs/dbraw/zinc/46/30/82/1067463082.db2.gz FWKKZZAIQLJKCG-UHFFFAOYSA-N 1 0 457.397 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@](C)(O)c2ccco2)cc1OC ZINC001300040701 1067463935 /nfs/dbraw/zinc/46/39/35/1067463935.db2.gz ZWZIYKGARAIMAM-HHHXNRCGSA-N 1 0 497.640 4.020 20 0 JIADRO CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355528523 1067500471 /nfs/dbraw/zinc/50/04/71/1067500471.db2.gz DSBHRVZATXPHTO-DNQXCXABSA-N 1 0 451.611 4.418 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300051629 1067517565 /nfs/dbraw/zinc/51/75/65/1067517565.db2.gz LLXOSXQGBGPMAU-FNZWTVRRSA-N 1 0 471.646 4.090 20 0 JIADRO CC(C)Cn1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1C(F)F ZINC001355592678 1067520557 /nfs/dbraw/zinc/52/05/57/1067520557.db2.gz DZWWBJGIKLNKJF-UHFFFAOYSA-N 1 0 459.463 4.500 20 0 JIADRO CCCc1sc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC001352554471 1067521017 /nfs/dbraw/zinc/52/10/17/1067521017.db2.gz NASCAMYAFIDDMP-GOSISDBHSA-N 1 0 450.446 4.182 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492582167 1067521747 /nfs/dbraw/zinc/52/17/47/1067521747.db2.gz YXLUYTXHJHKSRS-DQEYMECFSA-N 1 0 453.675 4.407 20 0 JIADRO O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC001200071376 1067522015 /nfs/dbraw/zinc/52/20/15/1067522015.db2.gz USGHHGYJMBQZLG-HSZRJFAPSA-N 1 0 457.619 4.107 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001492582302 1067524368 /nfs/dbraw/zinc/52/43/68/1067524368.db2.gz CPCDJDSRXYFIRY-QHCPKHFHSA-N 1 0 482.673 4.109 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492582810 1067533562 /nfs/dbraw/zinc/53/35/62/1067533562.db2.gz UKHYLIOGPNGWLP-DEOSSOPVSA-N 1 0 483.701 4.198 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(C)(C)SC)cc1OC ZINC001300055272 1067535294 /nfs/dbraw/zinc/53/52/94/1067535294.db2.gz DANWZONBJVPNEL-IBGZPJMESA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300056569 1067542256 /nfs/dbraw/zinc/54/22/56/1067542256.db2.gz LNXLBJBDWAHPKB-GHTZIAJQSA-N 1 0 481.563 4.233 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300057038 1067543524 /nfs/dbraw/zinc/54/35/24/1067543524.db2.gz RBLRMTVTQUGGBX-FQEVSTJZSA-N 1 0 486.661 4.035 20 0 JIADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCc2nncn2CC1)[NH+](C)C ZINC001355670399 1067547606 /nfs/dbraw/zinc/54/76/06/1067547606.db2.gz SVZWVSFCYVTEKV-XLIONFOSSA-N 1 0 452.430 4.152 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300058062 1067548812 /nfs/dbraw/zinc/54/88/12/1067548812.db2.gz ZRBLHTMWJYDDTO-JOCHJYFZSA-N 1 0 498.672 4.323 20 0 JIADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=S)NCCc2ccc(OC)c(OC)c2)cc1 ZINC001200080511 1067558911 /nfs/dbraw/zinc/55/89/11/1067558911.db2.gz WEFLYXRVJYCNCQ-JOCHJYFZSA-N 1 0 471.667 4.116 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492584271 1067559063 /nfs/dbraw/zinc/55/90/63/1067559063.db2.gz HEVFIECIGXZBEF-QPPBQGQZSA-N 1 0 496.700 4.259 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492584001 1067567787 /nfs/dbraw/zinc/56/77/87/1067567787.db2.gz AVRZLQPTYIOTGR-NZQKXSOJSA-N 1 0 497.631 4.162 20 0 JIADRO COc1cccc([C@@H](OC)C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001355800441 1067583155 /nfs/dbraw/zinc/58/31/55/1067583155.db2.gz NCQSPEBJNRZZRI-HHHXNRCGSA-N 1 0 459.590 4.339 20 0 JIADRO 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SPUCOMASOTYWQA-CQSZACIVSA-N 1 0 454.739 4.386 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC001358458642 1068096205 /nfs/dbraw/zinc/09/62/05/1068096205.db2.gz ROUITKSNADKJHV-IFMALSPDSA-N 1 0 473.614 4.098 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001200332914 1068098822 /nfs/dbraw/zinc/09/88/22/1068098822.db2.gz MMIRTLBPQTVXDZ-UHFFFAOYSA-N 1 0 459.656 4.358 20 0 JIADRO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478748 1068102212 /nfs/dbraw/zinc/10/22/12/1068102212.db2.gz LOMDOBUQXZKNJJ-RXVVDRJESA-N 1 0 455.986 4.015 20 0 JIADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC001358488498 1068111674 /nfs/dbraw/zinc/11/16/74/1068111674.db2.gz AVDJWTCJLZRLKF-RUZDIDTESA-N 1 0 450.558 4.355 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccco2)cc1 ZINC001300295494 1068114271 /nfs/dbraw/zinc/11/42/71/1068114271.db2.gz CNSAXTRGROBAEL-UHFFFAOYSA-N 1 0 453.587 4.065 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300295949 1068116341 /nfs/dbraw/zinc/11/63/41/1068116341.db2.gz HFMVROYUMKXUAS-XMMPIXPASA-N 1 0 485.673 4.239 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)n1 ZINC000509861939 1068152325 /nfs/dbraw/zinc/15/23/25/1068152325.db2.gz FMMBVZLDTHQNOC-AREMUKBSSA-N 1 0 494.599 4.059 20 0 JIADRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001200347365 1068171322 /nfs/dbraw/zinc/17/13/22/1068171322.db2.gz WOEWJIZAHUQPIW-SFHVURJKSA-N 1 0 452.002 4.291 20 0 JIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001473433381 1068176615 /nfs/dbraw/zinc/17/66/15/1068176615.db2.gz VCLMSSKYVLMRBS-LJQANCHMSA-N 1 0 458.002 4.498 20 0 JIADRO CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC001353486390 1068197854 /nfs/dbraw/zinc/19/78/54/1068197854.db2.gz LOWZFFGBEIFCQU-XMMPIXPASA-N 1 0 452.639 4.379 20 0 JIADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000499371365 1068228648 /nfs/dbraw/zinc/22/86/48/1068228648.db2.gz XPDKGVPXCVJACX-INIZCTEOSA-N 1 0 499.464 4.475 20 0 JIADRO COCCn1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)n1 ZINC000513928646 1068249804 /nfs/dbraw/zinc/24/98/04/1068249804.db2.gz WTJPLBQFEIMXBK-IBGZPJMESA-N 1 0 456.418 4.457 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001300328860 1068262612 /nfs/dbraw/zinc/26/26/12/1068262612.db2.gz BQGWHDIBUGYLGS-UHFFFAOYSA-N 1 0 477.657 4.278 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1(C)C ZINC001473597966 1068265614 /nfs/dbraw/zinc/26/56/14/1068265614.db2.gz OZCHBZMCFLSCRP-FGTMMUONSA-N 1 0 453.530 4.065 20 0 JIADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(OC)cc1Cl ZINC001473606559 1068267161 /nfs/dbraw/zinc/26/71/61/1068267161.db2.gz PZZCYOICLHEULD-GJZGRUSLSA-N 1 0 455.983 4.063 20 0 JIADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc1 ZINC000613441108 1068287607 /nfs/dbraw/zinc/28/76/07/1068287607.db2.gz NOTYEJAFTZKJEI-OYRHEFFESA-N 1 0 474.671 4.110 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N(CC(C)C)C2CCCC2)[NH+](C)C)c1 ZINC001300334874 1068303317 /nfs/dbraw/zinc/30/33/17/1068303317.db2.gz JWMFUFUHTUEIBB-XMMPIXPASA-N 1 0 463.630 4.452 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300338674 1068317391 /nfs/dbraw/zinc/31/73/91/1068317391.db2.gz DAMBMPBLTHNFNR-NTKDMRAZSA-N 1 0 479.673 4.324 20 0 JIADRO COc1ccc(CNc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000519900200 1068317410 /nfs/dbraw/zinc/31/74/10/1068317410.db2.gz DSKBOPBDRXAQRP-FXAWDEMLSA-N 1 0 483.663 4.030 20 0 JIADRO CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)c1 ZINC000521237740 1068330877 /nfs/dbraw/zinc/33/08/77/1068330877.db2.gz KFLOJECUUXMODQ-KKSFZXQISA-N 1 0 496.662 4.111 20 0 JIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000521747942 1068334384 /nfs/dbraw/zinc/33/43/84/1068334384.db2.gz DYQTZRKOKFMHPV-IRXDYDNUSA-N 1 0 469.586 4.199 20 0 JIADRO COc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1OCc1ccc(Br)s1 ZINC000522269788 1068338877 /nfs/dbraw/zinc/33/88/77/1068338877.db2.gz WMQLPJQLSUSXEJ-UHFFFAOYSA-N 1 0 479.400 4.109 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cccs3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300350574 1068360331 /nfs/dbraw/zinc/36/03/31/1068360331.db2.gz ISFDSUHXPWBEHI-OALUTQOASA-N 1 0 455.628 4.151 20 0 JIADRO Brc1ccccc1-c1nnc(N2CCCCCC2)n1CCCC[NH+]1CCOCC1 ZINC001358869232 1068363254 /nfs/dbraw/zinc/36/32/54/1068363254.db2.gz DSNNUFYOZGLIOL-UHFFFAOYSA-N 1 0 462.436 4.200 20 0 JIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC001353637266 1068389750 /nfs/dbraw/zinc/38/97/50/1068389750.db2.gz RVUFOILEJXXQAF-WWRUEGTHSA-N 1 0 450.320 4.239 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001300365063 1068398640 /nfs/dbraw/zinc/39/86/40/1068398640.db2.gz ZKEQLDWUGXPOAX-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCC[NH+]4CCOCC4)CC3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300367411 1068407034 /nfs/dbraw/zinc/40/70/34/1068407034.db2.gz NTACSXAMXWWAKO-RUZDIDTESA-N 1 0 499.700 4.344 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001300374288 1068439598 /nfs/dbraw/zinc/43/95/98/1068439598.db2.gz GMDYQPCOVVONQM-VWNXMTODSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001300375128 1068442971 /nfs/dbraw/zinc/44/29/71/1068442971.db2.gz DEHXULSRBIRTOR-OAQYLSRUSA-N 1 0 486.661 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001300385446 1068482328 /nfs/dbraw/zinc/48/23/28/1068482328.db2.gz PRWXATHBXCLPAH-IBGZPJMESA-N 1 0 494.606 4.149 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001300385657 1068484099 /nfs/dbraw/zinc/48/40/99/1068484099.db2.gz VFXLFVOSYZMEFO-UHFFFAOYSA-N 1 0 498.672 4.275 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2F)C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200427576 1068501936 /nfs/dbraw/zinc/50/19/36/1068501936.db2.gz GQHMGRPHVABVII-OAQYLSRUSA-N 1 0 478.678 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2C[C@H](OC)C(C)C)c1 ZINC001300390274 1068504781 /nfs/dbraw/zinc/50/47/81/1068504781.db2.gz VXWMSEKYBFJCIS-QHCPKHFHSA-N 1 0 469.655 4.051 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCCNc3ccc(C(F)(F)F)cn3)c(C)c2)CC1 ZINC000503402499 1068596084 /nfs/dbraw/zinc/59/60/84/1068596084.db2.gz BBBNGAQPDQSTNJ-UHFFFAOYSA-N 1 0 464.536 4.174 20 0 JIADRO COc1cccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300418936 1068623369 /nfs/dbraw/zinc/62/33/69/1068623369.db2.gz GZCLKNLESLKMRE-DNQXCXABSA-N 1 0 469.674 4.369 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001300421078 1068636630 /nfs/dbraw/zinc/63/66/30/1068636630.db2.gz UEZNCWNUJQAZNT-WOJBJXKFSA-N 1 0 483.682 4.463 20 0 JIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001200462875 1068652208 /nfs/dbraw/zinc/65/22/08/1068652208.db2.gz KJYVDYKPKDTYNC-DEOSSOPVSA-N 1 0 457.640 4.434 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001353844678 1068655532 /nfs/dbraw/zinc/65/55/32/1068655532.db2.gz HWGTTWPCHAVJIW-KRWDZBQOSA-N 1 0 454.621 4.122 20 0 JIADRO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC001300428011 1068671072 /nfs/dbraw/zinc/67/10/72/1068671072.db2.gz MJYIPNIXQXBFBD-UHFFFAOYSA-N 1 0 469.674 4.252 20 0 JIADRO CCC[C@H]1CN(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC[N@@H+]1CCOC ZINC001200473378 1068685233 /nfs/dbraw/zinc/68/52/33/1068685233.db2.gz GKSYQOMIAPZVKC-BNHRFMORSA-N 1 0 457.640 4.100 20 0 JIADRO CCCCCc1nnc(NC(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)s1 ZINC000503521697 1068694622 /nfs/dbraw/zinc/69/46/22/1068694622.db2.gz GBVWKANTUYKFIJ-UHFFFAOYSA-N 1 0 460.648 4.420 20 0 JIADRO CCCN(CC[NH+](C)C)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001353877204 1068705333 /nfs/dbraw/zinc/70/53/33/1068705333.db2.gz RWUAYLNYUFLBQN-UHFFFAOYSA-N 1 0 453.843 4.291 20 0 JIADRO COc1cccc(Cl)c1Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300439439 1068709272 /nfs/dbraw/zinc/70/92/72/1068709272.db2.gz MUQCTMWUPPIJDP-UHFFFAOYSA-N 1 0 455.006 4.279 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001300440854 1068714361 /nfs/dbraw/zinc/71/43/61/1068714361.db2.gz YRGCIBDORBXTEC-UHFFFAOYSA-N 1 0 458.626 4.140 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC(C)C ZINC001300455916 1068774662 /nfs/dbraw/zinc/77/46/62/1068774662.db2.gz DLZVFWZGDWXSPK-XMMPIXPASA-N 1 0 495.672 4.164 20 0 JIADRO COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCCCC1)[NH+]1CCCC1 ZINC001300457079 1068779280 /nfs/dbraw/zinc/77/92/80/1068779280.db2.gz ZSOAHWTYWSANCA-QFIPXVFZSA-N 1 0 468.646 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300462982 1068800813 /nfs/dbraw/zinc/80/08/13/1068800813.db2.gz BFAXSFPCRZIYSO-GGAORHGYSA-N 1 0 468.690 4.242 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300464887 1068802781 /nfs/dbraw/zinc/80/27/81/1068802781.db2.gz MVTJDVIYGRYZPT-UHFFFAOYSA-N 1 0 484.689 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N(Cc2ccco2)C(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300474054 1068820465 /nfs/dbraw/zinc/82/04/65/1068820465.db2.gz SBTFLUWEDLAEAL-QHCPKHFHSA-N 1 0 467.614 4.319 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300480426 1068833293 /nfs/dbraw/zinc/83/32/93/1068833293.db2.gz AALWXMUHQSBXDR-LJQANCHMSA-N 1 0 460.420 4.173 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001492567625 1068836501 /nfs/dbraw/zinc/83/65/01/1068836501.db2.gz KFBNHTIRULVBKD-OAQYLSRUSA-N 1 0 468.646 4.233 20 0 JIADRO COc1cc(NC(=S)N2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(OC)cc1Cl ZINC001200534390 1068843033 /nfs/dbraw/zinc/84/30/33/1068843033.db2.gz CTPGZAQQPFUWFG-MRXNPFEDSA-N 1 0 480.030 4.403 20 0 JIADRO COc1cc(NC(=S)N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(OC)cc1Cl ZINC001200535993 1068849051 /nfs/dbraw/zinc/84/90/51/1068849051.db2.gz YTWMEYACNFMWAV-UWVAXJGDSA-N 1 0 478.062 4.124 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300494693 1068862750 /nfs/dbraw/zinc/86/27/50/1068862750.db2.gz TVRZZOWFWSAEBY-OAQYLSRUSA-N 1 0 455.647 4.061 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300497184 1068865245 /nfs/dbraw/zinc/86/52/45/1068865245.db2.gz JVOIBIBPJRVJGF-NRFANRHFSA-N 1 0 496.700 4.349 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300497186 1068865259 /nfs/dbraw/zinc/86/52/59/1068865259.db2.gz JVOIBIBPJRVJGF-OAQYLSRUSA-N 1 0 496.700 4.349 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCCCCO ZINC001300498418 1068866895 /nfs/dbraw/zinc/86/68/95/1068866895.db2.gz NIIZWRVCAWMPOQ-QFIPXVFZSA-N 1 0 455.647 4.065 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 ZINC001354065773 1068874333 /nfs/dbraw/zinc/87/43/33/1068874333.db2.gz BZRPOBHCGJHOPT-IBGZPJMESA-N 1 0 458.002 4.283 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001300506287 1068878666 /nfs/dbraw/zinc/87/86/66/1068878666.db2.gz QRDRGPKLUAETMY-UHFFFAOYSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001300506931 1068880333 /nfs/dbraw/zinc/88/03/33/1068880333.db2.gz GCYZMKHZBIMIBR-HXUWFJFHSA-N 1 0 498.672 4.274 20 0 JIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@@H](C)C1 ZINC001354075691 1068882464 /nfs/dbraw/zinc/88/24/64/1068882464.db2.gz GIMXECAZFYVXPB-OXJNMPFZSA-N 1 0 459.432 4.316 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300514111 1068895893 /nfs/dbraw/zinc/89/58/93/1068895893.db2.gz XHNYZSNNVFXJEQ-UXHICEINSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300523122 1068919450 /nfs/dbraw/zinc/91/94/50/1068919450.db2.gz DYESESSLLUJRJA-GGAORHGYSA-N 1 0 469.674 4.454 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001300523722 1068920976 /nfs/dbraw/zinc/92/09/76/1068920976.db2.gz AXLOJQSKAUKWBI-BDTNDASRSA-N 1 0 469.674 4.367 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCCOCC2CCOCC2)c1 ZINC001354155017 1068934868 /nfs/dbraw/zinc/93/48/68/1068934868.db2.gz USNCROALNXMTKJ-RRPNLBNLSA-N 1 0 450.623 4.160 20 0 JIADRO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)[C@H]1C[N@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529008 1068936655 /nfs/dbraw/zinc/93/66/55/1068936655.db2.gz LIKJFCHWJMEKJD-JTHBVZDNSA-N 1 0 456.533 4.167 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300530193 1068939558 /nfs/dbraw/zinc/93/95/58/1068939558.db2.gz MUNPAQQLPPMJCJ-JOCHJYFZSA-N 1 0 476.669 4.462 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)cs2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300533990 1068950722 /nfs/dbraw/zinc/95/07/22/1068950722.db2.gz AZZQOGBVSIFRPO-NRFANRHFSA-N 1 0 483.682 4.385 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200584610 1068953343 /nfs/dbraw/zinc/95/33/43/1068953343.db2.gz RJQGJEAHEQKDNM-LJQANCHMSA-N 1 0 470.054 4.405 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300535497 1068954580 /nfs/dbraw/zinc/95/45/80/1068954580.db2.gz JSONGGCQYNXTES-KRWDZBQOSA-N 1 0 488.430 4.354 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300536492 1068956950 /nfs/dbraw/zinc/95/69/50/1068956950.db2.gz PHRWSDOEZPVCHT-RBUKOAKNSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cccs2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300536567 1068957182 /nfs/dbraw/zinc/95/71/82/1068957182.db2.gz QNFUYOYBISGJRD-UHFFFAOYSA-N 1 0 483.682 4.465 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001200587172 1068961536 /nfs/dbraw/zinc/96/15/36/1068961536.db2.gz MFVCLYDALTZHRJ-OAHLLOKOSA-N 1 0 457.015 4.239 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H](C)c2nccs2)n1CC1([NH+](C)C)CCC1 ZINC001300538287 1068963459 /nfs/dbraw/zinc/96/34/59/1068963459.db2.gz SUOQTGCNEPAKLZ-SFHVURJKSA-N 1 0 454.644 4.058 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001300539538 1068967189 /nfs/dbraw/zinc/96/71/89/1068967189.db2.gz JAQKJVARGBOQEX-HNNXBMFYSA-N 1 0 478.460 4.288 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001492568709 1068977829 /nfs/dbraw/zinc/97/78/29/1068977829.db2.gz XALQGUDEXHNHBA-UHFFFAOYSA-N 1 0 492.615 4.334 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001300549477 1068995364 /nfs/dbraw/zinc/99/53/64/1068995364.db2.gz XXQCNAUNPCGBOP-UHFFFAOYSA-N 1 0 463.548 4.452 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001492586282 1069000844 /nfs/dbraw/zinc/00/08/44/1069000844.db2.gz CBNOJKGCEYXNSX-UHFFFAOYSA-N 1 0 462.642 4.328 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492586757 1069004888 /nfs/dbraw/zinc/00/48/88/1069004888.db2.gz RXXQZNQHWNSFMV-FCHUYYIVSA-N 1 0 492.634 4.371 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492586712 1069004926 /nfs/dbraw/zinc/00/49/26/1069004926.db2.gz QOKCORWHWYVBJX-HSZRJFAPSA-N 1 0 482.673 4.107 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001492586660 1069005068 /nfs/dbraw/zinc/00/50/68/1069005068.db2.gz PCDPDTOANSNQPQ-JOCHJYFZSA-N 1 0 482.673 4.109 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300557690 1069018229 /nfs/dbraw/zinc/01/82/29/1069018229.db2.gz OWPSDQZYDZCKMA-ISKFKSNPSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300560463 1069027857 /nfs/dbraw/zinc/02/78/57/1069027857.db2.gz BOLBXYAREWNPIT-YPCDYVTLSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492588143 1069032791 /nfs/dbraw/zinc/03/27/91/1069032791.db2.gz KOFCMEHMZZWRCY-CUBQBAPOSA-N 1 0 483.701 4.056 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492571594 1069039025 /nfs/dbraw/zinc/03/90/25/1069039025.db2.gz DBBZEGDUWQDODX-SFHLNBCPSA-N 1 0 465.564 4.245 20 0 JIADRO Cc1ccccc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001492590652 1069041474 /nfs/dbraw/zinc/04/14/74/1069041474.db2.gz QRYKLBQMNGSGMX-XMMPIXPASA-N 1 0 496.700 4.474 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492589910 1069044441 /nfs/dbraw/zinc/04/44/41/1069044441.db2.gz AUUZMNDJZCEKBH-YYDVJCTNSA-N 1 0 463.642 4.342 20 0 JIADRO Cc1ccccc1[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492572960 1069048446 /nfs/dbraw/zinc/04/84/46/1069048446.db2.gz LXFOOYUOSZXXHG-GMAHTHKFSA-N 1 0 452.647 4.027 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486018 1069052983 /nfs/dbraw/zinc/05/29/83/1069052983.db2.gz DODYKALAXFAKDJ-DHIUTWEWSA-N 1 0 451.640 4.025 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849488696 1069056509 /nfs/dbraw/zinc/05/65/09/1069056509.db2.gz IHQLGCPSVUQNHQ-NHCUHLMSSA-N 1 0 452.580 4.153 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCSC(F)(F)F ZINC001300566406 1069057204 /nfs/dbraw/zinc/05/72/04/1069057204.db2.gz AGOMJPDFRAHVQW-UHFFFAOYSA-N 1 0 471.593 4.441 20 0 JIADRO Cc1sc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492028 1069059429 /nfs/dbraw/zinc/05/94/29/1069059429.db2.gz PKFOZJREXDFERE-QZTJIDSGSA-N 1 0 461.538 4.127 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491781 1069060538 /nfs/dbraw/zinc/06/05/38/1069060538.db2.gz ANLXVGRRTCMDNJ-SFTDATJTSA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493050 1069061499 /nfs/dbraw/zinc/06/14/99/1069061499.db2.gz ZINDZMOEHUCFMS-RBBKRZOGSA-N 1 0 470.520 4.371 20 0 JIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c1 ZINC000849493066 1069061588 /nfs/dbraw/zinc/06/15/88/1069061588.db2.gz ZROWSDHUBVINIS-QUCCMNQESA-N 1 0 469.611 4.013 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493576 1069064755 /nfs/dbraw/zinc/06/47/55/1069064755.db2.gz YAEAQBPPZSLWBM-QZTJIDSGSA-N 1 0 464.422 4.448 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494614 1069066871 /nfs/dbraw/zinc/06/68/71/1069066871.db2.gz WQXDYJRTUWUDOO-RBUKOAKNSA-N 1 0 486.498 4.104 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495474 1069066892 /nfs/dbraw/zinc/06/68/92/1069066892.db2.gz CRNDODJRWBHGMM-PMOQBDJRSA-N 1 0 456.631 4.155 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849496372 1069067608 /nfs/dbraw/zinc/06/76/08/1069067608.db2.gz KBDPSVHCXIYGMQ-XZOQPEGZSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849495805 1069068668 /nfs/dbraw/zinc/06/86/68/1069068668.db2.gz FLQKQIKAXSSOLI-XYVMCAHJSA-N 1 0 468.486 4.260 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501998 1069075597 /nfs/dbraw/zinc/07/55/97/1069075597.db2.gz OVPZNMOBCLAJRU-BJKOFHAPSA-N 1 0 476.577 4.180 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)[NH+]1CCCC1 ZINC000504151511 1069075862 /nfs/dbraw/zinc/07/58/62/1069075862.db2.gz HXICGGQTCCNAMC-LJQANCHMSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502772 1069076705 /nfs/dbraw/zinc/07/67/05/1069076705.db2.gz SHDGIVIOUCSEIE-WOJBJXKFSA-N 1 0 471.602 4.228 20 0 JIADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC001354298376 1069082226 /nfs/dbraw/zinc/08/22/26/1069082226.db2.gz MNJKWPFYSZAKNG-UHFFFAOYSA-N 1 0 451.954 4.261 20 0 JIADRO CCOc1ccc(Oc2cc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504820 1069083194 /nfs/dbraw/zinc/08/31/94/1069083194.db2.gz QVFSUQDAMMBQKP-JWQCQUIFSA-N 1 0 477.609 4.136 20 0 JIADRO CCOc1cc(Br)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OCC ZINC000849504679 1069084182 /nfs/dbraw/zinc/08/41/82/1069084182.db2.gz DMPHOECCUDKIBH-MSOLQXFVSA-N 1 0 493.446 4.433 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505328 1069085225 /nfs/dbraw/zinc/08/52/25/1069085225.db2.gz RSKOEPZZVDEURK-WOJBJXKFSA-N 1 0 455.603 4.368 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001300572870 1069085270 /nfs/dbraw/zinc/08/52/70/1069085270.db2.gz AHHOOQOUZILUMH-HHHXNRCGSA-N 1 0 497.709 4.405 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCSCc2cccc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849506077 1069086245 /nfs/dbraw/zinc/08/62/45/1069086245.db2.gz LBCRMGFXSITCRM-RPBOFIJWSA-N 1 0 450.652 4.437 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849505950 1069086291 /nfs/dbraw/zinc/08/62/91/1069086291.db2.gz KRHQLONKQASURM-IZZNHLLZSA-N 1 0 473.621 4.111 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849505574 1069087239 /nfs/dbraw/zinc/08/72/39/1069087239.db2.gz IGBUFYKRLIQZMO-PMACEKPBSA-N 1 0 460.504 4.077 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1F ZINC000849508270 1069089004 /nfs/dbraw/zinc/08/90/04/1069089004.db2.gz HWBJWOQGUOZZGK-UXHICEINSA-N 1 0 452.530 4.343 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C)nc1 ZINC001300573604 1069089411 /nfs/dbraw/zinc/08/94/11/1069089411.db2.gz IVCBVUBOMZLPEQ-UHFFFAOYSA-N 1 0 462.642 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849508030 1069089783 /nfs/dbraw/zinc/08/97/83/1069089783.db2.gz UUFJNFKVBHCVES-YADHBBJMSA-N 1 0 466.605 4.495 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001492575050 1069091310 /nfs/dbraw/zinc/09/13/10/1069091310.db2.gz GXMKPIKTWCKBIG-DEOSSOPVSA-N 1 0 494.728 4.188 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849510075 1069091898 /nfs/dbraw/zinc/09/18/98/1069091898.db2.gz OHKOTANYXDSNFP-WOJBJXKFSA-N 1 0 459.566 4.198 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511126 1069094472 /nfs/dbraw/zinc/09/44/72/1069094472.db2.gz NYRBPGSVZKRBSM-RTWAWAEBSA-N 1 0 472.420 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849510834 1069094676 /nfs/dbraw/zinc/09/46/76/1069094676.db2.gz VEXNSRQRQUMUQB-VABKMULXSA-N 1 0 473.459 4.230 20 0 JIADRO COCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000849512972 1069096889 /nfs/dbraw/zinc/09/68/89/1069096889.db2.gz OEYUYJSMPJODLH-NMNUPHIUSA-N 1 0 480.575 4.489 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513217 1069097236 /nfs/dbraw/zinc/09/72/36/1069097236.db2.gz QYDJTHUOBYWPFQ-BJKOFHAPSA-N 1 0 456.594 4.271 20 0 JIADRO CC(C)Oc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000849515006 1069099302 /nfs/dbraw/zinc/09/93/02/1069099302.db2.gz KHTOCGRIXYUKIV-NHCUHLMSSA-N 1 0 466.548 4.356 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300576691 1069102285 /nfs/dbraw/zinc/10/22/85/1069102285.db2.gz KJGRUTZAAVVIBY-HXUWFJFHSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849516598 1069103222 /nfs/dbraw/zinc/10/32/22/1069103222.db2.gz KUSYIKRKPNSURO-PMACEKPBSA-N 1 0 471.602 4.228 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517054 1069103421 /nfs/dbraw/zinc/10/34/21/1069103421.db2.gz MPXZRLFQNMFTIW-GSDHBNRESA-N 1 0 490.648 4.351 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517455 1069103513 /nfs/dbraw/zinc/10/35/13/1069103513.db2.gz NXLFGPXPLUQFNY-RPWUZVMVSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517403 1069103530 /nfs/dbraw/zinc/10/35/30/1069103530.db2.gz NKMONDQTDSWGLL-SFTDATJTSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516996 1069103552 /nfs/dbraw/zinc/10/35/52/1069103552.db2.gz RRWCNQOIHWWNMU-JWQCQUIFSA-N 1 0 474.609 4.194 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300578410 1069105767 /nfs/dbraw/zinc/10/57/67/1069105767.db2.gz GTZDGZOAMCHVJS-PXNSSMCTSA-N 1 0 457.669 4.184 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518638 1069109291 /nfs/dbraw/zinc/10/92/91/1069109291.db2.gz SHIXLMKMWBNOLV-JWQCQUIFSA-N 1 0 484.604 4.264 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300580195 1069113197 /nfs/dbraw/zinc/11/31/97/1069113197.db2.gz SGXUQFPTLCRUHA-UXHICEINSA-N 1 0 487.714 4.097 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849522067 1069114277 /nfs/dbraw/zinc/11/42/77/1069114277.db2.gz WXVJYLBXTYHYJS-JWQCQUIFSA-N 1 0 450.627 4.140 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521525 1069115734 /nfs/dbraw/zinc/11/57/34/1069115734.db2.gz FERBWRMNWBYQKZ-QHAWAJNXSA-N 1 0 452.628 4.266 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849522903 1069115892 /nfs/dbraw/zinc/11/58/92/1069115892.db2.gz QAOHSWPPEINELS-NHCUHLMSSA-N 1 0 465.623 4.115 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300583249 1069126232 /nfs/dbraw/zinc/12/62/32/1069126232.db2.gz UQBMRMLJPMXKLS-JOCHJYFZSA-N 1 0 499.059 4.038 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849526554 1069126921 /nfs/dbraw/zinc/12/69/21/1069126921.db2.gz GNPDUWUZGLZCDZ-ZEQRLZLVSA-N 1 0 481.641 4.166 20 0 JIADRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC001200640364 1069140685 /nfs/dbraw/zinc/14/06/85/1069140685.db2.gz QMNXONLNOURYHD-HNNXBMFYSA-N 1 0 458.153 4.470 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)s2)c1 ZINC000504226757 1069144672 /nfs/dbraw/zinc/14/46/72/1069144672.db2.gz CPDWMNWZQUHQSX-UHFFFAOYSA-N 1 0 457.625 4.233 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537868 1069160110 /nfs/dbraw/zinc/16/01/10/1069160110.db2.gz WEOWBVVANDPQGT-WXFUMESZSA-N 1 0 496.453 4.251 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537864 1069160206 /nfs/dbraw/zinc/16/02/06/1069160206.db2.gz WEOWBVVANDPQGT-TZRRMPRUSA-N 1 0 496.453 4.251 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543808 1069177902 /nfs/dbraw/zinc/17/79/02/1069177902.db2.gz VWMVGYOCQCPOEB-ZEQRLZLVSA-N 1 0 486.607 4.377 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300598384 1069180022 /nfs/dbraw/zinc/18/00/22/1069180022.db2.gz MCVATGFBKUBKEH-IBGZPJMESA-N 1 0 468.671 4.399 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546880 1069184969 /nfs/dbraw/zinc/18/49/69/1069184969.db2.gz DEESGZAAZABJJB-ROUUACIJSA-N 1 0 477.462 4.439 20 0 JIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849550074 1069189150 /nfs/dbraw/zinc/18/91/50/1069189150.db2.gz BKERQMMFZPPEGE-LEWJYISDSA-N 1 0 460.557 4.095 20 0 JIADRO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849551298 1069191054 /nfs/dbraw/zinc/19/10/54/1069191054.db2.gz AIYUXZBJJAVQHN-GOTSBHOMSA-N 1 0 472.593 4.220 20 0 JIADRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001200656470 1069191847 /nfs/dbraw/zinc/19/18/47/1069191847.db2.gz DSYRTNJZGFGMQC-UHFFFAOYSA-N 1 0 453.303 4.029 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554014 1069198608 /nfs/dbraw/zinc/19/86/08/1069198608.db2.gz LFHBPTNJBBMLMA-FCHUYYIVSA-N 1 0 473.459 4.236 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849555802 1069201908 /nfs/dbraw/zinc/20/19/08/1069201908.db2.gz TYCXSNIOGFHZFW-FCHUYYIVSA-N 1 0 462.560 4.491 20 0 JIADRO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)c1 ZINC001200661839 1069207328 /nfs/dbraw/zinc/20/73/28/1069207328.db2.gz AHKBYNZLFVOXJP-UQBPGWFLSA-N 1 0 472.605 4.307 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)Oc1cccc(C(F)(F)F)c1 ZINC000849560178 1069207456 /nfs/dbraw/zinc/20/74/56/1069207456.db2.gz YBEAEJQUNTXLDF-FCEUIQTBSA-N 1 0 466.548 4.227 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849559692 1069208585 /nfs/dbraw/zinc/20/85/85/1069208585.db2.gz VYEOZLLVFJGTEU-HZPDHXFCSA-N 1 0 481.822 4.076 20 0 JIADRO COc1ccc(-c2csc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849560219 1069208802 /nfs/dbraw/zinc/20/88/02/1069208802.db2.gz ZFBITYLFJFQTPZ-ZEQRLZLVSA-N 1 0 452.624 4.288 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564624 1069215015 /nfs/dbraw/zinc/21/50/15/1069215015.db2.gz VUZYQWAIBYCOGS-RJGXRXQPSA-N 1 0 485.401 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849565835 1069216284 /nfs/dbraw/zinc/21/62/84/1069216284.db2.gz WVLWGQBBCUWIOK-WPFOTENUSA-N 1 0 452.002 4.188 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849566883 1069218578 /nfs/dbraw/zinc/21/85/78/1069218578.db2.gz CJFHORLBMIHAPD-OALUTQOASA-N 1 0 465.461 4.249 20 0 JIADRO COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]4CC[N@H+](C)C[C@@H]4c4cnn(C)c4)cc32)c1 ZINC000849566871 1069218641 /nfs/dbraw/zinc/21/86/41/1069218641.db2.gz FBTOEQCAERLATG-JWQCQUIFSA-N 1 0 457.578 4.106 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849566885 1069219209 /nfs/dbraw/zinc/21/92/09/1069219209.db2.gz CJFHORLBMIHAPD-RTBURBONSA-N 1 0 465.461 4.249 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567545 1069219473 /nfs/dbraw/zinc/21/94/73/1069219473.db2.gz HKEMAAXSOQZZOA-RMDSEJHCSA-N 1 0 476.621 4.157 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568448 1069219707 /nfs/dbraw/zinc/21/97/07/1069219707.db2.gz OJRGLYDGBQHOLL-VXKWHMMOSA-N 1 0 468.646 4.252 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849569437 1069220545 /nfs/dbraw/zinc/22/05/45/1069220545.db2.gz UCWOZBWDHPHQTL-FGZHOGPDSA-N 1 0 472.058 4.370 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCC2 ZINC000849570151 1069221372 /nfs/dbraw/zinc/22/13/72/1069221372.db2.gz ZSNNXEXVDFHDHP-UXHICEINSA-N 1 0 459.432 4.284 20 0 JIADRO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571373 1069221654 /nfs/dbraw/zinc/22/16/54/1069221654.db2.gz IEXGVCSDSHZVOL-VWNXMTODSA-N 1 0 495.668 4.326 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572469 1069222628 /nfs/dbraw/zinc/22/26/28/1069222628.db2.gz MWFLOHVBPFSIAP-RBUKOAKNSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@H](c2cnn(C)c2)C1 ZINC000849571874 1069223683 /nfs/dbraw/zinc/22/36/83/1069223683.db2.gz LUJBFJRCHRKXFF-ROUUACIJSA-N 1 0 461.397 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCCc3c(Br)cccc32)[C@H](c2cnn(C)c2)C1 ZINC000849573707 1069225701 /nfs/dbraw/zinc/22/57/01/1069225701.db2.gz RVWWGAHLYOEWIG-ICSRJNTNSA-N 1 0 459.432 4.366 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576206 1069229167 /nfs/dbraw/zinc/22/91/67/1069229167.db2.gz HRRXOIWRNQRIPL-KZNAEPCWSA-N 1 0 473.337 4.028 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849576004 1069229366 /nfs/dbraw/zinc/22/93/66/1069229366.db2.gz BXGLHRQDGNDYOT-BHDDXSALSA-N 1 0 477.422 4.499 20 0 JIADRO CCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582500 1069233011 /nfs/dbraw/zinc/23/30/11/1069233011.db2.gz NLRKRVZHZGFBQN-SFTDATJTSA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849582031 1069233270 /nfs/dbraw/zinc/23/32/70/1069233270.db2.gz KDURYRVXCHZBGA-KGLIPLIRSA-N 1 0 480.407 4.384 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849583823 1069234497 /nfs/dbraw/zinc/23/44/97/1069234497.db2.gz VHUTZIBBTQRZME-PKTZIBPZSA-N 1 0 473.459 4.435 20 0 JIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587391 1069237814 /nfs/dbraw/zinc/23/78/14/1069237814.db2.gz IDRYXRKDBKYBJK-MOPGFXCFSA-N 1 0 484.398 4.352 20 0 JIADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587393 1069237917 /nfs/dbraw/zinc/23/79/17/1069237917.db2.gz IDRYXRKDBKYBJK-RBUKOAKNSA-N 1 0 484.398 4.352 20 0 JIADRO Cc1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000849588030 1069238410 /nfs/dbraw/zinc/23/84/10/1069238410.db2.gz ONPWPXMXNNQYIL-VXKWHMMOSA-N 1 0 485.426 4.348 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586760 1069238816 /nfs/dbraw/zinc/23/88/16/1069238816.db2.gz FWQFZECKMXQUGU-IZLXSDGUSA-N 1 0 486.660 4.411 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586763 1069238952 /nfs/dbraw/zinc/23/89/52/1069238952.db2.gz FWQFZECKMXQUGU-WUFINQPMSA-N 1 0 486.660 4.411 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849588673 1069240296 /nfs/dbraw/zinc/24/02/96/1069240296.db2.gz MXMWVPHHYYMNSO-RDJZCZTQSA-N 1 0 462.982 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849590388 1069241262 /nfs/dbraw/zinc/24/12/62/1069241262.db2.gz YHYKDWHGTSVXOH-UXHICEINSA-N 1 0 488.474 4.258 20 0 JIADRO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589756 1069241991 /nfs/dbraw/zinc/24/19/91/1069241991.db2.gz ZHWJHIIFKPUVDZ-RTWAWAEBSA-N 1 0 472.593 4.425 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590866 1069242662 /nfs/dbraw/zinc/24/26/62/1069242662.db2.gz ANBWYZHTCCPCNM-ZOCIIQOWSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590859 1069242840 /nfs/dbraw/zinc/24/28/40/1069242840.db2.gz ANBWYZHTCCPCNM-CCKFTAQKSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849591504 1069243607 /nfs/dbraw/zinc/24/36/07/1069243607.db2.gz JQFYJLIIYZCNCU-NHCUHLMSSA-N 1 0 458.031 4.327 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849594490 1069245677 /nfs/dbraw/zinc/24/56/77/1069245677.db2.gz UPWMVKRAQRDGGG-QZTJIDSGSA-N 1 0 464.035 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849594422 1069245726 /nfs/dbraw/zinc/24/57/26/1069245726.db2.gz TUXYVJCKRKEAJB-JRGCBEDISA-N 1 0 450.549 4.342 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594360 1069246442 /nfs/dbraw/zinc/24/64/42/1069246442.db2.gz XARMQVXUCDBPIJ-UXHICEINSA-N 1 0 497.993 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594131 1069246529 /nfs/dbraw/zinc/24/65/29/1069246529.db2.gz SZMGRTSUIYWSOH-QPPBQGQZSA-N 1 0 451.590 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849595543 1069246853 /nfs/dbraw/zinc/24/68/53/1069246853.db2.gz YHONFLZPJBWGDG-BJKOFHAPSA-N 1 0 495.668 4.238 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000849595330 1069247277 /nfs/dbraw/zinc/24/72/77/1069247277.db2.gz IUTDSCXFBANAFI-QTGUNEKASA-N 1 0 477.584 4.033 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849595548 1069247962 /nfs/dbraw/zinc/24/79/62/1069247962.db2.gz YHONFLZPJBWGDG-ZEQRLZLVSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849596311 1069248155 /nfs/dbraw/zinc/24/81/55/1069248155.db2.gz OAYUZXYZJCWDST-LUGPXAIHSA-N 1 0 478.559 4.241 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596091 1069249282 /nfs/dbraw/zinc/24/92/82/1069249282.db2.gz MVCHGNAMFBGFGT-IZZNHLLZSA-N 1 0 483.620 4.180 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595950 1069250090 /nfs/dbraw/zinc/25/00/90/1069250090.db2.gz MKAZILSXKIORSB-SDHOMARFSA-N 1 0 467.013 4.183 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300623102 1069250726 /nfs/dbraw/zinc/25/07/26/1069250726.db2.gz VYWQVEIDMWSBQL-OAQYLSRUSA-N 1 0 480.657 4.318 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cn1 ZINC000849597472 1069251664 /nfs/dbraw/zinc/25/16/64/1069251664.db2.gz SSOIGLKCBXFSTL-KSEOMHKRSA-N 1 0 497.640 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849598481 1069253298 /nfs/dbraw/zinc/25/32/98/1069253298.db2.gz ZYQJVRYRQJRECB-RTBURBONSA-N 1 0 467.839 4.009 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849599680 1069256734 /nfs/dbraw/zinc/25/67/34/1069256734.db2.gz BGCFYPLSYLPMSJ-RBUKOAKNSA-N 1 0 492.571 4.334 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849599679 1069256953 /nfs/dbraw/zinc/25/69/53/1069256953.db2.gz BGCFYPLSYLPMSJ-OALUTQOASA-N 1 0 492.571 4.334 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H](C)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001300625899 1069257936 /nfs/dbraw/zinc/25/79/36/1069257936.db2.gz FKVWRZNYKQROFR-IBGZPJMESA-N 1 0 485.654 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849601415 1069257843 /nfs/dbraw/zinc/25/78/43/1069257843.db2.gz VKGXWJQTGAEEPQ-BJKOFHAPSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@H](c2cnn(C)c2)C1 ZINC000849606262 1069262415 /nfs/dbraw/zinc/26/24/15/1069262415.db2.gz NMRGWTAGVLZWQZ-SJORKVTESA-N 1 0 489.443 4.154 20 0 JIADRO Cc1ccccc1-n1ncc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(F)F ZINC000849610174 1069267910 /nfs/dbraw/zinc/26/79/10/1069267910.db2.gz XWWAGXLTWQZKDI-RTBURBONSA-N 1 0 456.541 4.304 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849610759 1069272252 /nfs/dbraw/zinc/27/22/52/1069272252.db2.gz OACJSXUBKQXXSF-IEBWSBKVSA-N 1 0 459.566 4.198 20 0 JIADRO CSc1ccc(-c2nsc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849613261 1069274502 /nfs/dbraw/zinc/27/45/02/1069274502.db2.gz QTQFLPBNJGEELO-MOPGFXCFSA-N 1 0 456.641 4.113 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CC=CCC2)n1CC[NH+]1CCC(C)CC1 ZINC001300630746 1069277064 /nfs/dbraw/zinc/27/70/64/1069277064.db2.gz JQNSHJOAGPYYRH-JOCHJYFZSA-N 1 0 453.631 4.390 20 0 JIADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 ZINC001354513643 1069283657 /nfs/dbraw/zinc/28/36/57/1069283657.db2.gz DYOSLVHSFCNCDJ-WXFUMESZSA-N 1 0 453.558 4.031 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001492591621 1069304808 /nfs/dbraw/zinc/30/48/08/1069304808.db2.gz JIMJZOZPKHAOPO-SFHVURJKSA-N 1 0 471.447 4.475 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001300641744 1069309201 /nfs/dbraw/zinc/30/92/01/1069309201.db2.gz HRBKXXFUQVOROW-LVXARBLLSA-N 1 0 485.673 4.284 20 0 JIADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc1)C2 ZINC001164401549 718854535 /nfs/dbraw/zinc/85/45/35/718854535.db2.gz BNIKKJORTNNILZ-NYHFZMIOSA-N 1 0 476.980 4.063 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C=Cc4ccccc43)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164421472 718908982 /nfs/dbraw/zinc/90/89/82/718908982.db2.gz QXPOTFGGXBXEBI-NRFANRHFSA-N 1 0 474.649 4.445 20 0 JIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425273 718919179 /nfs/dbraw/zinc/91/91/79/718919179.db2.gz RCRIOCKNATZISC-QHCPKHFHSA-N 1 0 474.939 4.080 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164617518 719009226 /nfs/dbraw/zinc/00/92/26/719009226.db2.gz OKKYBVQVIAKQRD-YWZLYKJASA-N 1 0 459.990 4.151 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614409 719010707 /nfs/dbraw/zinc/01/07/07/719010707.db2.gz FGFKJUVTYAROMX-DCFHFQCYSA-N 1 0 497.709 4.053 20 0 JIADRO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)[C@H]3C2)cc1 ZINC001164632340 719098876 /nfs/dbraw/zinc/09/88/76/719098876.db2.gz ZHGWFZFBVDWIPK-GGAORHGYSA-N 1 0 489.689 4.113 20 0 JIADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164630621 719140071 /nfs/dbraw/zinc/14/00/71/719140071.db2.gz KAHADXDQVNUGGS-VWLOTQADSA-N 1 0 462.638 4.154 20 0 JIADRO Cc1nc2ccccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684359 719661519 /nfs/dbraw/zinc/66/15/19/719661519.db2.gz WZUNXZJNJGWKSE-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO Cc1cccc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681698 719662112 /nfs/dbraw/zinc/66/21/12/719662112.db2.gz QBSIEEKPYWFJBC-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4c(Cl)cccc4n3)CC2)c2ccccc21 ZINC001164681386 719664475 /nfs/dbraw/zinc/66/44/75/719664475.db2.gz NFJRIQDXRIRJPW-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4c(Cl)cccc4n3)CC2)c2ccccc21 ZINC001164681387 719665057 /nfs/dbraw/zinc/66/50/57/719665057.db2.gz NFJRIQDXRIRJPW-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO COc1ccc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc(C)c2c1 ZINC001164681829 719672610 /nfs/dbraw/zinc/67/26/10/719672610.db2.gz NRMMYIDBIXFONE-OAQYLSRUSA-N 1 0 487.648 4.040 20 0 JIADRO COc1ccc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2c1 ZINC001164681231 719674351 /nfs/dbraw/zinc/67/43/51/719674351.db2.gz KSOLICJHLPKTFK-QHCPKHFHSA-N 1 0 472.633 4.337 20 0 JIADRO COc1ccc2ccnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680502 719674397 /nfs/dbraw/zinc/67/43/97/719674397.db2.gz GQKPLQYWYAEWJF-QFIPXVFZSA-N 1 0 472.633 4.337 20 0 JIADRO COc1cccc(-c2ccnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n2)c1 ZINC001164686853 719674540 /nfs/dbraw/zinc/67/45/40/719674540.db2.gz XXKZAQUIFGQUSQ-QHCPKHFHSA-N 1 0 499.659 4.246 20 0 JIADRO CSc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164681922 719676565 /nfs/dbraw/zinc/67/65/65/719676565.db2.gz OKUGDMKCTVHCKP-FQEVSTJZSA-N 1 0 452.668 4.205 20 0 JIADRO COc1ccccc1-c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681909 719678436 /nfs/dbraw/zinc/67/84/36/719678436.db2.gz OFSQPBQSZVLLOT-JOCHJYFZSA-N 1 0 499.659 4.246 20 0 JIADRO CCCSc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680456 719679365 /nfs/dbraw/zinc/67/93/65/719679365.db2.gz FLLAHWSJUBIFGH-FQEVSTJZSA-N 1 0 467.683 4.072 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)CC2 ZINC001164684731 719731428 /nfs/dbraw/zinc/73/14/28/719731428.db2.gz JZJKHGZLPYFPTI-UHFFFAOYSA-N 1 0 456.015 4.193 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)CC2 ZINC001164689612 719750983 /nfs/dbraw/zinc/75/09/83/719750983.db2.gz JFIDBFKSEXAXPW-UHFFFAOYSA-N 1 0 457.578 4.117 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)CC2 ZINC001164690540 719757304 /nfs/dbraw/zinc/75/73/04/719757304.db2.gz DJUQHKUAAOPOMF-UHFFFAOYSA-N 1 0 478.971 4.136 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693651 719761295 /nfs/dbraw/zinc/76/12/95/719761295.db2.gz ZDXFRFCGYLXDII-BVZFJXPGSA-N 1 0 482.629 4.097 20 0 JIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC[C@H](C)C4)cn2)CC3)cs1 ZINC001164693422 719813153 /nfs/dbraw/zinc/81/31/53/719813153.db2.gz UWKAMRAGWHZNBO-IBGZPJMESA-N 1 0 453.656 4.354 20 0 JIADRO COc1cc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164695323 719890809 /nfs/dbraw/zinc/89/08/09/719890809.db2.gz NSTHMZAWRQCNEV-UHFFFAOYSA-N 1 0 475.014 4.233 20 0 JIADRO O=C(c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)N1CCc2ccccc21 ZINC001164698392 719897920 /nfs/dbraw/zinc/89/79/20/719897920.db2.gz SCWBDEKZZZFPCJ-UHFFFAOYSA-N 1 0 474.630 4.217 20 0 JIADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@H]2CCCO[C@H]12 ZINC001164710712 720062957 /nfs/dbraw/zinc/06/29/57/720062957.db2.gz GELUBIUJSBHRTN-IMSXRSKXSA-N 1 0 498.023 4.169 20 0 JIADRO COCc1nn(-c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)c2c1C[NH2+]C2 ZINC001164714977 720079563 /nfs/dbraw/zinc/07/95/63/720079563.db2.gz XSSNAHHWVWIMOZ-UHFFFAOYSA-N 1 0 460.607 4.280 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164714265 720108685 /nfs/dbraw/zinc/10/86/85/720108685.db2.gz BIYCINOOZVFTLE-FQEVSTJZSA-N 1 0 471.696 4.248 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164717413 720112060 /nfs/dbraw/zinc/11/20/60/720112060.db2.gz OPTIUCUXKRYMHK-QGZVFWFLSA-N 1 0 473.955 4.464 20 0 JIADRO CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713870 720130062 /nfs/dbraw/zinc/13/00/62/720130062.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 1 0 452.647 4.006 20 0 JIADRO CCCN(CCC)c1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713097 720130219 /nfs/dbraw/zinc/13/02/19/720130219.db2.gz QSRWPEOVNGLXDY-HSZRJFAPSA-N 1 0 452.647 4.006 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164710813 720134340 /nfs/dbraw/zinc/13/43/40/720134340.db2.gz DCINSGADWLNDLF-LJQANCHMSA-N 1 0 488.970 4.126 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815872 720139857 /nfs/dbraw/zinc/13/98/57/720139857.db2.gz WPQFIJBADIYDNI-XDHUDOTRSA-N 1 0 493.048 4.050 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164711706 720148478 /nfs/dbraw/zinc/14/84/78/720148478.db2.gz IAZHEBSSAPWFFC-JOCHJYFZSA-N 1 0 489.620 4.063 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818517 720170312 /nfs/dbraw/zinc/17/03/12/720170312.db2.gz SYYQMTWWNMCGRA-RLWLMLJZSA-N 1 0 471.715 4.335 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819784 720192268 /nfs/dbraw/zinc/19/22/68/720192268.db2.gz YEPQEHZZYBWGNL-KBXCAEBGSA-N 1 0 453.883 4.483 20 0 JIADRO Cn1nnc2c1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714992 720196028 /nfs/dbraw/zinc/19/60/28/720196028.db2.gz IKDOLAUMXHQNBB-AREMUKBSSA-N 1 0 468.605 4.247 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CCC2 ZINC001164816301 720242813 /nfs/dbraw/zinc/24/28/13/720242813.db2.gz HQMFCQAWLKWPHB-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(OCc4ccccc4)ccc31)CCC2 ZINC001164818006 720243607 /nfs/dbraw/zinc/24/36/07/720243607.db2.gz WCAQJOKDJRAYHK-UHFFFAOYSA-N 1 0 484.604 4.016 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164823922 720303339 /nfs/dbraw/zinc/30/33/39/720303339.db2.gz QRYNAHJTJJBUSW-MOPGFXCFSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164824490 720306950 /nfs/dbraw/zinc/30/69/50/720306950.db2.gz RDNFACRMIQTJSW-JWQCQUIFSA-N 1 0 491.586 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001164825793 720315696 /nfs/dbraw/zinc/31/56/96/720315696.db2.gz TYDLEIRZJPTVBV-DQEYMECFSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164828342 720337989 /nfs/dbraw/zinc/33/79/89/720337989.db2.gz OGXXEDOVDRJQKO-LOSJGSFVSA-N 1 0 491.586 4.487 20 0 JIADRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164828372 720350257 /nfs/dbraw/zinc/35/02/57/720350257.db2.gz ONEHYNJFLDDTTK-LOSJGSFVSA-N 1 0 482.072 4.249 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001164823522 720351966 /nfs/dbraw/zinc/35/19/66/720351966.db2.gz GSJOOEMHTCWHNK-KAYWLYCHSA-N 1 0 485.632 4.120 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164829247 720352286 /nfs/dbraw/zinc/35/22/86/720352286.db2.gz QYWXWAPHOQMZRH-VQTJNVASSA-N 1 0 490.435 4.487 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829639 720352486 /nfs/dbraw/zinc/35/24/86/720352486.db2.gz SZUMKCGVEOGTFJ-VQTJNVASSA-N 1 0 470.017 4.142 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164820449 720383917 /nfs/dbraw/zinc/38/39/17/720383917.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 1 0 496.725 4.097 20 0 JIADRO Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822203 720393790 /nfs/dbraw/zinc/39/37/90/720393790.db2.gz KOPKHGRTWLMYDJ-HBMCJLEFSA-N 1 0 497.011 4.375 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164839977 720503358 /nfs/dbraw/zinc/50/33/58/720503358.db2.gz UYVOBBLLLHZBTK-ZYQDXHPFSA-N 1 0 454.659 4.263 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)C1 ZINC001164726163 720518314 /nfs/dbraw/zinc/51/83/14/720518314.db2.gz BBAGXLNFQJZMDT-INIZCTEOSA-N 1 0 450.949 4.484 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840601 720520460 /nfs/dbraw/zinc/52/04/60/720520460.db2.gz WWHPQRQVNKVUCJ-KMDXXIMOSA-N 1 0 493.055 4.239 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC[C@@H]21 ZINC001164834862 720521269 /nfs/dbraw/zinc/52/12/69/720521269.db2.gz HRNSEMHLHDQNSQ-ZOBUZTSGSA-N 1 0 466.989 4.464 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835211 720524226 /nfs/dbraw/zinc/52/42/26/720524226.db2.gz JCNSFUHOJCKSQP-BHIFYINESA-N 1 0 491.043 4.102 20 0 JIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)C1 ZINC001164733793 720524289 /nfs/dbraw/zinc/52/42/89/720524289.db2.gz LNSOXBWUDWPKOW-OAHLLOKOSA-N 1 0 450.637 4.303 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)C1 ZINC001164733791 720524750 /nfs/dbraw/zinc/52/47/50/720524750.db2.gz LNSOXBWUDWPKOW-HNNXBMFYSA-N 1 0 450.637 4.303 20 0 JIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CC2 ZINC001164736098 720583250 /nfs/dbraw/zinc/58/32/50/720583250.db2.gz BVFNXBDQHNORCX-UHFFFAOYSA-N 1 0 471.634 4.097 20 0 JIADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835590 720593827 /nfs/dbraw/zinc/59/38/27/720593827.db2.gz BNJLTKFZCBTOKL-XQBPLPMBSA-N 1 0 483.016 4.034 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835967 720613878 /nfs/dbraw/zinc/61/38/78/720613878.db2.gz DFEVXMPURRJJKI-ABSDTBQOSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC001164839276 720638987 /nfs/dbraw/zinc/63/89/87/720638987.db2.gz NBXOPJNMQGNNOI-PMPSAXMXSA-N 1 0 460.356 4.387 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841850 720682018 /nfs/dbraw/zinc/68/20/18/720682018.db2.gz JMCLDYJLPYGNIF-FQEVSTJZSA-N 1 0 458.002 4.480 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1)OCC ZINC001164844823 720690695 /nfs/dbraw/zinc/69/06/95/720690695.db2.gz UZMXSCLYBPHGAX-OAQYLSRUSA-N 1 0 489.060 4.332 20 0 JIADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737631 720690876 /nfs/dbraw/zinc/69/08/76/720690876.db2.gz GSPDQQWVWLVSPL-UXHICEINSA-N 1 0 458.953 4.082 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164736879 720718475 /nfs/dbraw/zinc/71/84/75/720718475.db2.gz CADZPVSSENPBCJ-PZJWPPBQSA-N 1 0 488.979 4.091 20 0 JIADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845222 720744094 /nfs/dbraw/zinc/74/40/94/720744094.db2.gz XTFFMAAEXYUGTI-UHFFFAOYSA-N 1 0 481.938 4.186 20 0 JIADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744204 720757935 /nfs/dbraw/zinc/75/79/35/720757935.db2.gz RMOKTJAHDPAZRS-PMACEKPBSA-N 1 0 458.953 4.082 20 0 JIADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164738096 720760477 /nfs/dbraw/zinc/76/04/77/720760477.db2.gz DSYCFNBFQKPOMS-FGZHOGPDSA-N 1 0 452.562 4.046 20 0 JIADRO c1c(-c2ccccc2)c2c(ncnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164740399 720763383 /nfs/dbraw/zinc/76/33/83/720763383.db2.gz KTCTXLZEARTNQO-DNQXCXABSA-N 1 0 489.583 4.219 20 0 JIADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164737461 720781069 /nfs/dbraw/zinc/78/10/69/720781069.db2.gz BTODHSZFQGOKBE-WOJBJXKFSA-N 1 0 456.575 4.004 20 0 JIADRO c1sc2nc(C3CC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164738507 720784770 /nfs/dbraw/zinc/78/47/70/720784770.db2.gz FVYBXNCJJZSWBG-PMACEKPBSA-N 1 0 470.602 4.368 20 0 JIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740649 720824355 /nfs/dbraw/zinc/82/43/55/720824355.db2.gz KIBGIDGJUXVLHV-SYYKKAFVSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740647 720824438 /nfs/dbraw/zinc/82/44/38/720824438.db2.gz KIBGIDGJUXVLHV-KAGYGMCKSA-N 1 0 472.971 4.404 20 0 JIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747517 720840345 /nfs/dbraw/zinc/84/03/45/720840345.db2.gz RBFLOOAVSNRZBG-JBYIUTFZSA-N 1 0 472.971 4.404 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853835 720845284 /nfs/dbraw/zinc/84/52/84/720845284.db2.gz PSFZVPWJKJAIPM-JPYJTQIMSA-N 1 0 470.976 4.263 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742948 720847584 /nfs/dbraw/zinc/84/75/84/720847584.db2.gz HLCPHUCRKYLXCE-VIICAESSSA-N 1 0 483.595 4.407 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748042 720847846 /nfs/dbraw/zinc/84/78/46/720847846.db2.gz SHMJLKAFHIBDQI-UODIDJSMSA-N 1 0 496.663 4.067 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743879 720854665 /nfs/dbraw/zinc/85/46/65/720854665.db2.gz ARZGMJFUVSVLHP-GYGTVUFYSA-N 1 0 498.679 4.105 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164753592 720859169 /nfs/dbraw/zinc/85/91/69/720859169.db2.gz YLWJQWLAECOAMA-FUPPJEDESA-N 1 0 494.043 4.456 20 0 JIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753940 720871558 /nfs/dbraw/zinc/87/15/58/720871558.db2.gz QKQNPSCKXAOPGI-GCJKJVERSA-N 1 0 498.405 4.478 20 0 JIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747797 720871742 /nfs/dbraw/zinc/87/17/42/720871742.db2.gz BRIPXNCLNYNQHL-GCJKJVERSA-N 1 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Clc1ccc2c(cnnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750920 720892459 /nfs/dbraw/zinc/89/24/59/720892459.db2.gz CGSWORYYIFLNLA-BKMJKUGQSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@@H]2C1 ZINC001164860204 720892553 /nfs/dbraw/zinc/89/25/53/720892553.db2.gz UGNNCTGYXFIUOH-KNQAVFIVSA-N 1 0 465.972 4.429 20 0 JIADRO CSc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757197 720892673 /nfs/dbraw/zinc/89/26/73/720892673.db2.gz UHCRKCAIVAWIFP-WMZHIEFXSA-N 1 0 460.047 4.002 20 0 JIADRO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164749767 720893472 /nfs/dbraw/zinc/89/34/72/720893472.db2.gz APRSLRMEUUNYHT-GJZUVCINSA-N 1 0 464.013 4.433 20 0 JIADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164750850 720893981 /nfs/dbraw/zinc/89/39/81/720893981.db2.gz CBVXCTJLHVVWKV-DVECYGJZSA-N 1 0 485.057 4.198 20 0 JIADRO Clc1ccnc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164757805 720895351 /nfs/dbraw/zinc/89/53/51/720895351.db2.gz VQWXCCMHQIPGHW-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COc1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1OC ZINC001164757837 720896034 /nfs/dbraw/zinc/89/60/34/720896034.db2.gz VUEJIVALBAQHBB-PWUYWRBVSA-N 1 0 488.632 4.402 20 0 JIADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2occc21 ZINC001164758433 720898234 /nfs/dbraw/zinc/89/82/34/720898234.db2.gz YAMOAEPMTZQZDE-NTKDMRAZSA-N 1 0 453.974 4.026 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758141 720899198 /nfs/dbraw/zinc/89/91/98/720899198.db2.gz XCGYUJORMXZTCC-QFQXNSOFSA-N 1 0 496.059 4.211 20 0 JIADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752795 720907303 /nfs/dbraw/zinc/90/73/03/720907303.db2.gz OTEZVECSZRBXOB-RNAHPLFWSA-N 1 0 498.675 4.380 20 0 JIADRO Cc1csc2nc(C)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755176 720923900 /nfs/dbraw/zinc/92/39/00/720923900.db2.gz ZHQHDTSSTIKGCR-NVQXNPDNSA-N 1 0 463.651 4.458 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CCCCCC4)n2)C3)c1 ZINC001164753790 720926289 /nfs/dbraw/zinc/92/62/89/720926289.db2.gz SUZFWAWTLSTXSA-LSYYVWMOSA-N 1 0 476.669 4.007 20 0 JIADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164748034 720938951 /nfs/dbraw/zinc/93/89/51/720938951.db2.gz FGCOTOFFSVFWOK-PIKZIKFNSA-N 1 0 486.595 4.400 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164762307 721098889 /nfs/dbraw/zinc/09/88/89/721098889.db2.gz DXNFLYHTWCWXBR-RBUKOAKNSA-N 1 0 460.532 4.267 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164877585 721141357 /nfs/dbraw/zinc/14/13/57/721141357.db2.gz OUYRIUATHQMYCW-LEWJYISDSA-N 1 0 473.527 4.450 20 0 JIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773263 721153186 /nfs/dbraw/zinc/15/31/86/721153186.db2.gz XPBLABBCWQIXFY-NHCUHLMSSA-N 1 0 456.569 4.436 20 0 JIADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1Cl ZINC001164876375 721178787 /nfs/dbraw/zinc/17/87/87/721178787.db2.gz LYWFBXDOHRHPLV-ROUUACIJSA-N 1 0 474.367 4.464 20 0 JIADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876395 721183986 /nfs/dbraw/zinc/18/39/86/721183986.db2.gz MDBVPSXEJAIXDQ-ZWKOTPCHSA-N 1 0 472.376 4.450 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164867147 721189082 /nfs/dbraw/zinc/18/90/82/721189082.db2.gz DZDZWMIKGKEJFO-UNMCSNQZSA-N 1 0 465.985 4.359 20 0 JIADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164868487 721192818 /nfs/dbraw/zinc/19/28/18/721192818.db2.gz NCGODPSSRPNVBH-MSOLQXFVSA-N 1 0 489.929 4.356 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866802 721195243 /nfs/dbraw/zinc/19/52/43/721195243.db2.gz DFCWLVBQXFEENI-RTBURBONSA-N 1 0 460.912 4.415 20 0 JIADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867035 721196241 /nfs/dbraw/zinc/19/62/41/721196241.db2.gz DQPFFOLRBOXKBO-RTBURBONSA-N 1 0 462.972 4.424 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001164759740 721238871 /nfs/dbraw/zinc/23/88/71/721238871.db2.gz BFICLCGBBGXGCH-IAGOWNOFSA-N 1 0 459.381 4.268 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164759776 721246596 /nfs/dbraw/zinc/24/65/96/721246596.db2.gz BQZVATRJFIWLCR-QZTJIDSGSA-N 1 0 476.934 4.173 20 0 JIADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)CC2)C1 ZINC001164879188 721294286 /nfs/dbraw/zinc/29/42/86/721294286.db2.gz WLZKSJHKSKVZCA-UHFFFAOYSA-N 1 0 499.046 4.335 20 0 JIADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164770745 721299132 /nfs/dbraw/zinc/29/91/32/721299132.db2.gz VGLVAZRULMUOCN-UHFFFAOYSA-N 1 0 462.619 4.299 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892850 721398276 /nfs/dbraw/zinc/39/82/76/721398276.db2.gz TZWMXTBLKYQNLM-QPPBQGQZSA-N 1 0 492.014 4.107 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCCCC3 ZINC001164891596 721435768 /nfs/dbraw/zinc/43/57/68/721435768.db2.gz HHHHFICLXLOFGH-FQRUVTKNSA-N 1 0 469.699 4.034 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)s1 ZINC001164894426 721439758 /nfs/dbraw/zinc/43/97/58/721439758.db2.gz MNLUUEBDMIFVMA-KDYSTLNUSA-N 1 0 477.678 4.432 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164896508 721442081 /nfs/dbraw/zinc/44/20/81/721442081.db2.gz RKXBDFBZCQUZSC-LVXARBLLSA-N 1 0 470.061 4.179 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889857 721450200 /nfs/dbraw/zinc/45/02/00/721450200.db2.gz PNXOTGDZLSSPQJ-YKSBVNFPSA-N 1 0 492.451 4.341 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164785224 721450751 /nfs/dbraw/zinc/45/07/51/721450751.db2.gz HKVGROWPSVVVIK-INIZCTEOSA-N 1 0 479.399 4.062 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164786657 721458936 /nfs/dbraw/zinc/45/89/36/721458936.db2.gz PAHCMJDYKYQILR-KRWDZBQOSA-N 1 0 461.956 4.153 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164788700 721460535 /nfs/dbraw/zinc/46/05/35/721460535.db2.gz VQOQEFMPVVHMSD-LJQANCHMSA-N 1 0 475.033 4.026 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890341 721462143 /nfs/dbraw/zinc/46/21/43/721462143.db2.gz RAFFTKIRJNEUOC-DHLKQENFSA-N 1 0 453.656 4.413 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(-c3ccccc3F)cc1C)CC2 ZINC001164789595 721471671 /nfs/dbraw/zinc/47/16/71/721471671.db2.gz ONGCUQYQDILUBR-JOCHJYFZSA-N 1 0 468.617 4.325 20 0 JIADRO CN1Cc2ccccc2CC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164895113 721471801 /nfs/dbraw/zinc/47/18/01/721471801.db2.gz RBOWKCUKBDKRGP-UHFFFAOYSA-N 1 0 466.629 4.441 20 0 JIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164791659 721473974 /nfs/dbraw/zinc/47/39/74/721473974.db2.gz XIYLPMOVASPQDO-CTNGQTDRSA-N 1 0 455.647 4.205 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)CC3)CC1 ZINC001164794187 721512706 /nfs/dbraw/zinc/51/27/06/721512706.db2.gz KAUQVTRVYOWOQN-UHFFFAOYSA-N 1 0 481.378 4.051 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164900303 721523477 /nfs/dbraw/zinc/52/34/77/721523477.db2.gz PYDFQUVJIQEOHC-TZIWHRDSSA-N 1 0 478.959 4.009 20 0 JIADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001164905826 721538934 /nfs/dbraw/zinc/53/89/34/721538934.db2.gz IPNKAZUHQMBCBP-GGAORHGYSA-N 1 0 461.516 4.100 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909886 721566475 /nfs/dbraw/zinc/56/64/75/721566475.db2.gz VBILYIBXBXNJQO-PKOBYXMFSA-N 1 0 470.932 4.412 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909881 721566612 /nfs/dbraw/zinc/56/66/12/721566612.db2.gz VBILYIBXBXNJQO-MJGOQNOKSA-N 1 0 470.932 4.412 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164801454 721570761 /nfs/dbraw/zinc/57/07/61/721570761.db2.gz GSHFQGRBLZGKIP-GTNKKZTPSA-N 1 0 486.616 4.447 20 0 JIADRO COCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccccc2)n1 ZINC001164906192 721586186 /nfs/dbraw/zinc/58/61/86/721586186.db2.gz LZEYTXORSUXKMS-VWLOTQADSA-N 1 0 465.548 4.423 20 0 JIADRO FC1(F)CCN(c2nnc(Cl)cc2-c2ccncc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903669 721586896 /nfs/dbraw/zinc/58/68/96/721586896.db2.gz BGFZWYMDKMBMQI-QFIPXVFZSA-N 1 0 456.928 4.325 20 0 JIADRO COc1cc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164905550 721697817 /nfs/dbraw/zinc/69/78/17/721697817.db2.gz JVMPSJLPKZWAAB-HSZRJFAPSA-N 1 0 489.954 4.433 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907333 721710859 /nfs/dbraw/zinc/71/08/59/721710859.db2.gz QZAOCTHQSUTQDY-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905515 721719041 /nfs/dbraw/zinc/71/90/41/721719041.db2.gz HANSSWZTPUCHHX-HXUWFJFHSA-N 1 0 480.897 4.356 20 0 JIADRO FC1(F)CCN(c2nc(Cl)nc3c(Cl)nccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908559 721721506 /nfs/dbraw/zinc/72/15/06/721721506.db2.gz XZDJXZNLNQFLSX-HXUWFJFHSA-N 1 0 465.335 4.464 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001165011449 721745170 /nfs/dbraw/zinc/74/51/70/721745170.db2.gz XOJCFCAGTBSFCC-UHFFFAOYSA-N 1 0 465.548 4.098 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@H]21 ZINC001165026893 721805053 /nfs/dbraw/zinc/80/50/53/721805053.db2.gz SCJXRCDHBQKTPT-UEVCKROQSA-N 1 0 468.045 4.493 20 0 JIADRO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164918612 721809471 /nfs/dbraw/zinc/80/94/71/721809471.db2.gz RWFOHIGYDWUEOW-CAKYRVLISA-N 1 0 476.646 4.297 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@H]21 ZINC001165026210 721811538 /nfs/dbraw/zinc/81/15/38/721811538.db2.gz PNSLRNHIUPPEFR-CWJKEVGVSA-N 1 0 482.032 4.311 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164916258 721811797 /nfs/dbraw/zinc/81/17/97/721811797.db2.gz GFPJQIFGCZPAHU-NBHGPNQESA-N 1 0 497.011 4.314 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020798 721812875 /nfs/dbraw/zinc/81/28/75/721812875.db2.gz DCJSKYHBONVAMM-RBDMOPTHSA-N 1 0 465.985 4.202 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]21 ZINC001165030153 721825124 /nfs/dbraw/zinc/82/51/24/721825124.db2.gz YBLZAVSDRYUXNZ-WNOPAQSVSA-N 1 0 468.045 4.493 20 0 JIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025700 721828446 /nfs/dbraw/zinc/82/84/46/721828446.db2.gz NNGFPICYFYTEHP-OEMFJLHTSA-N 1 0 456.594 4.169 20 0 JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c(OC)c1OC ZINC001165018860 721828483 /nfs/dbraw/zinc/82/84/83/721828483.db2.gz AMGPKPVPRLXHTL-APTRMMRNSA-N 1 0 489.620 4.301 20 0 JIADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165026748 721832325 /nfs/dbraw/zinc/83/23/25/721832325.db2.gz PZAXOZNFQFCDEN-FFZOFVMBSA-N 1 0 499.027 4.205 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)Nc3ccccc3)ccn2)CC1 ZINC001165021988 721841144 /nfs/dbraw/zinc/84/11/44/721841144.db2.gz LJGRFZORIZJFTC-UHFFFAOYSA-N 1 0 460.578 4.452 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165022008 721841525 /nfs/dbraw/zinc/84/15/25/721841525.db2.gz MCOIUWYSFZOUFA-UHFFFAOYSA-N 1 0 475.033 4.335 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)CC1 ZINC001165021258 721843283 /nfs/dbraw/zinc/84/32/83/721843283.db2.gz JSSMLGZYPGSUDO-FQEVSTJZSA-N 1 0 466.626 4.072 20 0 JIADRO c1sc2nc(CN3CCOCC3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1-c1ccccc1 ZINC000497549766 721860028 /nfs/dbraw/zinc/86/00/28/721860028.db2.gz DYIJWMJGCRPVMC-UHFFFAOYSA-N 1 0 463.651 4.255 20 0 JIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164927057 721867183 /nfs/dbraw/zinc/86/71/83/721867183.db2.gz UMSVYGWUQBJHLQ-HZPDHXFCSA-N 1 0 464.775 4.350 20 0 JIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccc(Cl)cc2)C1 ZINC001165040489 721893186 /nfs/dbraw/zinc/89/31/86/721893186.db2.gz XJROTMPFUUKJBB-HNNXBMFYSA-N 1 0 459.324 4.216 20 0 JIADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165046634 721974291 /nfs/dbraw/zinc/97/42/91/721974291.db2.gz BSXFKZRAHLRCMF-VAMGGRTRSA-N 1 0 476.616 4.071 20 0 JIADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952812 722014665 /nfs/dbraw/zinc/01/46/65/722014665.db2.gz CDCKNOQBKLKVPL-UHFFFAOYSA-N 1 0 462.976 4.163 20 0 JIADRO Fc1cccc(Oc2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164955666 722019160 /nfs/dbraw/zinc/01/91/60/722019160.db2.gz MNVHZRXQXNHZEA-UHFFFAOYSA-N 1 0 454.937 4.344 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955227 722019726 /nfs/dbraw/zinc/01/97/26/722019726.db2.gz ASLXHHSTHYBYSY-UHFFFAOYSA-N 1 0 481.641 4.245 20 0 JIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959522 722052236 /nfs/dbraw/zinc/05/22/36/722052236.db2.gz LWPANYUDAKAYRM-UHFFFAOYSA-N 1 0 457.352 4.447 20 0 JIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958077 722053055 /nfs/dbraw/zinc/05/30/55/722053055.db2.gz BNMQDZBGUCRSKB-UHFFFAOYSA-N 1 0 457.352 4.447 20 0 JIADRO Clc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963784 722055710 /nfs/dbraw/zinc/05/57/10/722055710.db2.gz KTKWWAXTPBEVRT-UHFFFAOYSA-N 1 0 458.393 4.451 20 0 JIADRO Clc1ncc(OCc2ccccc2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963811 722056959 /nfs/dbraw/zinc/05/69/59/722056959.db2.gz MEEXDNKLFDJWER-UHFFFAOYSA-N 1 0 480.012 4.223 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1 ZINC001164965736 722067057 /nfs/dbraw/zinc/06/70/57/722067057.db2.gz KWMNDNHDKHQLFD-OAQYLSRUSA-N 1 0 455.672 4.466 20 0 JIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164977204 722098662 /nfs/dbraw/zinc/09/86/62/722098662.db2.gz DZUVBBOZODPSGF-YPAWHYETSA-N 1 0 487.982 4.203 20 0 JIADRO c1ccc(-c2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc3ccccc32)cc1 ZINC001164982557 722114210 /nfs/dbraw/zinc/11/42/10/722114210.db2.gz XEFILISJBJVRDC-OZXSUGGESA-N 1 0 451.574 4.419 20 0 JIADRO c1ccc(-c2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc3ccccc32)cc1 ZINC001164982555 722114902 /nfs/dbraw/zinc/11/49/02/722114902.db2.gz XEFILISJBJVRDC-JYFHCDHNSA-N 1 0 451.574 4.419 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985428 722139109 /nfs/dbraw/zinc/13/91/09/722139109.db2.gz ZKTSGDRWUBHMJW-DENIHFKCSA-N 1 0 480.996 4.187 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164982119 722139443 /nfs/dbraw/zinc/13/94/43/722139443.db2.gz RDVNQZCMWKLGCE-QPPBQGQZSA-N 1 0 487.629 4.489 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978881 722141761 /nfs/dbraw/zinc/14/17/61/722141761.db2.gz KGDBQFWXTBTHQV-UIOOFZCWSA-N 1 0 482.632 4.219 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cs1 ZINC001164975078 722142983 /nfs/dbraw/zinc/14/29/83/722142983.db2.gz DUJKHPQLFLEAJV-GBXCKJPGSA-N 1 0 457.603 4.481 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981129 722148108 /nfs/dbraw/zinc/14/81/08/722148108.db2.gz OOUZXAFDGLAHIB-PBXXJUDPSA-N 1 0 483.975 4.047 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982618 722150204 /nfs/dbraw/zinc/15/02/04/722150204.db2.gz RSTBGQASVWOSIY-OFNKIYASSA-N 1 0 485.966 4.464 20 0 JIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975372 722154437 /nfs/dbraw/zinc/15/44/37/722154437.db2.gz SOXJSIRATIUPPV-GCJKJVERSA-N 1 0 469.948 4.184 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974790 722156211 /nfs/dbraw/zinc/15/62/11/722156211.db2.gz QLSBSHMLTKCEHT-AUSIDOKSSA-N 1 0 481.984 4.053 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164993993 722194503 /nfs/dbraw/zinc/19/45/03/722194503.db2.gz KKHKQORNLFDEQQ-MUUNZHRXSA-N 1 0 457.597 4.419 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2ncn4Cc2ccccc2F)C3)c1 ZINC001164995935 722203692 /nfs/dbraw/zinc/20/36/92/722203692.db2.gz QBGLOQGGAHCINP-AREMUKBSSA-N 1 0 460.532 4.398 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccc(N5CCOCC5)cc4)nn2)C3)c1 ZINC001164999070 722211383 /nfs/dbraw/zinc/21/13/83/722211383.db2.gz ZISGVVQFPSPYCP-MUUNZHRXSA-N 1 0 473.596 4.364 20 0 JIADRO C[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009768 722273905 /nfs/dbraw/zinc/27/39/05/722273905.db2.gz QZBNINKNHUCURZ-MBBMMDPKSA-N 1 0 497.643 4.438 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)OC ZINC001300645745 1069318928 /nfs/dbraw/zinc/31/89/28/1069318928.db2.gz BRCYMEXXSVZTHF-JOCHJYFZSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)OC ZINC001300645746 1069319060 /nfs/dbraw/zinc/31/90/60/1069319060.db2.gz BRCYMEXXSVZTHF-QFIPXVFZSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)c2)cc1 ZINC001200704516 1069331918 /nfs/dbraw/zinc/33/19/18/1069331918.db2.gz TZMCDRCMXCEHSQ-KDYSTLNUSA-N 1 0 459.590 4.327 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001492593655 1069334957 /nfs/dbraw/zinc/33/49/57/1069334957.db2.gz VEKINZHIEQNPMV-SZPZYZBQSA-N 1 0 468.646 4.089 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H]2CSC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300651377 1069335135 /nfs/dbraw/zinc/33/51/35/1069335135.db2.gz YBYIYYGGWXEUGL-NHCUHLMSSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H]2CSC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300651376 1069335396 /nfs/dbraw/zinc/33/53/96/1069335396.db2.gz YBYIYYGGWXEUGL-LEWJYISDSA-N 1 0 473.687 4.318 20 0 JIADRO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(I)cc1Cl ZINC001354608006 1069391002 /nfs/dbraw/zinc/39/10/02/1069391002.db2.gz YTRUTWXBOYILTG-MRXNPFEDSA-N 1 0 458.727 4.413 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001300670701 1069403242 /nfs/dbraw/zinc/40/32/42/1069403242.db2.gz VOWMDOUGGKECHL-YLJYHZDGSA-N 1 0 499.603 4.221 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001354614874 1069405479 /nfs/dbraw/zinc/40/54/79/1069405479.db2.gz QDIKKQHVGVQGBP-UHFFFAOYSA-N 1 0 451.958 4.200 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300671993 1069408353 /nfs/dbraw/zinc/40/83/53/1069408353.db2.gz FLYGSIYDHKVQKF-XLNZFTOWSA-N 1 0 475.728 4.499 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCSC1 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4.382 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[C@H]1C ZINC001300794575 1069846240 /nfs/dbraw/zinc/84/62/40/1069846240.db2.gz KYIKQGHWXZTHRD-MBOZVWFJSA-N 1 0 479.467 4.017 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC2CC2)CC1 ZINC001359546451 1069850353 /nfs/dbraw/zinc/85/03/53/1069850353.db2.gz FSIBIAWTGDJOSW-UHFFFAOYSA-N 1 0 480.701 4.327 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CC1 ZINC001359546511 1069850390 /nfs/dbraw/zinc/85/03/90/1069850390.db2.gz HRPSUMOUQUNRFC-UHFFFAOYSA-N 1 0 485.032 4.066 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCOCC2)CC1 ZINC001359546739 1069851260 /nfs/dbraw/zinc/85/12/60/1069851260.db2.gz OMMPTRFJWGZZQJ-UHFFFAOYSA-N 1 0 479.467 4.021 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359546682 1069851318 /nfs/dbraw/zinc/85/13/18/1069851318.db2.gz MTSZWEBMUFOBRQ-HXUWFJFHSA-N 1 0 478.607 4.388 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001359547693 1069853849 /nfs/dbraw/zinc/85/38/49/1069853849.db2.gz YXRVOTVWJXKRLP-UHFFFAOYSA-N 1 0 492.716 4.406 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CCOc2cccc(Cl)c2)CC1 ZINC001359547983 1069854450 /nfs/dbraw/zinc/85/44/50/1069854450.db2.gz KHBACISIRDHWCM-UHFFFAOYSA-N 1 0 455.006 4.383 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(Br)cc2)CC1 ZINC001359548242 1069854648 /nfs/dbraw/zinc/85/46/48/1069854648.db2.gz SSJDXIMFHGOODW-IBGZPJMESA-N 1 0 476.463 4.098 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001359548671 1069855570 /nfs/dbraw/zinc/85/55/70/1069855570.db2.gz LNSHPHRSDOIAED-UHFFFAOYSA-N 1 0 487.574 4.231 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CCSC(F)(F)F)CC1 ZINC001359548645 1069855673 /nfs/dbraw/zinc/85/56/73/1069855673.db2.gz KOUNRNCHNRTPAL-UHFFFAOYSA-N 1 0 481.592 4.080 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001359548900 1069856553 /nfs/dbraw/zinc/85/65/53/1069856553.db2.gz VDLYAIHIUBESMM-SFHVURJKSA-N 1 0 479.467 4.306 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@H]2CCCCO2)CC1 ZINC001359548899 1069856579 /nfs/dbraw/zinc/85/65/79/1069856579.db2.gz VDLYAIHIUBESMM-GOSISDBHSA-N 1 0 479.467 4.306 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001359548893 1069856587 /nfs/dbraw/zinc/85/65/87/1069856587.db2.gz UVXRHMSIYVGCJT-UHFFFAOYSA-N 1 0 473.547 4.095 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nccn2C(F)F)CC1 ZINC001359549401 1069857487 /nfs/dbraw/zinc/85/74/87/1069857487.db2.gz OCZAFTBUNJLVBC-UHFFFAOYSA-N 1 0 467.927 4.298 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC001359549314 1069857520 /nfs/dbraw/zinc/85/75/20/1069857520.db2.gz KILOVJWYIOJSOY-UHFFFAOYSA-N 1 0 488.558 4.388 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCSCC(F)(F)F)CC1 ZINC001359550301 1069858505 /nfs/dbraw/zinc/85/85/05/1069858505.db2.gz XPRBJGBZQVGVGQ-UHFFFAOYSA-N 1 0 459.557 4.224 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[NH+]2CCCC2)CC1 ZINC001359554962 1069867289 /nfs/dbraw/zinc/86/72/89/1069867289.db2.gz CNCPTFOOVTZUMB-HXUWFJFHSA-N 1 0 496.647 4.360 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359556685 1069872728 /nfs/dbraw/zinc/87/27/28/1069872728.db2.gz UVOGHGYFCJRFME-UXHICEINSA-N 1 0 494.631 4.136 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1CC(F)(F)C1 ZINC001359559525 1069881194 /nfs/dbraw/zinc/88/11/94/1069881194.db2.gz SHEPOGCWWJEZOI-SFHVURJKSA-N 1 0 482.620 4.316 20 0 JIADRO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001359563321 1069890211 /nfs/dbraw/zinc/89/02/11/1069890211.db2.gz JUTATNWDGXGBLP-FQEVSTJZSA-N 1 0 460.667 4.086 20 0 JIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359566873 1069904405 /nfs/dbraw/zinc/90/44/05/1069904405.db2.gz CAQZSRSFMCBVRI-LJQANCHMSA-N 1 0 489.064 4.435 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)C1 ZINC001359575665 1069969253 /nfs/dbraw/zinc/96/92/53/1069969253.db2.gz RHRUPQUDXHBMSS-OAQYLSRUSA-N 1 0 460.667 4.305 20 0 JIADRO CC(C)(C)O[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001359580021 1070000305 /nfs/dbraw/zinc/00/03/05/1070000305.db2.gz YSDLKUCIDZNATK-YADHBBJMSA-N 1 0 476.065 4.229 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001359580476 1070001988 /nfs/dbraw/zinc/00/19/88/1070001988.db2.gz GUOFTDKZOVEVQR-HSZRJFAPSA-N 1 0 454.663 4.314 20 0 JIADRO CC(C)(C)OCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359586002 1070016598 /nfs/dbraw/zinc/01/65/98/1070016598.db2.gz WGBGNCMLSUPYNF-UHFFFAOYSA-N 1 0 494.105 4.340 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001359596787 1070048757 /nfs/dbraw/zinc/04/87/57/1070048757.db2.gz UMFNMDCEKMUMLX-LJQANCHMSA-N 1 0 487.517 4.179 20 0 JIADRO CC(C)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001359598183 1070054429 /nfs/dbraw/zinc/05/44/29/1070054429.db2.gz RDKMTLUXNDOQIJ-GOSISDBHSA-N 1 0 491.105 4.190 20 0 JIADRO CC(C)(Cn1c(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001359598821 1070056077 /nfs/dbraw/zinc/05/60/77/1070056077.db2.gz OEUDUUWIEKJWNP-BGYRXZFFSA-N 1 0 474.694 4.001 20 0 JIADRO CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359609541 1070072382 /nfs/dbraw/zinc/07/23/82/1070072382.db2.gz ICDVUIBLSRCDGS-PMVMPFDFSA-N 1 0 450.631 4.075 20 0 JIADRO CC(C)=CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359613473 1070079106 /nfs/dbraw/zinc/07/91/06/1070079106.db2.gz XNXZWBFCRHIORX-BGYRXZFFSA-N 1 0 460.667 4.326 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)C)n2CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001359613592 1070079717 /nfs/dbraw/zinc/07/97/17/1070079717.db2.gz BNKQEFRWJZTRPI-UHFFFAOYSA-N 1 0 466.674 4.008 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001359614174 1070081070 /nfs/dbraw/zinc/08/10/70/1070081070.db2.gz UYWSKYGNCLDTSW-QHCPKHFHSA-N 1 0 466.674 4.107 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001359615448 1070083146 /nfs/dbraw/zinc/08/31/46/1070083146.db2.gz NYHSGHFRRCKSFB-JOCHJYFZSA-N 1 0 468.690 4.082 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359619553 1070090120 /nfs/dbraw/zinc/09/01/20/1070090120.db2.gz ZSKJJHFQHPDJMR-HSZRJFAPSA-N 1 0 468.690 4.205 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359619778 1070091451 /nfs/dbraw/zinc/09/14/51/1070091451.db2.gz DTWUCXZXEOMMKT-QFIPXVFZSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001359622704 1070099284 /nfs/dbraw/zinc/09/92/84/1070099284.db2.gz HMQPKRXBJLHMSU-ZJSXRUAMSA-N 1 0 494.709 4.192 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001492595920 1070103562 /nfs/dbraw/zinc/10/35/62/1070103562.db2.gz CPDZQZPKHLCWPV-UHFFFAOYSA-N 1 0 452.672 4.296 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359628912 1070136625 /nfs/dbraw/zinc/13/66/25/1070136625.db2.gz LRNQTCTXKYRJOU-DHIUTWEWSA-N 1 0 498.691 4.261 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359629394 1070140141 /nfs/dbraw/zinc/14/01/41/1070140141.db2.gz UUYSYRVKLPDZID-PMACEKPBSA-N 1 0 474.719 4.220 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629151 1070138752 /nfs/dbraw/zinc/13/87/52/1070138752.db2.gz QDJIORJORCPFKW-GOTSBHOMSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359629450 1070141251 /nfs/dbraw/zinc/14/12/51/1070141251.db2.gz VPYVYGHARJPABZ-ILBGXUMGSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359629451 1070141510 /nfs/dbraw/zinc/14/15/10/1070141510.db2.gz VPYVYGHARJPABZ-NOZRDPDXSA-N 1 0 498.691 4.117 20 0 JIADRO CC(C)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001359646028 1070192024 /nfs/dbraw/zinc/19/20/24/1070192024.db2.gz HWWBFWPTUQGATA-QHCPKHFHSA-N 1 0 467.683 4.468 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001359655547 1070227608 /nfs/dbraw/zinc/22/76/08/1070227608.db2.gz YGBSINDMTLAJIE-IRLDBZIGSA-N 1 0 484.689 4.383 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359655646 1070228670 /nfs/dbraw/zinc/22/86/70/1070228670.db2.gz ZZSSJJVDSORICT-DEOSSOPVSA-N 1 0 464.054 4.228 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001359656040 1070231618 /nfs/dbraw/zinc/23/16/18/1070231618.db2.gz ISVPAKMRCJTQIG-PXDATVDWSA-N 1 0 496.700 4.007 20 0 JIADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCCCC1)[NH+]1CCCC1 ZINC001359657438 1070244877 /nfs/dbraw/zinc/24/48/77/1070244877.db2.gz HXLLGOMIUMYEMH-NRFANRHFSA-N 1 0 453.635 4.062 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359657934 1070250601 /nfs/dbraw/zinc/25/06/01/1070250601.db2.gz QMIUVFDVDDVYGY-NRFANRHFSA-N 1 0 498.691 4.260 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359658319 1070254521 /nfs/dbraw/zinc/25/45/21/1070254521.db2.gz ZQAAROQQOFLCKX-IRLDBZIGSA-N 1 0 474.738 4.364 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001359658532 1070256762 /nfs/dbraw/zinc/25/67/62/1070256762.db2.gz DDGYTCQFXRBCFM-FQEVSTJZSA-N 1 0 476.463 4.443 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)[NH+]1CCCC1 ZINC001359662361 1070282442 /nfs/dbraw/zinc/28/24/42/1070282442.db2.gz YINFAYFMOXEEFE-HXUWFJFHSA-N 1 0 451.619 4.197 20 0 JIADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359663156 1070287378 /nfs/dbraw/zinc/28/73/78/1070287378.db2.gz LNRFXNRSUPUUAM-RTWAWAEBSA-N 1 0 476.710 4.433 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359664824 1070293197 /nfs/dbraw/zinc/29/31/97/1070293197.db2.gz MUVTXPLMUNUMAG-IBGZPJMESA-N 1 0 483.604 4.399 20 0 JIADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359665461 1070296526 /nfs/dbraw/zinc/29/65/26/1070296526.db2.gz AIRZSCBGXXCYRZ-SFHVURJKSA-N 1 0 496.603 4.089 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666159 1070300539 /nfs/dbraw/zinc/30/05/39/1070300539.db2.gz OHQLCHBULHMDEP-LADGPHEKSA-N 1 0 480.701 4.342 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001359666289 1070301253 /nfs/dbraw/zinc/30/12/53/1070301253.db2.gz QSRBFOWGCAETOE-ZVDOUQERSA-N 1 0 461.651 4.447 20 0 JIADRO CC(C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001359666273 1070301293 /nfs/dbraw/zinc/30/12/93/1070301293.db2.gz QLOVNFOLNOJDGC-SFTDATJTSA-N 1 0 460.667 4.459 20 0 JIADRO CC(C)c1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)C2)no1 ZINC001359670779 1070313896 /nfs/dbraw/zinc/31/38/96/1070313896.db2.gz BGDPPSNGAGZJCN-UUOWRZLLSA-N 1 0 475.707 4.194 20 0 JIADRO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C[NH+](C)C)c3)CC2)n1 ZINC001359669105 1070309020 /nfs/dbraw/zinc/30/90/20/1070309020.db2.gz BHODRIZJKYSKPU-UHFFFAOYSA-N 1 0 490.700 4.217 20 0 JIADRO CC(C)c1nc(CCn2c(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)cs1 ZINC001359673163 1070321878 /nfs/dbraw/zinc/32/18/78/1070321878.db2.gz RERGWOFZVNIWPQ-SFHVURJKSA-N 1 0 460.692 4.088 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC001359674828 1070326520 /nfs/dbraw/zinc/32/65/20/1070326520.db2.gz XIAYSXLGJSYLIK-IFMALSPDSA-N 1 0 455.651 4.334 20 0 JIADRO CC(C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359690088 1070346232 /nfs/dbraw/zinc/34/62/32/1070346232.db2.gz YEFVOPKDWCPXBM-RCCFBDPRSA-N 1 0 462.664 4.115 20 0 JIADRO CC(C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359690087 1070346742 /nfs/dbraw/zinc/34/67/42/1070346742.db2.gz YEFVOPKDWCPXBM-OKZBNKHCSA-N 1 0 462.664 4.115 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359692789 1070352604 /nfs/dbraw/zinc/35/26/04/1070352604.db2.gz YGTGTASTIAGGEX-NJYVYQBISA-N 1 0 462.683 4.406 20 0 JIADRO CC(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001359697134 1070356894 /nfs/dbraw/zinc/35/68/94/1070356894.db2.gz JMTFMYXXWDVOOO-UHFFFAOYSA-N 1 0 487.714 4.140 20 0 JIADRO CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001359697185 1070357200 /nfs/dbraw/zinc/35/72/00/1070357200.db2.gz KTXKQJFEHBGVCP-UHFFFAOYSA-N 1 0 450.672 4.263 20 0 JIADRO CC(C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359701285 1070366183 /nfs/dbraw/zinc/36/61/83/1070366183.db2.gz OJPKONPBLIZIEI-FCHUYYIVSA-N 1 0 461.676 4.320 20 0 JIADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359701882 1070368185 /nfs/dbraw/zinc/36/81/85/1070368185.db2.gz IMJDMRNJAGLNNH-UHFFFAOYSA-N 1 0 460.692 4.285 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359704179 1070370001 /nfs/dbraw/zinc/37/00/01/1070370001.db2.gz CBVLYDBPRBTRKK-LJQANCHMSA-N 1 0 488.080 4.427 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359707051 1070374085 /nfs/dbraw/zinc/37/40/85/1070374085.db2.gz LTYSOTLBEDPHRU-IBGZPJMESA-N 1 0 494.610 4.415 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001359707304 1070374478 /nfs/dbraw/zinc/37/44/78/1070374478.db2.gz QLHBYXYEQHFRRJ-OALUTQOASA-N 1 0 478.483 4.152 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359707837 1070375801 /nfs/dbraw/zinc/37/58/01/1070375801.db2.gz BSNGXANJLNIULR-RTWAWAEBSA-N 1 0 474.625 4.337 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359707885 1070375928 /nfs/dbraw/zinc/37/59/28/1070375928.db2.gz CUBFIULRSBFVPM-HSZRJFAPSA-N 1 0 468.690 4.421 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359711342 1070379326 /nfs/dbraw/zinc/37/93/26/1070379326.db2.gz BXRHLKMMUPQUHA-QFIPXVFZSA-N 1 0 458.695 4.141 20 0 JIADRO COc1ccc(CCn2c(C(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC001315461404 1064276052 /nfs/dbraw/zinc/27/60/52/1064276052.db2.gz KGSNWAAEENJERL-SJLPKXTDSA-N 1 0 462.436 4.088 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1F ZINC001315475876 1064324916 /nfs/dbraw/zinc/32/49/16/1064324916.db2.gz OYNGLDXDSIXAFB-FQEVSTJZSA-N 1 0 459.610 4.221 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1O ZINC001315476258 1064327643 /nfs/dbraw/zinc/32/76/43/1064327643.db2.gz VMTAKYCGNKVPLT-FQEVSTJZSA-N 1 0 453.587 4.318 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC001315476881 1064328905 /nfs/dbraw/zinc/32/89/05/1064328905.db2.gz JCCGGLVBOWURSX-URXFXBBRSA-N 1 0 471.646 4.238 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC001315478680 1064334174 /nfs/dbraw/zinc/33/41/74/1064334174.db2.gz XHZVDUQVDCXSHQ-GBXCKJPGSA-N 1 0 471.646 4.382 20 0 JIADRO COc1ccc(COCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001315508735 1064433466 /nfs/dbraw/zinc/43/34/66/1064433466.db2.gz HRBYTDQWKKJTKT-UHFFFAOYSA-N 1 0 485.032 4.139 20 0 JIADRO COc1ccc(COCCn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001315508992 1064434215 /nfs/dbraw/zinc/43/42/15/1064434215.db2.gz PJAQCPQXHSZCIU-OAQYLSRUSA-N 1 0 455.647 4.293 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315511136 1064445376 /nfs/dbraw/zinc/44/53/76/1064445376.db2.gz JBASVZJCSKQFHW-LJQANCHMSA-N 1 0 485.032 4.139 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001315528047 1064506446 /nfs/dbraw/zinc/50/64/46/1064506446.db2.gz DZCKACWCGOYJBU-BBTUJRGHSA-N 1 0 471.627 4.092 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001315531133 1064515523 /nfs/dbraw/zinc/51/55/23/1064515523.db2.gz SDEKSYMTJGGEMG-YADHBBJMSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccc(C)o3)n2CC[N@H+](C)C(C)C)cc1 ZINC001315531420 1064516188 /nfs/dbraw/zinc/51/61/88/1064516188.db2.gz YNAZNYBAUOGPFZ-JOCHJYFZSA-N 1 0 453.587 4.449 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315536713 1064528686 /nfs/dbraw/zinc/52/86/86/1064528686.db2.gz XTKZHDPAXUBMHB-NJDAHSKKSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001315540973 1064537921 /nfs/dbraw/zinc/53/79/21/1064537921.db2.gz NRGWVTCQGIHLBW-JIPXPUAJSA-N 1 0 478.641 4.374 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(C)O)CC2)c1 ZINC001315545324 1064550379 /nfs/dbraw/zinc/55/03/79/1064550379.db2.gz NIFLBXFSGOCNPC-SFHVURJKSA-N 1 0 485.032 4.046 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[NH+](C)C)c1 ZINC001315546123 1064552491 /nfs/dbraw/zinc/55/24/91/1064552491.db2.gz FWNPDQLAEBFSIH-XXBNENTESA-N 1 0 498.672 4.303 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCCCC2)[NH+]2CCCC2)c1 ZINC001315545924 1064552784 /nfs/dbraw/zinc/55/27/84/1064552784.db2.gz QDOPXCNAQTYVLF-XMMPIXPASA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)[NH+](C)C)c1 ZINC001315546967 1064555399 /nfs/dbraw/zinc/55/53/99/1064555399.db2.gz LAPKXLBORKMXBT-FQEVSTJZSA-N 1 0 472.037 4.271 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@H](C4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548480 1064560228 /nfs/dbraw/zinc/56/02/28/1064560228.db2.gz JNEFCEBHOYYSSE-GMAHTHKFSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315549369 1064563625 /nfs/dbraw/zinc/56/36/25/1064563625.db2.gz NHUCXNXIUFSEFS-OYRHEFFESA-N 1 0 465.646 4.082 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C)C2)[NH+](C)C)c1 ZINC001315549528 1064564435 /nfs/dbraw/zinc/56/44/35/1064564435.db2.gz RSNINVWOLGOHPI-JBJBFBLISA-N 1 0 487.714 4.450 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315549885 1064565475 /nfs/dbraw/zinc/56/54/75/1064565475.db2.gz SSYRRBNFYPBKJE-DEOSSOPVSA-N 1 0 496.700 4.017 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315552176 1064569077 /nfs/dbraw/zinc/56/90/77/1064569077.db2.gz OYEZFCRRLQHHJG-NHCUHLMSSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001315555145 1064574066 /nfs/dbraw/zinc/57/40/66/1064574066.db2.gz FKXTYGWEXZRTKQ-IBGZPJMESA-N 1 0 468.652 4.454 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315557276 1064577089 /nfs/dbraw/zinc/57/70/89/1064577089.db2.gz QHDHTZGZRUDEIY-SFTDATJTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315559603 1064584109 /nfs/dbraw/zinc/58/41/09/1064584109.db2.gz CTAKQBWAJBERSB-UPVQGACJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001315561569 1064587501 /nfs/dbraw/zinc/58/75/01/1064587501.db2.gz XXUKMQHPPWUEAP-NRFANRHFSA-N 1 0 484.689 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCc2nnc(C)s2)c1 ZINC001315562283 1064588858 /nfs/dbraw/zinc/58/88/58/1064588858.db2.gz GCLBVQDEHCFOPZ-UHFFFAOYSA-N 1 0 469.659 4.057 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H]3CSC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001315562629 1064589638 /nfs/dbraw/zinc/58/96/38/1064589638.db2.gz KBWATPCAETUZFA-ZVDOUQERSA-N 1 0 473.687 4.173 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315563182 1064590699 /nfs/dbraw/zinc/59/06/99/1064590699.db2.gz LVYPEPOPGCMLOG-XZOQPEGZSA-N 1 0 496.700 4.015 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(OC)CCCC2)c1 ZINC001315564667 1064595159 /nfs/dbraw/zinc/59/51/59/1064595159.db2.gz VGVFWVCRWAYMTC-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCNc2ccccn2)c1 ZINC001315568114 1064602426 /nfs/dbraw/zinc/60/24/26/1064602426.db2.gz XJDZVLOEKUOFHR-UHFFFAOYSA-N 1 0 477.657 4.409 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315569893 1064609707 /nfs/dbraw/zinc/60/97/07/1064609707.db2.gz FKIKPXOSRRSDBP-XAXKJMDRSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001315570196 1064611123 /nfs/dbraw/zinc/61/11/23/1064611123.db2.gz HLZRPSZGRWCSIJ-DNQXCXABSA-N 1 0 496.700 4.160 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001315570197 1064611227 /nfs/dbraw/zinc/61/12/27/1064611227.db2.gz HLZRPSZGRWCSIJ-RPWUZVMVSA-N 1 0 496.700 4.160 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001315570593 1064612289 /nfs/dbraw/zinc/61/22/89/1064612289.db2.gz MRLMWNSXTWPIBB-FJIJXJHWSA-N 1 0 455.647 4.235 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)CCO2)c1 ZINC001315571311 1064615915 /nfs/dbraw/zinc/61/59/15/1064615915.db2.gz SOCNOJYWLFCUJQ-QHCPKHFHSA-N 1 0 485.673 4.052 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001315571233 1064615960 /nfs/dbraw/zinc/61/59/60/1064615960.db2.gz BSPKYUSWRXHMLT-QHCPKHFHSA-N 1 0 467.658 4.452 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)c1 ZINC001315578514 1064639795 /nfs/dbraw/zinc/63/97/95/1064639795.db2.gz WPDLOBNKJBMELJ-SZPZYZBQSA-N 1 0 498.672 4.180 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001315579668 1064642904 /nfs/dbraw/zinc/64/29/04/1064642904.db2.gz XQRMISDOWWVYKV-JOCHJYFZSA-N 1 0 462.623 4.273 20 0 JIADRO COc1cccc2c1CCN(c1nnc(Cc3ccccn3)n1CCC[NH+](C(C)C)C(C)C)C2 ZINC001315588820 1064673337 /nfs/dbraw/zinc/67/33/37/1064673337.db2.gz HPCMGINBNGJPND-UHFFFAOYSA-N 1 0 462.642 4.344 20 0 JIADRO COc1cccc2c1CCN(c1nnc(-c3ccc(Br)s3)n1C[C@@H](C)[NH+](C)C)C2 ZINC001315589614 1064674980 /nfs/dbraw/zinc/67/49/80/1064674980.db2.gz VVOPMUUUYGMSEQ-CQSZACIVSA-N 1 0 476.444 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315592217 1064683355 /nfs/dbraw/zinc/68/33/55/1064683355.db2.gz VNENYAPWMFMOLL-DEOSSOPVSA-N 1 0 479.673 4.451 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cccs2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315593022 1064686579 /nfs/dbraw/zinc/68/65/79/1064686579.db2.gz YODXFVIESCRACX-IBGZPJMESA-N 1 0 455.628 4.153 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315593121 1064686612 /nfs/dbraw/zinc/68/66/12/1064686612.db2.gz BMMULQBLVFPUBL-FQEVSTJZSA-N 1 0 471.646 4.054 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315593331 1064687302 /nfs/dbraw/zinc/68/73/02/1064687302.db2.gz BVWJPKWFKWZXDC-QZTJIDSGSA-N 1 0 472.037 4.097 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315593265 1064687414 /nfs/dbraw/zinc/68/74/14/1064687414.db2.gz ANOGLAGKECFLDU-FPOVZHCZSA-N 1 0 455.628 4.323 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315594980 1064693433 /nfs/dbraw/zinc/69/34/33/1064693433.db2.gz WXKCKMMAAKXDQF-HXUWFJFHSA-N 1 0 455.628 4.181 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315598269 1064702162 /nfs/dbraw/zinc/70/21/62/1064702162.db2.gz JOSVSULCTDCMCL-DEOSSOPVSA-N 1 0 496.700 4.157 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315598270 1064702196 /nfs/dbraw/zinc/70/21/96/1064702196.db2.gz JOSVSULCTDCMCL-XMMPIXPASA-N 1 0 496.700 4.157 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315600387 1064707617 /nfs/dbraw/zinc/70/76/17/1064707617.db2.gz XQFNCAXXSRXDEJ-UUOWRZLLSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315600386 1064707751 /nfs/dbraw/zinc/70/77/51/1064707751.db2.gz XQFNCAXXSRXDEJ-MHECFPHRSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001315601384 1064710055 /nfs/dbraw/zinc/71/00/55/1064710055.db2.gz WNJFUZQADBICBM-QGZVFWFLSA-N 1 0 452.603 4.329 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](OCC(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315602000 1064711754 /nfs/dbraw/zinc/71/17/54/1064711754.db2.gz QYVGCIIOBNCEGZ-YADHBBJMSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001315602476 1064712401 /nfs/dbraw/zinc/71/24/01/1064712401.db2.gz YTWMZGRGOIUCJY-UFYCRDLUSA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCCNC(=O)C(C)C ZINC001315603540 1064714933 /nfs/dbraw/zinc/71/49/33/1064714933.db2.gz HCHCYKFBNGGXRV-GOTSBHOMSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001315603960 1064716279 /nfs/dbraw/zinc/71/62/79/1064716279.db2.gz KTSMAOTWTWRCNF-HXUWFJFHSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315606696 1064723575 /nfs/dbraw/zinc/72/35/75/1064723575.db2.gz AJIGXQNYGNGFOJ-QHAWAJNXSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001315606902 1064723840 /nfs/dbraw/zinc/72/38/40/1064723840.db2.gz KZQIOCBLFFXDOD-SANMLTNESA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001315606901 1064723987 /nfs/dbraw/zinc/72/39/87/1064723987.db2.gz KZQIOCBLFFXDOD-AREMUKBSSA-N 1 0 455.647 4.063 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315614652 1064739698 /nfs/dbraw/zinc/73/96/98/1064739698.db2.gz YMFWHHUAKMXFGC-NHCUHLMSSA-N 1 0 465.646 4.019 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1CC1([NH+](C)C)CCCC1 ZINC001315614755 1064740169 /nfs/dbraw/zinc/74/01/69/1064740169.db2.gz HUIWLZNPLJQQGV-LJQANCHMSA-N 1 0 468.671 4.448 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCSC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001315616703 1064744496 /nfs/dbraw/zinc/74/44/96/1064744496.db2.gz UGLHGBBDABHHBN-JOCHJYFZSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315616841 1064745190 /nfs/dbraw/zinc/74/51/90/1064745190.db2.gz VFXLTBNCUWDKRR-FYYLOGMGSA-N 1 0 469.674 4.128 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C2CCCCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315617179 1064746304 /nfs/dbraw/zinc/74/63/04/1064746304.db2.gz WJVHOTLKTHUBCE-OYRHEFFESA-N 1 0 455.647 4.146 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315622386 1064758667 /nfs/dbraw/zinc/75/86/67/1064758667.db2.gz YYXOWCBDBSIJTP-MLNNCEHLSA-N 1 0 469.674 4.390 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315623120 1064760910 /nfs/dbraw/zinc/76/09/10/1064760910.db2.gz UVWUEZGTIMFRRV-NLFFAJNJSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1(C)CCOCC1 ZINC001315623166 1064760953 /nfs/dbraw/zinc/76/09/53/1064760953.db2.gz WENHQIINPFYILW-UHFFFAOYSA-N 1 0 469.674 4.251 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315623628 1064761886 /nfs/dbraw/zinc/76/18/86/1064761886.db2.gz AIONCJAXKXLOST-SQJMNOBHSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(C)C ZINC001315624204 1064763528 /nfs/dbraw/zinc/76/35/28/1064763528.db2.gz FOFAWJJGEISWIC-QFIPXVFZSA-N 1 0 469.674 4.108 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315625824 1064768561 /nfs/dbraw/zinc/76/85/61/1064768561.db2.gz XOUKYUFKDUNUIO-VXKWHMMOSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315625987 1064769354 /nfs/dbraw/zinc/76/93/54/1064769354.db2.gz OYWVDHSMVKRRCW-GPXNEJASSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](OC)C(C)C ZINC001315627287 1064772623 /nfs/dbraw/zinc/77/26/23/1064772623.db2.gz KGFQXWXGJAXVJL-JYFHCDHNSA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001315631295 1064781723 /nfs/dbraw/zinc/78/17/23/1064781723.db2.gz MVPFTTGIGWLGLM-RTWAWAEBSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315631653 1064783338 /nfs/dbraw/zinc/78/33/38/1064783338.db2.gz MOONPVUPVWMWSL-XUZZJYLKSA-N 1 0 467.614 4.025 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001315633079 1064786870 /nfs/dbraw/zinc/78/68/70/1064786870.db2.gz QRWLTAXWWRXXEC-UHFFFAOYSA-N 1 0 453.656 4.383 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315633550 1064788408 /nfs/dbraw/zinc/78/84/08/1064788408.db2.gz MYYRMHSDNWWESQ-XMMPIXPASA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cc2ccsc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315634780 1064790566 /nfs/dbraw/zinc/79/05/66/1064790566.db2.gz YJPQCHXPTGOGRE-UHFFFAOYSA-N 1 0 485.723 4.445 20 0 JIADRO COc1ccccc1N1CC[C@H](Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)C1 ZINC001315642218 1064806307 /nfs/dbraw/zinc/80/63/07/1064806307.db2.gz APYHEAHBENTQSQ-NRFANRHFSA-N 1 0 468.690 4.421 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(CC2CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315646762 1064819306 /nfs/dbraw/zinc/81/93/06/1064819306.db2.gz JKXKSKOHYXSMHG-HXUWFJFHSA-N 1 0 455.647 4.265 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315648445 1064824323 /nfs/dbraw/zinc/82/43/23/1064824323.db2.gz SGTPMNTZKWMVCI-LJQANCHMSA-N 1 0 453.587 4.135 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315652026 1064834182 /nfs/dbraw/zinc/83/41/82/1064834182.db2.gz JXMVIKACLCCBFR-RBUKOAKNSA-N 1 0 485.654 4.234 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001315657962 1064850505 /nfs/dbraw/zinc/85/05/05/1064850505.db2.gz FUVPBJXZWCZDJH-KZNAEPCWSA-N 1 0 493.530 4.396 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H](C)c2ccco2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315660287 1064856822 /nfs/dbraw/zinc/85/68/22/1064856822.db2.gz DCZAIMXXCPJZPF-FQEVSTJZSA-N 1 0 498.697 4.395 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+](C)C1CCCC1 ZINC001315660461 1064857926 /nfs/dbraw/zinc/85/79/26/1064857926.db2.gz IEZHYOVJBXSLDN-LJQANCHMSA-N 1 0 461.701 4.395 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(OC)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315662802 1064867225 /nfs/dbraw/zinc/86/72/25/1064867225.db2.gz SVCLLTLYKJWNNI-FQEVSTJZSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001315662901 1064868001 /nfs/dbraw/zinc/86/80/01/1064868001.db2.gz BBGOGKGWTGIOHW-FQEVSTJZSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H]2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315662985 1064868031 /nfs/dbraw/zinc/86/80/31/1064868031.db2.gz DTKROBMVELUCEY-PCCBWWKXSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@](C)(O)C(C)C ZINC001315663733 1064871539 /nfs/dbraw/zinc/87/15/39/1064871539.db2.gz KEBQKUQHOVKWJQ-RLWLMLJZSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001315663833 1064872229 /nfs/dbraw/zinc/87/22/29/1064872229.db2.gz DWQSHVOKTXXLCH-FNZWTVRRSA-N 1 0 487.714 4.441 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001315665980 1064880725 /nfs/dbraw/zinc/88/07/25/1064880725.db2.gz VEBNZUPWVODVMQ-HDICACEKSA-N 1 0 461.701 4.394 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1ccn(C)n1 ZINC001315666250 1064881280 /nfs/dbraw/zinc/88/12/80/1064881280.db2.gz NAKQVWREVVAWEE-UHFFFAOYSA-N 1 0 497.713 4.113 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001315667820 1064888994 /nfs/dbraw/zinc/88/89/94/1064888994.db2.gz JBPCKGSSCPMYPC-YLJYHZDGSA-N 1 0 499.603 4.078 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315669651 1064897446 /nfs/dbraw/zinc/89/74/46/1064897446.db2.gz WNJYMSNFVCFHSR-VQTJNVASSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@@H](C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315669650 1064897585 /nfs/dbraw/zinc/89/75/85/1064897585.db2.gz WNJYMSNFVCFHSR-UXHICEINSA-N 1 0 459.660 4.069 20 0 JIADRO COC1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001315682943 1064930190 /nfs/dbraw/zinc/93/01/90/1064930190.db2.gz GNWOAGWYZSHZOB-UHFFFAOYSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315686004 1064936814 /nfs/dbraw/zinc/93/68/14/1064936814.db2.gz SEVCIBVIWYEVPV-LAUBAEHRSA-N 1 0 450.002 4.331 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001315688230 1064940582 /nfs/dbraw/zinc/94/05/82/1064940582.db2.gz BKXQWYYIXNWKFO-ZRCGQRJVSA-N 1 0 459.610 4.294 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001315703678 1064969051 /nfs/dbraw/zinc/96/90/51/1064969051.db2.gz DUBRIMZOFYZTEH-UHFFFAOYSA-N 1 0 494.606 4.322 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CC(C)C)CC1 ZINC001315704991 1064972944 /nfs/dbraw/zinc/97/29/44/1064972944.db2.gz MMYZYKOGOXNYLY-UHFFFAOYSA-N 1 0 452.647 4.332 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001315706230 1064977193 /nfs/dbraw/zinc/97/71/93/1064977193.db2.gz SSIVCDIXXVVDMT-IBGZPJMESA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC001315706550 1064978139 /nfs/dbraw/zinc/97/81/39/1064978139.db2.gz SHLLFJDLFCSUBW-UHFFFAOYSA-N 1 0 483.701 4.113 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCCCC2)CC1 ZINC001315706721 1064978678 /nfs/dbraw/zinc/97/86/78/1064978678.db2.gz WTOMSOZLDHXDGY-UHFFFAOYSA-N 1 0 455.647 4.435 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001315706696 1064978838 /nfs/dbraw/zinc/97/88/38/1064978838.db2.gz VYFHRSDSJONWTN-QFIPXVFZSA-N 1 0 485.721 4.434 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001315707512 1064981540 /nfs/dbraw/zinc/98/15/40/1064981540.db2.gz ZVMYEQNBPRFYDD-GOSISDBHSA-N 1 0 476.065 4.492 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N3CCOC(C)(C)[C@@H]3C)CCCC2)CC1 ZINC001315708134 1064982722 /nfs/dbraw/zinc/98/27/22/1064982722.db2.gz CTIZRQMOKAVNII-FQEVSTJZSA-N 1 0 461.695 4.294 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N3CCOC(C)(C)[C@H]3C)CCCC2)CC1 ZINC001315708135 1064983449 /nfs/dbraw/zinc/98/34/49/1064983449.db2.gz CTIZRQMOKAVNII-HXUWFJFHSA-N 1 0 461.695 4.294 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC[C@@H]1C ZINC001315711957 1064991732 /nfs/dbraw/zinc/99/17/32/1064991732.db2.gz HNJIMDBTPIUSRI-ZOCIIQOWSA-N 1 0 493.475 4.261 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001315712672 1064994722 /nfs/dbraw/zinc/99/47/22/1064994722.db2.gz LNVPCJYFUXGNKT-FXAWDEMLSA-N 1 0 493.494 4.265 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001315713485 1064999221 /nfs/dbraw/zinc/99/92/21/1064999221.db2.gz MMVUMDKWRTWZIN-CNNODRBYSA-N 1 0 462.038 4.419 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1C ZINC001315715943 1065005217 /nfs/dbraw/zinc/00/52/17/1065005217.db2.gz MIGJABDJPWLYSL-VOQZNFBZSA-N 1 0 496.483 4.470 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315716777 1065007427 /nfs/dbraw/zinc/00/74/27/1065007427.db2.gz UTXANZGRRAPUIP-FYYLOGMGSA-N 1 0 453.631 4.158 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315720980 1065016608 /nfs/dbraw/zinc/01/66/08/1065016608.db2.gz XNPMRPPCRDKLCE-LJQANCHMSA-N 1 0 494.865 4.484 20 0 JIADRO CO[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1(C)C ZINC001315723582 1065019948 /nfs/dbraw/zinc/01/99/48/1065019948.db2.gz GEEIQYIIYYDRQS-JOCHJYFZSA-N 1 0 457.663 4.107 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[C@@H]1C ZINC001315729010 1065025755 /nfs/dbraw/zinc/02/57/55/1065025755.db2.gz CLHNUBAKSYQXBG-QPTUXGOLSA-N 1 0 453.675 4.435 20 0 JIADRO CO[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315729099 1065026181 /nfs/dbraw/zinc/02/61/81/1065026181.db2.gz CXGGYIDXVDKTDW-VXKWHMMOSA-N 1 0 469.655 4.125 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001315729220 1065026307 /nfs/dbraw/zinc/02/63/07/1065026307.db2.gz DCTBPPIBLPPFCN-NNMXDRDESA-N 1 0 460.692 4.007 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[C@H]1C ZINC001315730272 1065027316 /nfs/dbraw/zinc/02/73/16/1065027316.db2.gz SMPACBMUUWRLFA-ZFGGDYGUSA-N 1 0 462.642 4.255 20 0 JIADRO CO[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001315730674 1065028270 /nfs/dbraw/zinc/02/82/70/1065028270.db2.gz VAFMBZCHOJWQGL-OFVILXPXSA-N 1 0 462.642 4.014 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315737628 1065041653 /nfs/dbraw/zinc/04/16/53/1065041653.db2.gz VEGQANNOFSVWKC-ISKFKSNPSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001315744404 1065054869 /nfs/dbraw/zinc/05/48/69/1065054869.db2.gz WCBHVSLOBTWXEU-GRSYGWAWSA-N 1 0 487.714 4.239 20 0 JIADRO COCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315762976 1065077798 /nfs/dbraw/zinc/07/77/98/1065077798.db2.gz WEXGZMYYYFOFIQ-UHFFFAOYSA-N 1 0 481.483 4.265 20 0 JIADRO COCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001315766307 1065084834 /nfs/dbraw/zinc/08/48/34/1065084834.db2.gz ANYZREBDCQXJPP-UHFFFAOYSA-N 1 0 482.698 4.407 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001315770781 1065090731 /nfs/dbraw/zinc/09/07/31/1065090731.db2.gz HKOVFIGPRUIIOI-FQEVSTJZSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315772791 1065096141 /nfs/dbraw/zinc/09/61/41/1065096141.db2.gz CWBPOPYHYSVOOI-OAQYLSRUSA-N 1 0 485.673 4.478 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315789134 1065128477 /nfs/dbraw/zinc/12/84/77/1065128477.db2.gz OBDBKEZGZSYZOG-PMACEKPBSA-N 1 0 468.671 4.017 20 0 JIADRO COC[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001315791699 1065133161 /nfs/dbraw/zinc/13/31/61/1065133161.db2.gz DQYOQVZHRQIVSS-NKKJXINNSA-N 1 0 499.700 4.082 20 0 JIADRO COC[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001315795720 1065142129 /nfs/dbraw/zinc/14/21/29/1065142129.db2.gz ZTNCQKNPDYAXQQ-QFIPXVFZSA-N 1 0 455.647 4.150 20 0 JIADRO COC[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001315795955 1065142165 /nfs/dbraw/zinc/14/21/65/1065142165.db2.gz VBSVZLQAXSOBKI-HXUWFJFHSA-N 1 0 487.645 4.395 20 0 JIADRO COC[C@H](F)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001315813115 1065164202 /nfs/dbraw/zinc/16/42/02/1065164202.db2.gz YJGXRVZWRYJVBN-TZIWHRDSSA-N 1 0 477.600 4.244 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001315827460 1065184765 /nfs/dbraw/zinc/18/47/65/1065184765.db2.gz DJEMIEDXLIGJIN-SFHVURJKSA-N 1 0 493.494 4.411 20 0 JIADRO COCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001315844047 1065230479 /nfs/dbraw/zinc/23/04/79/1065230479.db2.gz IAFWPAJFVFBGNE-UHFFFAOYSA-N 1 0 455.647 4.329 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315860837 1065270793 /nfs/dbraw/zinc/27/07/93/1065270793.db2.gz HYLNMECQIPSZCB-UHFFFAOYSA-N 1 0 492.462 4.087 20 0 JIADRO COCC1=CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001315862945 1065275963 /nfs/dbraw/zinc/27/59/63/1065275963.db2.gz ROEOYLPPQUXWLR-MSOLQXFVSA-N 1 0 460.022 4.337 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315865947 1065282351 /nfs/dbraw/zinc/28/23/51/1065282351.db2.gz IMVBKPOMYIRRHT-UHFFFAOYSA-N 1 0 453.631 4.391 20 0 JIADRO COCC1=CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315866661 1065283624 /nfs/dbraw/zinc/28/36/24/1065283624.db2.gz WJOUOAAIPNYJSQ-UHFFFAOYSA-N 1 0 451.659 4.358 20 0 JIADRO COCC1=CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315867246 1065284996 /nfs/dbraw/zinc/28/49/96/1065284996.db2.gz JVKOXHSZHUWXCU-XMMPIXPASA-N 1 0 467.658 4.171 20 0 JIADRO COCC1=CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315869640 1065291913 /nfs/dbraw/zinc/29/19/13/1065291913.db2.gz QQUXDOZOYPRDEB-JTHBVZDNSA-N 1 0 467.658 4.377 20 0 JIADRO COCc1nocc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315873599 1065301717 /nfs/dbraw/zinc/30/17/17/1065301717.db2.gz OZCNYBIYCAGNFJ-SFHVURJKSA-N 1 0 486.592 4.051 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001315878872 1065312835 /nfs/dbraw/zinc/31/28/35/1065312835.db2.gz AJUJRTBRYSQXJN-OAQYLSRUSA-N 1 0 457.638 4.383 20 0 JIADRO COCc1nocc1Cn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001315881179 1065319280 /nfs/dbraw/zinc/31/92/80/1065319280.db2.gz VJAYBJCYEMNZCR-SIKLNZKXSA-N 1 0 466.630 4.248 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315881565 1065320599 /nfs/dbraw/zinc/32/05/99/1065320599.db2.gz QQRSDLLCKJSIFT-UPVQGACJSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001315883533 1065326033 /nfs/dbraw/zinc/32/60/33/1065326033.db2.gz UAAHXUIXVDJSFB-SFHVURJKSA-N 1 0 494.503 4.009 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315885273 1065331497 /nfs/dbraw/zinc/33/14/97/1065331497.db2.gz NIZDDWLXFUCHFZ-VXKWHMMOSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315886387 1065334671 /nfs/dbraw/zinc/33/46/71/1065334671.db2.gz WGWLCECSYHJDPZ-JTHBVZDNSA-N 1 0 457.638 4.381 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315887257 1065337513 /nfs/dbraw/zinc/33/75/13/1065337513.db2.gz JFUHKPCOVFKRNM-RSXGOPAZSA-N 1 0 499.700 4.084 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315887255 1065337547 /nfs/dbraw/zinc/33/75/47/1065337547.db2.gz JFUHKPCOVFKRNM-AOYPEHQESA-N 1 0 499.700 4.084 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001315888234 1065341162 /nfs/dbraw/zinc/34/11/62/1065341162.db2.gz UUTODYZBRMCAHT-JOCHJYFZSA-N 1 0 455.647 4.211 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315889958 1065345363 /nfs/dbraw/zinc/34/53/63/1065345363.db2.gz GTYXPTKIBUEEHS-MOPGFXCFSA-N 1 0 461.054 4.367 20 0 JIADRO COC[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315890491 1065347813 /nfs/dbraw/zinc/34/78/13/1065347813.db2.gz KOBOONDGSSXVCX-UNMCSNQZSA-N 1 0 450.631 4.332 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001315891053 1065349858 /nfs/dbraw/zinc/34/98/58/1065349858.db2.gz NQUZDPASZLKWIV-GNMOFYLKSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315892329 1065353380 /nfs/dbraw/zinc/35/33/80/1065353380.db2.gz CELXPNCRKLEANF-FCHUYYIVSA-N 1 0 455.647 4.185 20 0 JIADRO 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COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316106478 1065774747 /nfs/dbraw/zinc/77/47/47/1065774747.db2.gz AWPVQYVQIMOOCX-UHFFFAOYSA-N 1 0 462.436 4.056 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2csc(C)c2)C[C@@H]1C ZINC001316120248 1065786151 /nfs/dbraw/zinc/78/61/51/1065786151.db2.gz PFAATMUYTZAUMD-PKOBYXMFSA-N 1 0 473.618 4.132 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C)s2)C[C@@H]1C ZINC001316121755 1065787390 /nfs/dbraw/zinc/78/73/90/1065787390.db2.gz CVLRHMITENEANF-INIZCTEOSA-N 1 0 477.581 4.122 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H]1C ZINC001316121653 1065787727 /nfs/dbraw/zinc/78/77/27/1065787727.db2.gz BDLHNFVSTAWMQL-WOJBJXKFSA-N 1 0 477.600 4.326 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sccc2C)C[C@@H]1C ZINC001316121924 1065788486 /nfs/dbraw/zinc/78/84/86/1065788486.db2.gz FGFLOCNNIVPDBT-KRWDZBQOSA-N 1 0 477.581 4.122 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001316124685 1065792311 /nfs/dbraw/zinc/79/23/11/1065792311.db2.gz BTMBWCPKRWXUSE-JXFKEZNVSA-N 1 0 470.445 4.080 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2cccnc2)C[C@@H]1C ZINC001316124987 1065793183 /nfs/dbraw/zinc/79/31/83/1065793183.db2.gz ISEQNFMNJKVPIP-KRWDZBQOSA-N 1 0 475.424 4.047 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CCCS2)C[C@@H]1C ZINC001316125418 1065795104 /nfs/dbraw/zinc/79/51/04/1065795104.db2.gz PILGKYCBZVVYTF-AOMKIAJQSA-N 1 0 468.042 4.180 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC001316125575 1065796476 /nfs/dbraw/zinc/79/64/76/1065796476.db2.gz QVHUBSPRYDISNK-SXWKCWPCSA-N 1 0 476.065 4.351 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2CCc2csc(C(C)(C)C)n2)C[C@@H]1C ZINC001316128559 1065800524 /nfs/dbraw/zinc/80/05/24/1065800524.db2.gz IICUSOVRALLQEG-IBGZPJMESA-N 1 0 468.671 4.099 20 0 JIADRO 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COCCO[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316163535 1065831407 /nfs/dbraw/zinc/83/14/07/1065831407.db2.gz DBGDEONMYARRPT-ZCYQVOJMSA-N 1 0 467.658 4.461 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316172674 1065845920 /nfs/dbraw/zinc/84/59/20/1065845920.db2.gz BDIDJJSSPJTBSX-LGVFNWMJSA-N 1 0 485.673 4.125 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001316172991 1065846937 /nfs/dbraw/zinc/84/69/37/1065846937.db2.gz BLZHGTNSZGTYJN-JOCHJYFZSA-N 1 0 455.647 4.273 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316174744 1065850373 /nfs/dbraw/zinc/85/03/73/1065850373.db2.gz XWDSPCZDUSRFQP-MJGOQNOKSA-N 1 0 498.510 4.392 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316175503 1065851842 /nfs/dbraw/zinc/85/18/42/1065851842.db2.gz BUMSIIWQXAAZHH-DRSNIGMVSA-N 1 0 474.477 4.412 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001316178473 1065857704 /nfs/dbraw/zinc/85/77/04/1065857704.db2.gz YHDFXUFTRODADH-ABMICEGHSA-N 1 0 499.700 4.272 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316187145 1065873868 /nfs/dbraw/zinc/87/38/68/1065873868.db2.gz DIVRIBBAYJESHW-NJAFHUGGSA-N 1 0 475.581 4.145 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001316187202 1065874315 /nfs/dbraw/zinc/87/43/15/1065874315.db2.gz FBROAUGTJAMBAQ-ROUUACIJSA-N 1 0 461.573 4.045 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001316189532 1065878717 /nfs/dbraw/zinc/87/87/17/1065878717.db2.gz NOUPHTFLYWNVCF-DENIHFKCSA-N 1 0 491.627 4.321 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001316192661 1065884999 /nfs/dbraw/zinc/88/49/99/1065884999.db2.gz FJJQEVBRPGUMEZ-MTPWMDRRSA-N 1 0 491.721 4.034 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCc3sccc3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001316193210 1065885919 /nfs/dbraw/zinc/88/59/19/1065885919.db2.gz SQHSEWWHDNMLRK-PMACEKPBSA-N 1 0 461.676 4.281 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCc1ccc(F)cc1Cl ZINC001316195888 1065890034 /nfs/dbraw/zinc/89/00/34/1065890034.db2.gz JTECHOWYTCLVRV-GHTZIAJQSA-N 1 0 480.028 4.102 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001316201691 1065900218 /nfs/dbraw/zinc/90/02/18/1065900218.db2.gz YNTSPXLJSCUJHD-JRFVFWCSSA-N 1 0 485.673 4.091 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CCCC(C)(C)C ZINC001316205215 1065906005 /nfs/dbraw/zinc/90/60/05/1065906005.db2.gz DIUMHRUWBCAFOT-OAQYLSRUSA-N 1 0 469.674 4.118 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316209922 1065912541 /nfs/dbraw/zinc/91/25/41/1065912541.db2.gz NBMLAJMOGLLGHK-FPGHNAPASA-N 1 0 479.691 4.008 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCc2ccccc21 ZINC001316211319 1065914740 /nfs/dbraw/zinc/91/47/40/1065914740.db2.gz IKWMLXAKOWVLJQ-JTHBVZDNSA-N 1 0 469.674 4.290 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316212192 1065917606 /nfs/dbraw/zinc/91/76/06/1065917606.db2.gz MKENOZWLISARSI-UXGLMHHASA-N 1 0 479.710 4.012 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316217578 1065929235 /nfs/dbraw/zinc/92/92/35/1065929235.db2.gz IMFSIPLANVSDEL-YPAWHYETSA-N 1 0 479.735 4.379 20 0 JIADRO COCCOc1cc(C)ccc1Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001316227692 1065946901 /nfs/dbraw/zinc/94/69/01/1065946901.db2.gz DCDNUGQFEDMWCD-JOCHJYFZSA-N 1 0 469.674 4.449 20 0 JIADRO COCCOc1cc(C)ccc1Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001316227696 1065946989 /nfs/dbraw/zinc/94/69/89/1065946989.db2.gz DCDNUGQFEDMWCD-QFIPXVFZSA-N 1 0 469.674 4.449 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001316231928 1065958306 /nfs/dbraw/zinc/95/83/06/1065958306.db2.gz AJAPCGPEEDENHC-TZIWHRDSSA-N 1 0 489.730 4.351 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)C1 ZINC001316237583 1065972587 /nfs/dbraw/zinc/97/25/87/1065972587.db2.gz UIZGVQRRXCGWDT-PZJWPPBQSA-N 1 0 475.703 4.103 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001316240268 1065978910 /nfs/dbraw/zinc/97/89/10/1065978910.db2.gz GPKPPBUDFMVKSO-AZUAARDMSA-N 1 0 480.028 4.101 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001316240778 1065979430 /nfs/dbraw/zinc/97/94/30/1065979430.db2.gz VGNJOKXREGQSCS-UHFFFAOYSA-N 1 0 462.038 4.105 20 0 JIADRO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001316241437 1065981609 /nfs/dbraw/zinc/98/16/09/1065981609.db2.gz ZTFQGQBWRXKQQL-FQEVSTJZSA-N 1 0 476.065 4.495 20 0 JIADRO COCCOC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001316246221 1065987504 /nfs/dbraw/zinc/98/75/04/1065987504.db2.gz ANZOWTVKXZDKGL-JIPXPUAJSA-N 1 0 487.664 4.150 20 0 JIADRO COCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001316264656 1066009875 /nfs/dbraw/zinc/00/98/75/1066009875.db2.gz OBLKBQRNLORVMO-VQTJNVASSA-N 1 0 494.055 4.491 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(C)cs2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316271717 1066017594 /nfs/dbraw/zinc/01/75/94/1066017594.db2.gz LAUYGJAKRUJQKS-WMQCIHAUSA-N 1 0 475.684 4.373 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316271703 1066017645 /nfs/dbraw/zinc/01/76/45/1066017645.db2.gz KSJPZSDVBLMSBR-BWAGFHJFSA-N 1 0 477.600 4.037 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316272650 1066019327 /nfs/dbraw/zinc/01/93/27/1066019327.db2.gz LVBQOCQGHBAZEK-KAMZKSLDSA-N 1 0 455.647 4.320 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccccc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316272653 1066019394 /nfs/dbraw/zinc/01/93/94/1066019394.db2.gz LVBQOCQGHBAZEK-XGAJZPNHSA-N 1 0 455.647 4.320 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316278196 1066031874 /nfs/dbraw/zinc/03/18/74/1066031874.db2.gz UNUCNNHEZRGNHX-FPOVZHCZSA-N 1 0 461.676 4.007 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(OC)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316291133 1066051245 /nfs/dbraw/zinc/05/12/45/1066051245.db2.gz DILDHRRIDIKCKC-YAMFRZSZSA-N 1 0 491.721 4.154 20 0 JIADRO CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316314071 1066070351 /nfs/dbraw/zinc/07/03/51/1066070351.db2.gz QNLVYHPPLJHMHG-JMJGKCIBSA-N 1 0 455.647 4.495 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001316322773 1066078507 /nfs/dbraw/zinc/07/85/07/1066078507.db2.gz XGSCNICKFGMZKB-NHCUHLMSSA-N 1 0 455.628 4.063 20 0 JIADRO CSC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001316365799 1066106746 /nfs/dbraw/zinc/10/67/46/1066106746.db2.gz RRSYEVKUKWUBGD-NVXWUHKLSA-N 1 0 451.587 4.361 20 0 JIADRO C[S@](=O)C1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001316365703 1066106856 /nfs/dbraw/zinc/10/68/56/1066106856.db2.gz HPHHSZNPAOTSPM-YTTGMZPUSA-N 1 0 496.146 4.446 20 0 JIADRO CSC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001316365774 1066106896 /nfs/dbraw/zinc/10/68/96/1066106896.db2.gz QVCIMIDSRXJLIJ-PMACEKPBSA-N 1 0 491.677 4.247 20 0 JIADRO CS[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001316377699 1066142990 /nfs/dbraw/zinc/14/29/90/1066142990.db2.gz PVKHXANBSIKTSE-MRXNPFEDSA-N 1 0 481.508 4.252 20 0 JIADRO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316384605 1066153814 /nfs/dbraw/zinc/15/38/14/1066153814.db2.gz WJEQDCZNOOGTKB-DYESRHJHSA-N 1 0 456.685 4.096 20 0 JIADRO CS[C@H](Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC001316392094 1066165838 /nfs/dbraw/zinc/16/58/38/1066165838.db2.gz NLRCIWGNOGPDIY-FGZHOGPDSA-N 1 0 457.688 4.179 20 0 JIADRO CS[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)(C)C ZINC001316392571 1066167266 /nfs/dbraw/zinc/16/72/66/1066167266.db2.gz DOQYHHDCHQMZBW-VXKWHMMOSA-N 1 0 457.688 4.190 20 0 JIADRO CS[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316397078 1066174780 /nfs/dbraw/zinc/17/47/80/1066174780.db2.gz XPHCGTNDDMEERS-LEWJYISDSA-N 1 0 473.687 4.489 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316397305 1066175009 /nfs/dbraw/zinc/17/50/09/1066175009.db2.gz CSKHMBPJEWAGTO-UXHICEINSA-N 1 0 494.750 4.359 20 0 JIADRO CS[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC001316399957 1066177428 /nfs/dbraw/zinc/17/74/28/1066177428.db2.gz MFXXEAOJQNSZCE-UYAOXDASSA-N 1 0 490.743 4.112 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC[NH+](C)CC1 ZINC001316401448 1066179417 /nfs/dbraw/zinc/17/94/17/1066179417.db2.gz BCCRKHOZJVZSSY-GJZGRUSLSA-N 1 0 499.548 4.193 20 0 JIADRO CSC1(Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316403681 1066184932 /nfs/dbraw/zinc/18/49/32/1066184932.db2.gz GAICGBKKRXNKEU-WAUFSOIDSA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316404623 1066186731 /nfs/dbraw/zinc/18/67/31/1066186731.db2.gz ANFFNKXDAVUONY-IBGZPJMESA-N 1 0 492.734 4.209 20 0 JIADRO CSC1(Cn2c(-c3ccccc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001316405048 1066187123 /nfs/dbraw/zinc/18/71/23/1066187123.db2.gz VUTWUHGUKJMUAQ-QFIPXVFZSA-N 1 0 497.631 4.302 20 0 JIADRO CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cc(C)on2)CC[NH+](C)CC1 ZINC001316409382 1066194698 /nfs/dbraw/zinc/19/46/98/1066194698.db2.gz GTOGPCJLDJVSTE-UHFFFAOYSA-N 1 0 484.670 4.234 20 0 JIADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316409105 1066194714 /nfs/dbraw/zinc/19/47/14/1066194714.db2.gz WFMCQLPDMBDNQX-HSZRJFAPSA-N 1 0 471.715 4.256 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC[NH+](C)CC1 ZINC001316409781 1066195986 /nfs/dbraw/zinc/19/59/86/1066195986.db2.gz ICQBUMJNHNIJGQ-PMACEKPBSA-N 1 0 475.728 4.323 20 0 JIADRO CSC1(Cn2c(COc3ccccc3F)nnc2N2CCCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316410179 1066197811 /nfs/dbraw/zinc/19/78/11/1066197811.db2.gz QIMUQEMHBKBXCF-LJQANCHMSA-N 1 0 461.651 4.450 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)C2CCC(C)CC2)CC[NH+](C)CC1 ZINC001316412141 1066201934 /nfs/dbraw/zinc/20/19/34/1066201934.db2.gz ZVPIGZYCIYJTDF-UHFFFAOYSA-N 1 0 462.733 4.476 20 0 JIADRO Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001492498594 1066222463 /nfs/dbraw/zinc/22/24/63/1066222463.db2.gz LHVBKDVSKWHETE-LJQANCHMSA-N 1 0 459.598 4.410 20 0 JIADRO CSc1ccc(CCn2c(CC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001316420658 1066225506 /nfs/dbraw/zinc/22/55/06/1066225506.db2.gz QJKZZASVQCYSNA-UHFFFAOYSA-N 1 0 484.758 4.436 20 0 JIADRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[NH+]1CCCC1 ZINC001324830737 1066230444 /nfs/dbraw/zinc/23/04/44/1066230444.db2.gz KZCNCVNOHSCOES-DEOSSOPVSA-N 1 0 470.577 4.065 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427344 1066251105 /nfs/dbraw/zinc/25/11/05/1066251105.db2.gz INLJLGGBTUYNNS-XZOQPEGZSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427868 1066253063 /nfs/dbraw/zinc/25/30/63/1066253063.db2.gz LIJAUQQEEIKYLB-GOTSBHOMSA-N 1 0 468.646 4.428 20 0 JIADRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001325540831 1066253719 /nfs/dbraw/zinc/25/37/19/1066253719.db2.gz ZHXUXMIVWGZIGS-UHFFFAOYSA-N 1 0 468.602 4.007 20 0 JIADRO CSC[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316431296 1066269639 /nfs/dbraw/zinc/26/96/39/1066269639.db2.gz ANBRYLAEBWHVLJ-WOJBJXKFSA-N 1 0 491.677 4.124 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316431290 1066269874 /nfs/dbraw/zinc/26/98/74/1066269874.db2.gz ANBRYLAEBWHVLJ-PMACEKPBSA-N 1 0 491.677 4.124 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)c2)CC1 ZINC001326128140 1066285577 /nfs/dbraw/zinc/28/55/77/1066285577.db2.gz DDNDYJPKEFMCAI-UHFFFAOYSA-N 1 0 475.559 4.375 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001492500650 1066287406 /nfs/dbraw/zinc/28/74/06/1066287406.db2.gz MEXWNUBZAHDOBW-FQEVSTJZSA-N 1 0 497.616 4.198 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001316437910 1066291369 /nfs/dbraw/zinc/29/13/69/1066291369.db2.gz SHERSNSNGKXJCE-OALUTQOASA-N 1 0 482.069 4.306 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001316438949 1066293943 /nfs/dbraw/zinc/29/39/43/1066293943.db2.gz KLZPLNZPVBETEH-HSZRJFAPSA-N 1 0 456.704 4.354 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001316440017 1066297150 /nfs/dbraw/zinc/29/71/50/1066297150.db2.gz PQUFIQXKJZBSFB-ACRUOGEOSA-N 1 0 492.734 4.065 20 0 JIADRO COc1ccc(CCN(Cc2ccccc2)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001326469815 1066298890 /nfs/dbraw/zinc/29/88/90/1066298890.db2.gz HTCDTKWCZOEOLD-UHFFFAOYSA-N 1 0 472.633 4.402 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492502496 1066304558 /nfs/dbraw/zinc/30/45/58/1066304558.db2.gz YHBQLICOBDDKKB-XMMPIXPASA-N 1 0 483.060 4.338 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001316442994 1066306458 /nfs/dbraw/zinc/30/64/58/1066306458.db2.gz WIZCIDIJECLWNZ-IRLDBZIGSA-N 1 0 459.708 4.126 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001316443751 1066308816 /nfs/dbraw/zinc/30/88/16/1066308816.db2.gz SYDMMAHBABRXSP-FQEVSTJZSA-N 1 0 461.651 4.450 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCc3ccccn3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001492502597 1066309290 /nfs/dbraw/zinc/30/92/90/1066309290.db2.gz AYCKXWUJTZCWLR-UHFFFAOYSA-N 1 0 455.610 4.222 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001316444056 1066310022 /nfs/dbraw/zinc/31/00/22/1066310022.db2.gz VWVBAMQVCXZVKA-KNQAVFIVSA-N 1 0 459.704 4.158 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001316444057 1066310669 /nfs/dbraw/zinc/31/06/69/1066310669.db2.gz VWVBAMQVCXZVKA-SIKLNZKXSA-N 1 0 459.704 4.158 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)CC1 ZINC001327150275 1066311139 /nfs/dbraw/zinc/31/11/39/1066311139.db2.gz GRWGLBBQIRGOMA-UHFFFAOYSA-N 1 0 490.069 4.033 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316445041 1066313284 /nfs/dbraw/zinc/31/32/84/1066313284.db2.gz DGVIZNIQJDHQJD-PMACEKPBSA-N 1 0 468.671 4.039 20 0 JIADRO C[C@@]1(c2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c2)NC(=O)NC1=O ZINC001327213550 1066313873 /nfs/dbraw/zinc/31/38/73/1066313873.db2.gz XCWPZJJLJKSVKA-MHZLTWQESA-N 1 0 469.520 4.023 20 0 JIADRO Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492504781 1066322237 /nfs/dbraw/zinc/32/22/37/1066322237.db2.gz IMZRJZIMPYSADH-PMACEKPBSA-N 1 0 454.663 4.146 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492505669 1066323864 /nfs/dbraw/zinc/32/38/64/1066323864.db2.gz CWEAUQZJAORIBD-SVMVAKDDSA-N 1 0 454.619 4.421 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316449698 1066327369 /nfs/dbraw/zinc/32/73/69/1066327369.db2.gz IWZOANGQNOJQSM-MZKRTTBSSA-N 1 0 473.687 4.489 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492506879 1066329101 /nfs/dbraw/zinc/32/91/01/1066329101.db2.gz NDVZAKLLTNIQRL-JOCHJYFZSA-N 1 0 454.663 4.289 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)C2)ccn1 ZINC001328858936 1066330603 /nfs/dbraw/zinc/33/06/03/1066330603.db2.gz TZOYWSIFBMJUIL-PKTZIBPZSA-N 1 0 474.646 4.081 20 0 JIADRO CSCCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316451886 1066332826 /nfs/dbraw/zinc/33/28/26/1066332826.db2.gz NINXZLRCSRPNCR-GOSISDBHSA-N 1 0 481.508 4.254 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[NH+]1CCC(C)CC1 ZINC001316453157 1066336423 /nfs/dbraw/zinc/33/64/23/1066336423.db2.gz ZAUVVEXFBDKMPO-SIKLNZKXSA-N 1 0 459.660 4.100 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492510197 1066340192 /nfs/dbraw/zinc/34/01/92/1066340192.db2.gz JYSMPKMIICTIEF-JOCHJYFZSA-N 1 0 497.688 4.359 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140022 1066346829 /nfs/dbraw/zinc/34/68/29/1066346829.db2.gz IWTNDBJEBDGVFW-OALUTQOASA-N 1 0 457.416 4.077 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)n1 ZINC001492511742 1066347825 /nfs/dbraw/zinc/34/78/25/1066347825.db2.gz IGRYHPPOBZZHRO-JOCHJYFZSA-N 1 0 497.688 4.218 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492514552 1066355972 /nfs/dbraw/zinc/35/59/72/1066355972.db2.gz OKOFJSWXPFNNPU-YADHBBJMSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492514550 1066356133 /nfs/dbraw/zinc/35/61/33/1066356133.db2.gz OKOFJSWXPFNNPU-VXKWHMMOSA-N 1 0 481.689 4.044 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316465155 1066364778 /nfs/dbraw/zinc/36/47/78/1066364778.db2.gz FSIIFKNBFOKLLT-IBGZPJMESA-N 1 0 473.668 4.270 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492518637 1066379871 /nfs/dbraw/zinc/37/98/71/1066379871.db2.gz LWYHSIRXVHVKBB-DRMXPCRNSA-N 1 0 493.622 4.232 20 0 JIADRO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001316472595 1066380804 /nfs/dbraw/zinc/38/08/04/1066380804.db2.gz CTXPZRUTUXLVAP-HZPDHXFCSA-N 1 0 450.450 4.134 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)c2)CC1 ZINC001333806809 1066391100 /nfs/dbraw/zinc/39/11/00/1066391100.db2.gz UZALSDVUMNUVPN-UHFFFAOYSA-N 1 0 471.577 4.081 20 0 JIADRO Cc1cccc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492523193 1066394232 /nfs/dbraw/zinc/39/42/32/1066394232.db2.gz LSFHHIIQRNXQSX-DNQXCXABSA-N 1 0 487.714 4.339 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(-c4cnccn4)n3CCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492524246 1066397407 /nfs/dbraw/zinc/39/74/07/1066397407.db2.gz IROXWHGTLHTUCK-UHFFFAOYSA-N 1 0 491.684 4.126 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CCOc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001334602243 1066397542 /nfs/dbraw/zinc/39/75/42/1066397542.db2.gz FFRGWTJZNASQDQ-LJQANCHMSA-N 1 0 452.382 4.289 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001316486492 1066407638 /nfs/dbraw/zinc/40/76/38/1066407638.db2.gz BZTUAQQSLKSBSI-VQIMIIECSA-N 1 0 484.998 4.259 20 0 JIADRO C[C@@H]1CN(c2nnc(CC3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C(F)(F)F ZINC001316490812 1066425601 /nfs/dbraw/zinc/42/56/01/1066425601.db2.gz GKVQGJNLPJCUOF-DYESRHJHSA-N 1 0 465.564 4.048 20 0 JIADRO Cc1cccc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001492528097 1066427910 /nfs/dbraw/zinc/42/79/10/1066427910.db2.gz DBQLSSYAIFSNKA-OAQYLSRUSA-N 1 0 466.605 4.281 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1F ZINC001316491844 1066428030 /nfs/dbraw/zinc/42/80/30/1066428030.db2.gz ISTDLEPYDCKZKT-BKULYWANSA-N 1 0 487.664 4.186 20 0 JIADRO Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001492530299 1066447155 /nfs/dbraw/zinc/44/71/55/1066447155.db2.gz AZSDWLYSUNSFLW-SZPZYZBQSA-N 1 0 468.690 4.138 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1N1CC[NH+](C)CC1 ZINC001337310436 1066472709 /nfs/dbraw/zinc/47/27/09/1066472709.db2.gz QNQVTQMZYTZXCV-JOCHJYFZSA-N 1 0 475.420 4.297 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CCCc2ccccc2)n1CCCOC(F)(F)F ZINC001316504020 1066473393 /nfs/dbraw/zinc/47/33/93/1066473393.db2.gz GLQNQHRKDJXXGT-FQEVSTJZSA-N 1 0 495.590 4.069 20 0 JIADRO Clc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCSCC2)c1 ZINC001316506288 1066481731 /nfs/dbraw/zinc/48/17/31/1066481731.db2.gz GUWKXVUOSVCRAU-UHFFFAOYSA-N 1 0 468.852 4.136 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1nn(-c2ccccc2F)cc1Br ZINC001337475851 1066485294 /nfs/dbraw/zinc/48/52/94/1066485294.db2.gz KREWSQUIGFTGJM-UHFFFAOYSA-N 1 0 457.347 4.300 20 0 JIADRO FC(F)(F)OCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316514546 1066506818 /nfs/dbraw/zinc/50/68/18/1066506818.db2.gz BONHPHGBUSOVBJ-UHFFFAOYSA-N 1 0 457.566 4.312 20 0 JIADRO FC(F)(F)CSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316515340 1066509644 /nfs/dbraw/zinc/50/96/44/1066509644.db2.gz SPRIZIVVWGLCAE-INIZCTEOSA-N 1 0 489.995 4.053 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001337983287 1066523785 /nfs/dbraw/zinc/52/37/85/1066523785.db2.gz UDJUHQBELABKGU-QGZVFWFLSA-N 1 0 484.449 4.185 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001338245911 1066540167 /nfs/dbraw/zinc/54/01/67/1066540167.db2.gz CPEAFKIIPGWWNY-UHFFFAOYSA-N 1 0 467.614 4.175 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)c1C ZINC001338539165 1066562424 /nfs/dbraw/zinc/56/24/24/1066562424.db2.gz SUWGDWUAXMUJME-OAHLLOKOSA-N 1 0 457.644 4.417 20 0 JIADRO Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC001338750467 1066570842 /nfs/dbraw/zinc/57/08/42/1066570842.db2.gz ADSJTYLHFWMBGQ-UHFFFAOYSA-N 1 0 488.654 4.349 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCN(C)CC(F)(F)F)CC2)c1 ZINC001492534875 1066582293 /nfs/dbraw/zinc/58/22/93/1066582293.db2.gz QZZYCZPESAQLAT-UHFFFAOYSA-N 1 0 466.596 4.090 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOCC(F)F)CC2)c1 ZINC001492535068 1066582894 /nfs/dbraw/zinc/58/28/94/1066582894.db2.gz ZEYKMCFDJVAIOL-FYYLOGMGSA-N 1 0 491.627 4.109 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C(F)(F)F)CC2)c1 ZINC001492534712 1066583040 /nfs/dbraw/zinc/58/30/40/1066583040.db2.gz LLCDIWHTJZIHGO-LJQANCHMSA-N 1 0 451.537 4.001 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536755 1066591324 /nfs/dbraw/zinc/59/13/24/1066591324.db2.gz HORYYQIVRYJKSL-ZRZAMGCNSA-N 1 0 468.690 4.365 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1 ZINC001342539211 1066597534 /nfs/dbraw/zinc/59/75/34/1066597534.db2.gz SVZGDVSJGDPMHL-QFIPXVFZSA-N 1 0 450.535 4.128 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492538512 1066616512 /nfs/dbraw/zinc/61/65/12/1066616512.db2.gz HSAZKJBBTPLGEH-FQEVSTJZSA-N 1 0 454.644 4.379 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541566 1066649201 /nfs/dbraw/zinc/64/92/01/1066649201.db2.gz HERMDCXXHYVNEO-LADGPHEKSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492542181 1066654771 /nfs/dbraw/zinc/65/47/71/1066654771.db2.gz LCRGSWGPXWZEGN-FPOVZHCZSA-N 1 0 495.590 4.444 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001492543230 1066664862 /nfs/dbraw/zinc/66/48/62/1066664862.db2.gz DZAGKDJIECQEFT-VXKWHMMOSA-N 1 0 455.647 4.338 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001492543404 1066668146 /nfs/dbraw/zinc/66/81/46/1066668146.db2.gz KYBLHHBQJQBFBY-UHFFFAOYSA-N 1 0 472.037 4.197 20 0 JIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001347946527 1066709912 /nfs/dbraw/zinc/70/99/12/1066709912.db2.gz BUIJCRMBWZYLTH-HXUWFJFHSA-N 1 0 450.048 4.160 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001492544767 1066710050 /nfs/dbraw/zinc/71/00/50/1066710050.db2.gz XPZPLYMPZXRIJR-IBGZPJMESA-N 1 0 481.563 4.055 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)c(C(F)(F)F)c2)CC1 ZINC001317853819 1066734040 /nfs/dbraw/zinc/73/40/40/1066734040.db2.gz OQUKSAFBFYPZMA-UHFFFAOYSA-N 1 0 459.472 4.079 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCC([NH+](CC)CC)CC2)cc1 ZINC001317886538 1066756051 /nfs/dbraw/zinc/75/60/51/1066756051.db2.gz KMHXIWZNKMNMNW-UHFFFAOYSA-N 1 0 458.628 4.240 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)ccn1 ZINC001348683556 1066769904 /nfs/dbraw/zinc/76/99/04/1066769904.db2.gz SDKHKPFQEPENHR-UHFFFAOYSA-N 1 0 457.328 4.224 20 0 JIADRO Cc1cc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)ccc1N1CC[NH+](C)CC1 ZINC001317916165 1066784853 /nfs/dbraw/zinc/78/48/53/1066784853.db2.gz YNKODUASRAEGOM-UHFFFAOYSA-N 1 0 475.568 4.460 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001317917036 1066785445 /nfs/dbraw/zinc/78/54/45/1066785445.db2.gz MHBZSONNOLCMLH-KRWDZBQOSA-N 1 0 453.425 4.062 20 0 JIADRO Cc1cc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)ccc1N1CC[NH+](C)CC1 ZINC001317922076 1066788481 /nfs/dbraw/zinc/78/84/81/1066788481.db2.gz CJSZRGAORHRISD-UHFFFAOYSA-N 1 0 464.589 4.373 20 0 JIADRO C[C@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001348920866 1066789872 /nfs/dbraw/zinc/78/98/72/1066789872.db2.gz VGZVNUAVKINHSU-IBGZPJMESA-N 1 0 457.640 4.444 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CC1 ZINC001317968626 1066821173 /nfs/dbraw/zinc/82/11/73/1066821173.db2.gz QMCKSAOGXNTABE-UHFFFAOYSA-N 1 0 466.626 4.071 20 0 JIADRO Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1N1CC[NH+](C)CC1 ZINC001318004922 1066846508 /nfs/dbraw/zinc/84/65/08/1066846508.db2.gz COBDGTGSKKTJAQ-JOCHJYFZSA-N 1 0 473.415 4.115 20 0 JIADRO Cc1ccc(C)c(N2N=C(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)CCC2=O)c1 ZINC001349561683 1066854272 /nfs/dbraw/zinc/85/42/72/1066854272.db2.gz LGQYUXSRRMQHBB-JOCHJYFZSA-N 1 0 452.624 4.437 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001318027564 1066859139 /nfs/dbraw/zinc/85/91/39/1066859139.db2.gz KWNOGWJPYSBOLH-NRFANRHFSA-N 1 0 450.627 4.395 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084327 1066891960 /nfs/dbraw/zinc/89/19/60/1066891960.db2.gz XJANOKPPVBCOSW-UDZXTKBFSA-N 1 0 463.622 4.336 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084321 1066892032 /nfs/dbraw/zinc/89/20/32/1066892032.db2.gz XJANOKPPVBCOSW-FZBZCGEPSA-N 1 0 463.622 4.336 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001318088318 1066893835 /nfs/dbraw/zinc/89/38/35/1066893835.db2.gz XKNFEDNFWGZBCN-UHFFFAOYSA-N 1 0 482.632 4.271 20 0 JIADRO O=C(CSc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC001318102895 1066900344 /nfs/dbraw/zinc/90/03/44/1066900344.db2.gz OUEOSEWLAVIVMV-IARNNAAMSA-N 1 0 467.679 4.174 20 0 JIADRO COc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc(Br)c1OC ZINC001318103843 1066900808 /nfs/dbraw/zinc/90/08/08/1066900808.db2.gz DEXSXZGAGJJCQQ-UHFFFAOYSA-N 1 0 476.415 4.192 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC001350017970 1066906562 /nfs/dbraw/zinc/90/65/62/1066906562.db2.gz KBWYRIAPFWLFHH-HZPDHXFCSA-N 1 0 467.517 4.381 20 0 JIADRO CCc1nc(COc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)no1 ZINC001350070704 1066912215 /nfs/dbraw/zinc/91/22/15/1066912215.db2.gz DHHQZQUQUFDXSU-HXUWFJFHSA-N 1 0 454.596 4.476 20 0 JIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001350116273 1066920529 /nfs/dbraw/zinc/92/05/29/1066920529.db2.gz XYXLELASMHJKKI-UHFFFAOYSA-N 1 0 459.638 4.044 20 0 JIADRO COc1cccc(N2CCC(NC(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)CC2)c1 ZINC001318147761 1066925194 /nfs/dbraw/zinc/92/51/94/1066925194.db2.gz MKNDGRFRIPJLDU-UHFFFAOYSA-N 1 0 450.627 4.014 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156307 1066928568 /nfs/dbraw/zinc/92/85/68/1066928568.db2.gz MOWJEJDERLCFDL-FYYLOGMGSA-N 1 0 458.647 4.248 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001350190831 1066929001 /nfs/dbraw/zinc/92/90/01/1066929001.db2.gz HABHUKYFQPCQOE-QHCPKHFHSA-N 1 0 452.599 4.108 20 0 JIADRO CCOc1ccc2c(c1)CN(C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)CC2 ZINC001318157903 1066930368 /nfs/dbraw/zinc/93/03/68/1066930368.db2.gz YOQSHZNFXAZTHQ-LJQANCHMSA-N 1 0 454.590 4.195 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O)c1ccccc1 ZINC001350226184 1066933892 /nfs/dbraw/zinc/93/38/92/1066933892.db2.gz NZCKOIGSNOKHGW-NELHNXLGSA-N 1 0 451.592 4.231 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC001350370327 1066949056 /nfs/dbraw/zinc/94/90/56/1066949056.db2.gz WOXXKJLYMXBSPG-UHFFFAOYSA-N 1 0 457.928 4.039 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)CC2)c1 ZINC001318192121 1066950142 /nfs/dbraw/zinc/95/01/42/1066950142.db2.gz CMJANTQYSPBYJA-HSZRJFAPSA-N 1 0 456.656 4.498 20 0 JIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCC2)cc1 ZINC001318194132 1066951121 /nfs/dbraw/zinc/95/11/21/1066951121.db2.gz NJONCNGAOOABNI-VWLOTQADSA-N 1 0 470.577 4.065 20 0 JIADRO COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001318205531 1066957885 /nfs/dbraw/zinc/95/78/85/1066957885.db2.gz JRMXYJOFZKKSCV-SFHVURJKSA-N 1 0 472.383 4.020 20 0 JIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318214134 1066963373 /nfs/dbraw/zinc/96/33/73/1066963373.db2.gz BLEFIZNPTBXLCG-HXUWFJFHSA-N 1 0 458.587 4.065 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)CC2)cc1 ZINC001318217159 1066965744 /nfs/dbraw/zinc/96/57/44/1066965744.db2.gz YZRSXTAKYNRBAK-UHFFFAOYSA-N 1 0 477.630 4.168 20 0 JIADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC001318243749 1066980976 /nfs/dbraw/zinc/98/09/76/1066980976.db2.gz XVPOSYGCGKFRIM-NHCUHLMSSA-N 1 0 467.633 4.046 20 0 JIADRO Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1S(=O)(=O)N(C)C ZINC001350628324 1066981495 /nfs/dbraw/zinc/98/14/95/1066981495.db2.gz OCTTVMZSLAMODK-BJKOFHAPSA-N 1 0 469.651 4.122 20 0 JIADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318248769 1066982836 /nfs/dbraw/zinc/98/28/36/1066982836.db2.gz VDBHQICWFJFJIB-UHFFFAOYSA-N 1 0 480.609 4.125 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001492548125 1066985683 /nfs/dbraw/zinc/98/56/83/1066985683.db2.gz SMLICVGRAQILSP-ISKFKSNPSA-N 1 0 455.647 4.291 20 0 JIADRO CCCc1c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001350749656 1066996860 /nfs/dbraw/zinc/99/68/60/1066996860.db2.gz XDYLDMAUEDUODB-UHFFFAOYSA-N 1 0 452.990 4.267 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001318280053 1066999447 /nfs/dbraw/zinc/99/94/47/1066999447.db2.gz FFTQOQBVELIKBT-UHFFFAOYSA-N 1 0 474.667 4.261 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC001318284605 1067002367 /nfs/dbraw/zinc/00/23/67/1067002367.db2.gz XKGPQGIAJJDKDF-UHFFFAOYSA-N 1 0 475.593 4.260 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(C)nc4cc(F)ccc43)CC2)c1C ZINC001318306799 1067009994 /nfs/dbraw/zinc/00/99/94/1067009994.db2.gz KIUFPSCBWIHVKI-UHFFFAOYSA-N 1 0 450.558 4.439 20 0 JIADRO CC1(C)C[N@@H+](C2(CNC(=O)c3nn(-c4ccccc4F)cc3Br)CCCCC2)CCO1 ZINC001318328822 1067019863 /nfs/dbraw/zinc/01/98/63/1067019863.db2.gz YQHIJYVIBOGPQH-UHFFFAOYSA-N 1 0 493.421 4.317 20 0 JIADRO CN1C(=O)C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001350953926 1067024643 /nfs/dbraw/zinc/02/46/43/1067024643.db2.gz QCQYXMPHFWOSPS-RDPSFJRHSA-N 1 0 457.977 4.301 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001300685795 1067026809 /nfs/dbraw/zinc/02/68/09/1067026809.db2.gz BZQBBNXVJXOSSX-OALUTQOASA-N 1 0 461.701 4.395 20 0 JIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 ZINC001318348413 1067027306 /nfs/dbraw/zinc/02/73/06/1067027306.db2.gz KRNDTOQVUNPSSQ-UHFFFAOYSA-N 1 0 490.519 4.442 20 0 JIADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCCc1coc(-c2ccccc2)n1 ZINC001318348213 1067027444 /nfs/dbraw/zinc/02/74/44/1067027444.db2.gz SZKFZQWIAVMOBD-UHFFFAOYSA-N 1 0 468.001 4.049 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 ZINC001318347680 1067027521 /nfs/dbraw/zinc/02/75/21/1067027521.db2.gz MMXWOPVEDADDKK-UHFFFAOYSA-N 1 0 450.292 4.149 20 0 JIADRO COc1ccc([C@@H](CNC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[NH+]2CCCCC2)cc1 ZINC001351032385 1067034961 /nfs/dbraw/zinc/03/49/61/1067034961.db2.gz ADGNANJNSVVQMG-FGZHOGPDSA-N 1 0 459.949 4.324 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492548641 1067040880 /nfs/dbraw/zinc/04/08/80/1067040880.db2.gz HETOYNHMGJDKHZ-IFMALSPDSA-N 1 0 484.670 4.176 20 0 JIADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1F)c1cccc(OC)c1 ZINC001318420188 1067041706 /nfs/dbraw/zinc/04/17/06/1067041706.db2.gz YBNNLCXOVBFXEE-HXUWFJFHSA-N 1 0 473.408 4.099 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC001318598526 1067055769 /nfs/dbraw/zinc/05/57/69/1067055769.db2.gz MJTBOPPXNCPFBN-GOSISDBHSA-N 1 0 462.516 4.489 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1 ZINC001318620234 1067056639 /nfs/dbraw/zinc/05/66/39/1067056639.db2.gz KCNOVWKCKMFQRJ-UHFFFAOYSA-N 1 0 494.455 4.196 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1 ZINC001318702020 1067058278 /nfs/dbraw/zinc/05/82/78/1067058278.db2.gz GNIJSXBUSXALIA-UHFFFAOYSA-N 1 0 484.666 4.218 20 0 JIADRO Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)cc1 ZINC001318981817 1067063563 /nfs/dbraw/zinc/06/35/63/1067063563.db2.gz QFSGIGYOGHRFEF-UHFFFAOYSA-N 1 0 477.630 4.281 20 0 JIADRO CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001354752604 1067076728 /nfs/dbraw/zinc/07/67/28/1067076728.db2.gz WIUCZKYDQFVURA-BVAGGSTKSA-N 1 0 451.567 4.037 20 0 JIADRO Cc1cc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1N1CC[NH+](C)CC1 ZINC001319706540 1067077312 /nfs/dbraw/zinc/07/73/12/1067077312.db2.gz QAUOGKMFAKBOJX-LJQANCHMSA-N 1 0 486.458 4.157 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC001319706274 1067077474 /nfs/dbraw/zinc/07/74/74/1067077474.db2.gz CFMLTHDEELIQJO-UHFFFAOYSA-N 1 0 473.415 4.004 20 0 JIADRO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1 ZINC001472836153 1067086741 /nfs/dbraw/zinc/08/67/41/1067086741.db2.gz ZNSRJQNDLLKLID-FQEVSTJZSA-N 1 0 453.384 4.331 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001320704926 1067091322 /nfs/dbraw/zinc/09/13/22/1067091322.db2.gz HTROLOQCKMXKPY-UHFFFAOYSA-N 1 0 458.562 4.346 20 0 JIADRO CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[C@H]1c1ccccc1OC ZINC001321429134 1067127395 /nfs/dbraw/zinc/12/73/95/1067127395.db2.gz DBWTYULUWCPYMX-RBJSKKJNSA-N 1 0 492.664 4.474 20 0 JIADRO CO[C@@H](C[N@@H+]1CCC[C@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001474758259 1067141116 /nfs/dbraw/zinc/14/11/16/1067141116.db2.gz DJBGIYOJUALVSO-FPOVZHCZSA-N 1 0 454.652 4.482 20 0 JIADRO C[C@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001321505574 1067150073 /nfs/dbraw/zinc/15/00/73/1067150073.db2.gz CMRVIGJUNLXDMC-QFIPXVFZSA-N 1 0 485.632 4.247 20 0 JIADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)cc1C ZINC001321515654 1067153421 /nfs/dbraw/zinc/15/34/21/1067153421.db2.gz KRDWGVBVPHWPSA-UHFFFAOYSA-N 1 0 492.645 4.417 20 0 JIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001321551881 1067163552 /nfs/dbraw/zinc/16/35/52/1067163552.db2.gz XEPFUAHBWSTFQR-UHFFFAOYSA-N 1 0 495.627 4.289 20 0 JIADRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200798441 1067173591 /nfs/dbraw/zinc/17/35/91/1067173591.db2.gz BFXZLGSMOKLHSU-ZANVPECISA-N 1 0 451.203 4.074 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001321636166 1067185317 /nfs/dbraw/zinc/18/53/17/1067185317.db2.gz BVSOZUNGRLVODL-LJQANCHMSA-N 1 0 460.471 4.178 20 0 JIADRO CN(CCC[NH+]1CCCC1)C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200800686 1067196060 /nfs/dbraw/zinc/19/60/60/1067196060.db2.gz YCTVHMDWZBLQSB-UHFFFAOYSA-N 1 0 453.219 4.465 20 0 JIADRO CC[N@H+](C)C1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200801052 1067198603 /nfs/dbraw/zinc/19/86/03/1067198603.db2.gz DAQUDFYNULLZNM-UHFFFAOYSA-N 1 0 453.219 4.464 20 0 JIADRO COc1cccc([C@@H](CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)c1 ZINC001321692094 1067198618 /nfs/dbraw/zinc/19/86/18/1067198618.db2.gz WMKYNAVIAKLRSB-XNMGPUDCSA-N 1 0 473.621 4.454 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492578001 1067199122 /nfs/dbraw/zinc/19/91/22/1067199122.db2.gz TZXDBFDLLCBNFB-AZUAARDMSA-N 1 0 470.065 4.321 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001492577988 1067199888 /nfs/dbraw/zinc/19/98/88/1067199888.db2.gz SSYMLIUNSVJRNN-OAQYLSRUSA-N 1 0 461.658 4.459 20 0 JIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001351780712 1067203775 /nfs/dbraw/zinc/20/37/75/1067203775.db2.gz MRFHSINABIKUTL-QHCPKHFHSA-N 1 0 453.608 4.284 20 0 JIADRO CC[NH+](CC)[C@@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200801778 1067204487 /nfs/dbraw/zinc/20/44/87/1067204487.db2.gz PGDWGGZBOGEFFP-LLVKDONJSA-N 1 0 453.219 4.464 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(F)(F)c2cnc(Cl)c(C)c2)CC1 ZINC001351782655 1067204791 /nfs/dbraw/zinc/20/47/91/1067204791.db2.gz XBSQKYCLSMOOMW-OAHLLOKOSA-N 1 0 454.924 4.294 20 0 JIADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1 ZINC001321776918 1067209780 /nfs/dbraw/zinc/20/97/80/1067209780.db2.gz RKARSYBFVOREGX-UHFFFAOYSA-N 1 0 455.562 4.168 20 0 JIADRO Cc1cc(NC(=O)c2nc(C(C)C)ncc2OCc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC001351844944 1067221715 /nfs/dbraw/zinc/22/17/15/1067221715.db2.gz ZSQHKDQLNKXQPR-UHFFFAOYSA-N 1 0 459.594 4.492 20 0 JIADRO COC(=O)Nc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc(C(F)(F)F)c1 ZINC001351891798 1067233526 /nfs/dbraw/zinc/23/35/26/1067233526.db2.gz NUHCNIBDVMEFQH-UHFFFAOYSA-N 1 0 450.461 4.196 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC001322008623 1067239531 /nfs/dbraw/zinc/23/95/31/1067239531.db2.gz SDFLJZHXJHVDQB-UHFFFAOYSA-N 1 0 469.695 4.420 20 0 JIADRO COCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)CC1 ZINC001322020921 1067240072 /nfs/dbraw/zinc/24/00/72/1067240072.db2.gz FKHIXKGGVHSFIT-UHFFFAOYSA-N 1 0 452.986 4.342 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492550019 1067253185 /nfs/dbraw/zinc/25/31/85/1067253185.db2.gz VVZKFMFGLTVKSQ-FCHUYYIVSA-N 1 0 457.688 4.475 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152546 1067258251 /nfs/dbraw/zinc/25/82/51/1067258251.db2.gz ADANBIQQGXGXAZ-DFZDUAMZSA-N 1 0 461.606 4.185 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300749179 1067265442 /nfs/dbraw/zinc/26/54/42/1067265442.db2.gz PDPARDGSWHJZKZ-FDFHNCONSA-N 1 0 490.693 4.086 20 0 JIADRO COc1cc(OC)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(OC)c1 ZINC001354912332 1067276074 /nfs/dbraw/zinc/27/60/74/1067276074.db2.gz BOVLLYDVLGDHCT-FGZHOGPDSA-N 1 0 466.603 4.306 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001300754835 1067281359 /nfs/dbraw/zinc/28/13/59/1067281359.db2.gz NVDATDNEMQJDQL-ZRCGQRJVSA-N 1 0 459.610 4.437 20 0 JIADRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352079078 1067281924 /nfs/dbraw/zinc/28/19/24/1067281924.db2.gz FTUYQHPUHHFUFM-OAHLLOKOSA-N 1 0 451.792 4.434 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001300757243 1067286705 /nfs/dbraw/zinc/28/67/05/1067286705.db2.gz FPBKMFCXHFGEEZ-PMACEKPBSA-N 1 0 463.573 4.282 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300757908 1067289163 /nfs/dbraw/zinc/28/91/63/1067289163.db2.gz OGKLSTKUFWUTJG-FUHWJXTLSA-N 1 0 479.467 4.161 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300758030 1067289580 /nfs/dbraw/zinc/28/95/80/1067289580.db2.gz PATIFJZGIQDJQE-DBXWQHBBSA-N 1 0 463.573 4.282 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300758446 1067291016 /nfs/dbraw/zinc/29/10/16/1067291016.db2.gz SOQFURKXWKTNNA-IEBWSBKVSA-N 1 0 479.467 4.306 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300758866 1067293173 /nfs/dbraw/zinc/29/31/73/1067293173.db2.gz XRXFZYVHDOYBLP-IEBWSBKVSA-N 1 0 479.467 4.019 20 0 JIADRO CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CC2)cc1 ZINC001352142016 1067298660 /nfs/dbraw/zinc/29/86/60/1067298660.db2.gz MMLVZQFLGAZXRH-UHFFFAOYSA-N 1 0 455.602 4.479 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC001200823347 1067299497 /nfs/dbraw/zinc/29/94/97/1067299497.db2.gz ZPHVREHTRSIBJK-OXQOHEQNSA-N 1 0 450.630 4.104 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC001200823345 1067299625 /nfs/dbraw/zinc/29/96/25/1067299625.db2.gz ZPHVREHTRSIBJK-JXFKEZNVSA-N 1 0 450.630 4.104 20 0 JIADRO COc1ccc([C@@H](CNC(=O)COC(=O)c2cc(C)nc3cc(F)ccc32)[NH+]2CCCCC2)cc1 ZINC001322770544 1067308714 /nfs/dbraw/zinc/30/87/14/1067308714.db2.gz XHCNQUCYEXVJHK-RUZDIDTESA-N 1 0 479.552 4.191 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1ccccc1 ZINC001354969786 1067310445 /nfs/dbraw/zinc/31/04/45/1067310445.db2.gz CVUMPTHNMWIHFZ-FQEVSTJZSA-N 1 0 459.377 4.352 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC001322874096 1067310702 /nfs/dbraw/zinc/31/07/02/1067310702.db2.gz BGMHMAKNBUDBOY-UHFFFAOYSA-N 1 0 455.990 4.152 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001322970812 1067312126 /nfs/dbraw/zinc/31/21/26/1067312126.db2.gz APNDWNWXJDZKRU-UHFFFAOYSA-N 1 0 472.362 4.086 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2)n1 ZINC001322986419 1067312644 /nfs/dbraw/zinc/31/26/44/1067312644.db2.gz PFUCDAKACBRPHH-FQEVSTJZSA-N 1 0 453.568 4.069 20 0 JIADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCOc2cccc(C)c2)n1 ZINC001492552195 1067315146 /nfs/dbraw/zinc/31/51/46/1067315146.db2.gz WTOOSEYBKALYSQ-UHFFFAOYSA-N 1 0 479.673 4.084 20 0 JIADRO CCn1c2ccccc2c2cc(CN(C)C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)ccc21 ZINC001323179755 1067315653 /nfs/dbraw/zinc/31/56/53/1067315653.db2.gz JWTFAGPQQVXWBR-UHFFFAOYSA-N 1 0 470.621 4.303 20 0 JIADRO CN(CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001352267703 1067320704 /nfs/dbraw/zinc/32/07/04/1067320704.db2.gz APTXTJDVQYCSDA-FQEVSTJZSA-N 1 0 457.571 4.092 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300773971 1067326842 /nfs/dbraw/zinc/32/68/42/1067326842.db2.gz VJYHCFZHARVAGE-UPVQGACJSA-N 1 0 455.647 4.149 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300777207 1067330812 /nfs/dbraw/zinc/33/08/12/1067330812.db2.gz XXJNEJVZMLUTJA-JOCHJYFZSA-N 1 0 460.692 4.007 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC001300000298 1067335473 /nfs/dbraw/zinc/33/54/73/1067335473.db2.gz AWJZJYRYSRYYLI-UHFFFAOYSA-N 1 0 455.525 4.083 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300000908 1067337577 /nfs/dbraw/zinc/33/75/77/1067337577.db2.gz OENAUKDTMARUBN-QHCPKHFHSA-N 1 0 479.654 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001300782272 1067338758 /nfs/dbraw/zinc/33/87/58/1067338758.db2.gz KEDQWKANXUMBMQ-ROUUACIJSA-N 1 0 493.599 4.050 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001300782633 1067340142 /nfs/dbraw/zinc/34/01/42/1067340142.db2.gz OVTDOACBWRPURU-LJQANCHMSA-N 1 0 480.028 4.242 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300782894 1067340559 /nfs/dbraw/zinc/34/05/59/1067340559.db2.gz SRJCHTJQODNYKX-RBUKOAKNSA-N 1 0 491.677 4.388 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300002068 1067342192 /nfs/dbraw/zinc/34/21/92/1067342192.db2.gz ZTYPYOWUOQRLTR-SFHVURJKSA-N 1 0 482.610 4.260 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300002203 1067342437 /nfs/dbraw/zinc/34/24/37/1067342437.db2.gz LAPVWSAMEQCYPZ-IBGZPJMESA-N 1 0 453.587 4.456 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001300784792 1067344581 /nfs/dbraw/zinc/34/45/81/1067344581.db2.gz GHINNGJBHROCBP-UHFFFAOYSA-N 1 0 461.601 4.082 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001300786501 1067348924 /nfs/dbraw/zinc/34/89/24/1067348924.db2.gz NHZRVXYHTULUFG-JOCHJYFZSA-N 1 0 476.065 4.351 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C(=O)NC(C)C)nnc3N3CC=C(C(C)(C)C)CC3)CCCC2)CC1 ZINC001300786474 1067349005 /nfs/dbraw/zinc/34/90/05/1067349005.db2.gz MXXGEWQGXSTKHY-UHFFFAOYSA-N 1 0 486.705 4.023 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H]2C)CC1 ZINC001300787452 1067351149 /nfs/dbraw/zinc/35/11/49/1067351149.db2.gz UIMUDZRKIPJDSP-CTNGQTDRSA-N 1 0 490.693 4.228 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001300787449 1067351197 /nfs/dbraw/zinc/35/11/97/1067351197.db2.gz UIAOOMNFTWTXCO-OAQYLSRUSA-N 1 0 487.714 4.241 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001300787505 1067351260 /nfs/dbraw/zinc/35/12/60/1067351260.db2.gz USTGPXXKZGRELC-UHFFFAOYSA-N 1 0 473.637 4.239 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001300787610 1067352035 /nfs/dbraw/zinc/35/20/35/1067352035.db2.gz XTWHMQCIAYYDJA-UHFFFAOYSA-N 1 0 483.701 4.242 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300005128 1067352062 /nfs/dbraw/zinc/35/20/62/1067352062.db2.gz BPISENYKYARXEL-GOSISDBHSA-N 1 0 495.653 4.277 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001300787743 1067352346 /nfs/dbraw/zinc/35/23/46/1067352346.db2.gz YHIWJAMZCOVWLJ-UHFFFAOYSA-N 1 0 460.692 4.150 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001300787758 1067352593 /nfs/dbraw/zinc/35/25/93/1067352593.db2.gz YSBMUNAOXWLKDU-HSZRJFAPSA-N 1 0 490.092 4.273 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C[NH+](C)C ZINC001492553964 1067352722 /nfs/dbraw/zinc/35/27/22/1067352722.db2.gz NSIJUFLAKDGUIC-FQEVSTJZSA-N 1 0 497.713 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300005811 1067353189 /nfs/dbraw/zinc/35/31/89/1067353189.db2.gz JDPPSMWAOJMMNP-BVZFJXPGSA-N 1 0 452.603 4.397 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300007035 1067356748 /nfs/dbraw/zinc/35/67/48/1067356748.db2.gz WZEVMJZNEBRMQK-IQGLISFBSA-N 1 0 486.064 4.488 20 0 JIADRO Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)ccc2c[nH+]cn21 ZINC001352369688 1067359512 /nfs/dbraw/zinc/35/95/12/1067359512.db2.gz VSTZZHJCUYDBQO-UHFFFAOYSA-N 1 0 450.296 4.305 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001300009357 1067360274 /nfs/dbraw/zinc/36/02/74/1067360274.db2.gz QLIQEVPRXIWHLI-UHFFFAOYSA-N 1 0 471.646 4.088 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC[C@H]1C ZINC001300792298 1067362999 /nfs/dbraw/zinc/36/29/99/1067362999.db2.gz VOSNBLULZKTUEC-XZDHIHRUSA-N 1 0 482.673 4.130 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300013946 1067370018 /nfs/dbraw/zinc/37/00/18/1067370018.db2.gz VNRBSRWGJJMJHI-FQEVSTJZSA-N 1 0 473.662 4.334 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC2CCC([NH+]3CCCCC3)CC2)(c2ccccc2)C1 ZINC001355085711 1067371697 /nfs/dbraw/zinc/37/16/97/1067371697.db2.gz WWLPDMAFWDFNOG-GMKWRKAISA-N 1 0 455.643 4.479 20 0 JIADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001355085440 1067371854 /nfs/dbraw/zinc/37/18/54/1067371854.db2.gz UWTMABOGRONMEE-XEVCZEQESA-N 1 0 452.686 4.264 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001492554965 1067372809 /nfs/dbraw/zinc/37/28/09/1067372809.db2.gz ZRUGRZFYBWTJCQ-VJBWXMMDSA-N 1 0 487.714 4.341 20 0 JIADRO CC1(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001355137474 1067378988 /nfs/dbraw/zinc/37/89/88/1067378988.db2.gz ACDRAHGRRMUADL-HXUWFJFHSA-N 1 0 459.512 4.229 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300020113 1067383808 /nfs/dbraw/zinc/38/38/08/1067383808.db2.gz ZJMVYLITCIUZID-UXHICEINSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]([N@@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CCCC(C)(C)C)cc1 ZINC001300021169 1067385491 /nfs/dbraw/zinc/38/54/91/1067385491.db2.gz BYOLZJHKNUSQKG-OFVILXPXSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001300021760 1067386272 /nfs/dbraw/zinc/38/62/72/1067386272.db2.gz JSQFBWKZVWLZJP-QTEQDKRBSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300022048 1067387066 /nfs/dbraw/zinc/38/70/66/1067387066.db2.gz PKOPMDOVNWNQNJ-HZPDHXFCSA-N 1 0 450.425 4.149 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300023028 1067390865 /nfs/dbraw/zinc/39/08/65/1067390865.db2.gz BKPGCLVNNVTEOV-RTBURBONSA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300026474 1067398170 /nfs/dbraw/zinc/39/81/70/1067398170.db2.gz AXQKHAANVBDFHT-BGYRXZFFSA-N 1 0 469.630 4.007 20 0 JIADRO CCC(CC)N1C[C@H](C(=O)N(CC[NH+](CC)CC)c2cccc(Br)c2)CC1=O ZINC001355376241 1067437716 /nfs/dbraw/zinc/43/77/16/1067437716.db2.gz PZOXGWIXTFVMRC-QGZVFWFLSA-N 1 0 452.437 4.161 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300036040 1067443794 /nfs/dbraw/zinc/44/37/94/1067443794.db2.gz JFZKHPJDROBVPX-QZTJIDSGSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300036928 1067447086 /nfs/dbraw/zinc/44/70/86/1067447086.db2.gz VIDGWVHGXICNSR-HZPDHXFCSA-N 1 0 462.436 4.435 20 0 JIADRO CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001355396172 1067447474 /nfs/dbraw/zinc/44/74/74/1067447474.db2.gz LRFYVTIARYOONQ-UHFFFAOYSA-N 1 0 451.677 4.267 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300041347 1067468866 /nfs/dbraw/zinc/46/88/66/1067468866.db2.gz DMMKXPMLJGRINQ-ROUUACIJSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(C)(C)SC)c(OC)c1 ZINC001300041295 1067469071 /nfs/dbraw/zinc/46/90/71/1067469071.db2.gz CIYIHNGSJKJPNM-SFHVURJKSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CCCC(C)C)c(OC)c1 ZINC001300043258 1067482146 /nfs/dbraw/zinc/48/21/46/1067482146.db2.gz DALZTIQFMSHSDO-UHFFFAOYSA-N 1 0 498.716 4.393 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1OC ZINC001300043654 1067483105 /nfs/dbraw/zinc/48/31/05/1067483105.db2.gz HRGIYQHWVAPRJM-QGZVFWFLSA-N 1 0 463.573 4.365 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300044172 1067487648 /nfs/dbraw/zinc/48/76/48/1067487648.db2.gz NXVKSICITJURBP-JOCHJYFZSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001300045754 1067495047 /nfs/dbraw/zinc/49/50/47/1067495047.db2.gz PVBFPMNUYAXNRE-SNCIUUNGSA-N 1 0 485.673 4.477 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001300049208 1067504899 /nfs/dbraw/zinc/50/48/99/1067504899.db2.gz HYCDTJVMCQZIRT-QFIPXVFZSA-N 1 0 485.673 4.070 20 0 JIADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355568630 1067512678 /nfs/dbraw/zinc/51/26/78/1067512678.db2.gz XYFCJSUCZOACBS-KRWDZBQOSA-N 1 0 455.412 4.166 20 0 JIADRO C[NH+]1CCC(N(C(=O)c2cc(F)c(F)cc2I)c2ccccc2)CC1 ZINC001355576134 1067514097 /nfs/dbraw/zinc/51/40/97/1067514097.db2.gz GSWHUJLZBIOMQL-UHFFFAOYSA-N 1 0 456.274 4.310 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300051396 1067515499 /nfs/dbraw/zinc/51/54/99/1067515499.db2.gz ZQGGPXBUBNKWDZ-KRWDZBQOSA-N 1 0 495.640 4.271 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001355579329 1067516404 /nfs/dbraw/zinc/51/64/04/1067516404.db2.gz DEZNAQDMQVVELL-WOJBJXKFSA-N 1 0 452.595 4.294 20 0 JIADRO C[NH+]1CCN(C[C@H](NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c2ccccc2)CC1 ZINC001352554473 1067521137 /nfs/dbraw/zinc/52/11/37/1067521137.db2.gz NCPZCTKDOVUOCO-DEOSSOPVSA-N 1 0 451.517 4.476 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCN(C)CC(F)(F)F ZINC001492582711 1067530097 /nfs/dbraw/zinc/53/00/97/1067530097.db2.gz QLEZWLLBKXORRK-JOCHJYFZSA-N 1 0 478.607 4.126 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492582864 1067534173 /nfs/dbraw/zinc/53/41/73/1067534173.db2.gz WBPYMNXULKVGAP-SANMLTNESA-N 1 0 494.728 4.429 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSCC(C)C)c(OC)c1 ZINC001300057626 1067547441 /nfs/dbraw/zinc/54/74/41/1067547441.db2.gz VXOWZEZFLAZNGF-HXUWFJFHSA-N 1 0 473.687 4.416 20 0 JIADRO COC(=O)N1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)CC1 ZINC001355670672 1067547623 /nfs/dbraw/zinc/54/76/23/1067547623.db2.gz YGKWCSVDPHTHAM-HXUWFJFHSA-N 1 0 458.430 4.387 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300058635 1067550663 /nfs/dbraw/zinc/55/06/63/1067550663.db2.gz FOJNKMNAVVHZGB-MZKRTTBSSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300059147 1067553845 /nfs/dbraw/zinc/55/38/45/1067553845.db2.gz JAHRIYKXMLMYNW-VSKRKVRLSA-N 1 0 471.646 4.086 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ncccc3OCC(F)(F)F)cc2Cl)CC1 ZINC001355716205 1067560353 /nfs/dbraw/zinc/56/03/53/1067560353.db2.gz NWWUYFABKSZBFB-UHFFFAOYSA-N 1 0 456.896 4.460 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001300061938 1067567494 /nfs/dbraw/zinc/56/74/94/1067567494.db2.gz SJIWPBNLVBFGSC-UHFFFAOYSA-N 1 0 452.603 4.208 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3Cc3cccs3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001300065856 1067579341 /nfs/dbraw/zinc/57/93/41/1067579341.db2.gz VSFWZUZZHVSXGW-IEBWSBKVSA-N 1 0 455.628 4.185 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC001355792611 1067581826 /nfs/dbraw/zinc/58/18/26/1067581826.db2.gz KWGIKQFDURZAFL-HXUWFJFHSA-N 1 0 454.489 4.431 20 0 JIADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001200088152 1067583066 /nfs/dbraw/zinc/58/30/66/1067583066.db2.gz KRJJMPLUMOSLEB-UHFFFAOYSA-N 1 0 451.945 4.443 20 0 JIADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC001355867955 1067594582 /nfs/dbraw/zinc/59/45/82/1067594582.db2.gz KVWRRTSNVOGLDU-DYVFJYSZSA-N 1 0 450.402 4.138 20 0 JIADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC001355867958 1067595152 /nfs/dbraw/zinc/59/51/52/1067595152.db2.gz KVWRRTSNVOGLDU-GUYCJALGSA-N 1 0 450.402 4.138 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001300075453 1067600757 /nfs/dbraw/zinc/60/07/57/1067600757.db2.gz MAVPQAUWTXSWFD-UHFFFAOYSA-N 1 0 494.606 4.294 20 0 JIADRO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)C2=O ZINC001355898119 1067601645 /nfs/dbraw/zinc/60/16/45/1067601645.db2.gz QZLSKHFLJFKKLS-UYXZNNOOSA-N 1 0 454.615 4.136 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCC2(C)C)c(OC)c1 ZINC001300075975 1067602340 /nfs/dbraw/zinc/60/23/40/1067602340.db2.gz LGKUXIVFWNICNA-NRFANRHFSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001300076713 1067605042 /nfs/dbraw/zinc/60/50/42/1067605042.db2.gz XLQSMFWBNRZWQM-SFTDATJTSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300077669 1067608108 /nfs/dbraw/zinc/60/81/08/1067608108.db2.gz XIJXZUCOFVVTSK-YKSBVNFPSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300084813 1067625556 /nfs/dbraw/zinc/62/55/56/1067625556.db2.gz CTAMCMJNGZHPOE-AUSIDOKSSA-N 1 0 485.654 4.436 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001356024364 1067637459 /nfs/dbraw/zinc/63/74/59/1067637459.db2.gz KLQMAMKBCRUDHK-JRAXSAEOSA-N 1 0 477.649 4.101 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300090545 1067646510 /nfs/dbraw/zinc/64/65/10/1067646510.db2.gz WHMGMZOQOWWSBK-UTKZUKDTSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300090921 1067647991 /nfs/dbraw/zinc/64/79/91/1067647991.db2.gz ZYKOJDBMYFZQHX-NLWGTHIKSA-N 1 0 461.676 4.269 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C3CCCCC3)C2)cc1 ZINC001300096517 1067661337 /nfs/dbraw/zinc/66/13/37/1067661337.db2.gz KIELNUYMTILFDK-QFIPXVFZSA-N 1 0 482.673 4.073 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300097402 1067663738 /nfs/dbraw/zinc/66/37/38/1067663738.db2.gz BIVKRXJMCSWIQK-YADHBBJMSA-N 1 0 457.619 4.219 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300100964 1067676245 /nfs/dbraw/zinc/67/62/45/1067676245.db2.gz ZKBSPRWKZVBLJM-JOCHJYFZSA-N 1 0 496.700 4.102 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC001300100905 1067676481 /nfs/dbraw/zinc/67/64/81/1067676481.db2.gz YPHKXBXAPIZSPO-MQSCRBSSSA-N 1 0 469.674 4.369 20 0 JIADRO COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)o1 ZINC001356170365 1067681503 /nfs/dbraw/zinc/68/15/03/1067681503.db2.gz MUMSKPVHWLSXIP-ACCUITESSA-N 1 0 459.546 4.349 20 0 JIADRO CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC[C@@]34CC[N@H+](C3)CCC4)cs2)cc1 ZINC001300104025 1067685887 /nfs/dbraw/zinc/68/58/87/1067685887.db2.gz NFAHQNROWBJBIL-XMMPIXPASA-N 1 0 456.612 4.297 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)cc2Cl)CC1 ZINC001356208323 1067692119 /nfs/dbraw/zinc/69/21/19/1067692119.db2.gz NZUIKHOMNMVMCB-UHFFFAOYSA-N 1 0 451.011 4.115 20 0 JIADRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc2O1 ZINC001356229973 1067700146 /nfs/dbraw/zinc/70/01/46/1067700146.db2.gz TXFYZBDWOQZVKR-LJQANCHMSA-N 1 0 457.983 4.274 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300108084 1067702436 /nfs/dbraw/zinc/70/24/36/1067702436.db2.gz ZPGIHLQHRVWRMC-KBMIEXCESA-N 1 0 469.655 4.300 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(-c4ccc(C)nn4)cc3)CC2)c1C ZINC001352780618 1067716733 /nfs/dbraw/zinc/71/67/33/1067716733.db2.gz NZCVOKUEEWJOJZ-UHFFFAOYSA-N 1 0 459.594 4.209 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300113652 1067718928 /nfs/dbraw/zinc/71/89/28/1067718928.db2.gz LMTYIQCKHSXLRV-WOJBJXKFSA-N 1 0 457.688 4.277 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300113963 1067720077 /nfs/dbraw/zinc/72/00/77/1067720077.db2.gz NXEYJBMVZZTYSQ-XXBNENTESA-N 1 0 483.682 4.440 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327156 1067724990 /nfs/dbraw/zinc/72/49/90/1067724990.db2.gz DEXASMMRLXOYGX-JSGCOSHPSA-N 1 0 456.274 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300122756 1067742132 /nfs/dbraw/zinc/74/21/32/1067742132.db2.gz JBUABMKJOKGXDD-VXKWHMMOSA-N 1 0 469.674 4.196 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300126270 1067753250 /nfs/dbraw/zinc/75/32/50/1067753250.db2.gz QXSAPUPFTPIPSF-NOZRDPDXSA-N 1 0 483.701 4.444 20 0 JIADRO O=C(NCc1csc(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001356474137 1067759730 /nfs/dbraw/zinc/75/97/30/1067759730.db2.gz HJQICHPLRBMRLJ-VQTJNVASSA-N 1 0 456.409 4.438 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001356475482 1067760131 /nfs/dbraw/zinc/76/01/31/1067760131.db2.gz RGGCTIXHCNVIII-ZRJLEYOISA-N 1 0 467.629 4.110 20 0 JIADRO CCn1c(SCC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493817 1067764161 /nfs/dbraw/zinc/76/41/61/1067764161.db2.gz COELTFMKVWEDAN-QUCCMNQESA-N 1 0 453.612 4.067 20 0 JIADRO C[C@@H]1C[C@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503060 1067765872 /nfs/dbraw/zinc/76/58/72/1067765872.db2.gz RJCIIIGOSFQNKF-AEFFLSMTSA-N 1 0 454.514 4.011 20 0 JIADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1ccc(I)cc1 ZINC001352857455 1067767660 /nfs/dbraw/zinc/76/76/60/1067767660.db2.gz AXZLZROYANERPS-HNNXBMFYSA-N 1 0 454.327 4.124 20 0 JIADRO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1=O ZINC001352869195 1067775769 /nfs/dbraw/zinc/77/57/69/1067775769.db2.gz QIPVNUUDJBPNJE-UYAOXDASSA-N 1 0 457.565 4.422 20 0 JIADRO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1=O ZINC001352869193 1067775931 /nfs/dbraw/zinc/77/59/31/1067775931.db2.gz QIPVNUUDJBPNJE-QUCCMNQESA-N 1 0 457.565 4.422 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cnc(-c3cccnc3)s2)ccc1Cl ZINC001356553874 1067776476 /nfs/dbraw/zinc/77/64/76/1067776476.db2.gz GWNKALRQCROTLE-UHFFFAOYSA-N 1 0 457.987 4.182 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2OC)ccc1Cl ZINC001356556301 1067778022 /nfs/dbraw/zinc/77/80/22/1067778022.db2.gz XTCSETNNZAYYNK-UHFFFAOYSA-N 1 0 452.382 4.255 20 0 JIADRO CC1CC[NH+](CCc2cccc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)c2)CC1 ZINC001356604340 1067787994 /nfs/dbraw/zinc/78/79/94/1067787994.db2.gz MUXFHOZSUHLUCW-QHCPKHFHSA-N 1 0 459.631 4.316 20 0 JIADRO COc1ccc([C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000849057641 1067788533 /nfs/dbraw/zinc/78/85/33/1067788533.db2.gz RGTAVQUTZZVMGP-FOIQADDNSA-N 1 0 481.424 4.259 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000849059272 1067789433 /nfs/dbraw/zinc/78/94/33/1067789433.db2.gz OBPUZNIWQMUORT-MAUKXSAKSA-N 1 0 479.408 4.043 20 0 JIADRO COc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001300142312 1067792990 /nfs/dbraw/zinc/79/29/90/1067792990.db2.gz JJEYSHDVGXMEQR-UHFFFAOYSA-N 1 0 485.032 4.174 20 0 JIADRO CSc1nnc(CCCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1C1CCCC1 ZINC000849070137 1067796313 /nfs/dbraw/zinc/79/63/13/1067796313.db2.gz HQUWFLROCGVAPC-UHFFFAOYSA-N 1 0 462.067 4.048 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001492584507 1067798657 /nfs/dbraw/zinc/79/86/57/1067798657.db2.gz MHKXQYAOADZCGB-JOCHJYFZSA-N 1 0 457.688 4.010 20 0 JIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)C[C@H](C)O1 ZINC000481532410 1067802879 /nfs/dbraw/zinc/80/28/79/1067802879.db2.gz JLCNRIHVYIAYDS-GASCZTMLSA-N 1 0 450.008 4.212 20 0 JIADRO C[N@H+](CCN1CCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1)Cc1ccccc1 ZINC001200175473 1067809969 /nfs/dbraw/zinc/80/99/69/1067809969.db2.gz VTODZRSADNYUGP-UHFFFAOYSA-N 1 0 456.034 4.222 20 0 JIADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001352940704 1067811859 /nfs/dbraw/zinc/81/18/59/1067811859.db2.gz LUSDCOSFUFAVLZ-YADHBBJMSA-N 1 0 454.571 4.031 20 0 JIADRO COc1ccc(CCn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)c(OC)c1OC ZINC001300158275 1067814438 /nfs/dbraw/zinc/81/44/38/1067814438.db2.gz PZJRFWXUERQUAK-UHFFFAOYSA-N 1 0 473.662 4.155 20 0 JIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300161880 1067816813 /nfs/dbraw/zinc/81/68/13/1067816813.db2.gz BFYBUYBLMOKUHO-HDICACEKSA-N 1 0 455.002 4.432 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCCC2)cc1F ZINC001300162317 1067817428 /nfs/dbraw/zinc/81/74/28/1067817428.db2.gz JHNZLYKBYVLMFU-UHFFFAOYSA-N 1 0 452.578 4.389 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC001300162939 1067819068 /nfs/dbraw/zinc/81/90/68/1067819068.db2.gz VPBMIKIWOQNBSE-LJQANCHMSA-N 1 0 485.032 4.465 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300163265 1067819843 /nfs/dbraw/zinc/81/98/43/1067819843.db2.gz ZMTOWZRTWLXEQS-HXUWFJFHSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1O ZINC001300163983 1067821066 /nfs/dbraw/zinc/82/10/66/1067821066.db2.gz FOXNWDKFOPRXKR-RTBURBONSA-N 1 0 466.630 4.380 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300164461 1067821849 /nfs/dbraw/zinc/82/18/49/1067821849.db2.gz PEVVEHPZISYUPL-HXUWFJFHSA-N 1 0 464.614 4.258 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCCC2)cc1F ZINC001300165870 1067824189 /nfs/dbraw/zinc/82/41/89/1067824189.db2.gz IDHPRFGURUAKMN-UHFFFAOYSA-N 1 0 452.578 4.307 20 0 JIADRO CC(C)(C)Sc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccn1 ZINC001357255868 1067825986 /nfs/dbraw/zinc/82/59/86/1067825986.db2.gz ZTPJAPYBYFPNLA-FQEVSTJZSA-N 1 0 453.656 4.042 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300167479 1067826134 /nfs/dbraw/zinc/82/61/34/1067826134.db2.gz YBTGMETVYWVKQY-PMACEKPBSA-N 1 0 493.656 4.145 20 0 JIADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC001200192831 1067826423 /nfs/dbraw/zinc/82/64/23/1067826423.db2.gz HRGVGUPOFVOPCA-UHFFFAOYSA-N 1 0 452.283 4.059 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC001300172133 1067831478 /nfs/dbraw/zinc/83/14/78/1067831478.db2.gz FUVDYHWFJWWFOC-IBGZPJMESA-N 1 0 461.626 4.152 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCCC2)cc1OC(F)F ZINC001300173623 1067833171 /nfs/dbraw/zinc/83/31/71/1067833171.db2.gz MCIPRUNUAVKWSL-HXUWFJFHSA-N 1 0 493.599 4.295 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC001300176106 1067835365 /nfs/dbraw/zinc/83/53/65/1067835365.db2.gz HGGWYAXQPSMUIO-NRFANRHFSA-N 1 0 462.642 4.339 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300176265 1067835905 /nfs/dbraw/zinc/83/59/05/1067835905.db2.gz NDEOEFUXNCOPHG-ZBLYBZFDSA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176469 1067836571 /nfs/dbraw/zinc/83/65/71/1067836571.db2.gz UQZKOVFTKABGCP-RTWAWAEBSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001300177817 1067838791 /nfs/dbraw/zinc/83/87/91/1067838791.db2.gz VTQKFBWUCMQBKG-GOSISDBHSA-N 1 0 468.671 4.319 20 0 JIADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC001200203882 1067839417 /nfs/dbraw/zinc/83/94/17/1067839417.db2.gz IHXCBCWUHZCHKX-JXMROGBWSA-N 1 0 451.611 4.421 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)cc1F ZINC001300179750 1067842672 /nfs/dbraw/zinc/84/26/72/1067842672.db2.gz YIUXKMOUAYBIMG-DENIHFKCSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001300191211 1067853973 /nfs/dbraw/zinc/85/39/73/1067853973.db2.gz ACZQFXFHDVPAAW-UHFFFAOYSA-N 1 0 485.430 4.126 20 0 JIADRO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357488817 1067858014 /nfs/dbraw/zinc/85/80/14/1067858014.db2.gz QPSNVMUNPGOVDR-YFXJRYMSSA-N 1 0 451.517 4.159 20 0 JIADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001473291575 1067875109 /nfs/dbraw/zinc/87/51/09/1067875109.db2.gz HFEGGURAXWCBCU-ZJOUEHCJSA-N 1 0 456.327 4.055 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001357599596 1067876046 /nfs/dbraw/zinc/87/60/46/1067876046.db2.gz QOCZPCWPUWUAKZ-ZRBLBEILSA-N 1 0 475.630 4.087 20 0 JIADRO COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC001300208381 1067880144 /nfs/dbraw/zinc/88/01/44/1067880144.db2.gz QGMPAGMGOHNHGA-OAQYLSRUSA-N 1 0 492.462 4.306 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4F)no3)cc2)C1 ZINC001357645645 1067881851 /nfs/dbraw/zinc/88/18/51/1067881851.db2.gz PVWMJWVUPJPZNR-OAHLLOKOSA-N 1 0 456.905 4.084 20 0 JIADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001357649742 1067882129 /nfs/dbraw/zinc/88/21/29/1067882129.db2.gz WEXSWVPGMKPFCP-CQSZACIVSA-N 1 0 450.352 4.296 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c(OC)n1 ZINC001300212928 1067883103 /nfs/dbraw/zinc/88/31/03/1067883103.db2.gz JGULRHBEYZBCHL-UHFFFAOYSA-N 1 0 470.662 4.030 20 0 JIADRO COC(=O)COc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001357671632 1067884829 /nfs/dbraw/zinc/88/48/29/1067884829.db2.gz CAXXWYXCUVPYGS-LEAFIULHSA-N 1 0 458.558 4.267 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1Cl ZINC001300215584 1067885623 /nfs/dbraw/zinc/88/56/23/1067885623.db2.gz CYTWVGMPOZVGGX-NHCUHLMSSA-N 1 0 489.108 4.182 20 0 JIADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357730044 1067891892 /nfs/dbraw/zinc/89/18/92/1067891892.db2.gz NMOVMVUGLFYDHF-CQSZACIVSA-N 1 0 456.274 4.420 20 0 JIADRO C[C@H](NC(=O)c1cc(F)ccc1I)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357780034 1067898679 /nfs/dbraw/zinc/89/86/79/1067898679.db2.gz JBZGGCYPNFRNEA-HOCLYGCPSA-N 1 0 452.311 4.071 20 0 JIADRO CC[C@@H](C)CNC(=S)Nc1cc(-c2cccc(CN3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200270528 1067919850 /nfs/dbraw/zinc/91/98/50/1067919850.db2.gz XBOKSCRFTGXNFS-JOCHJYFZSA-N 1 0 495.737 4.270 20 0 JIADRO COc1ccc(COCCn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300234149 1067923036 /nfs/dbraw/zinc/92/30/36/1067923036.db2.gz BGKVKYLGZGCDKL-UHFFFAOYSA-N 1 0 478.641 4.185 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)cc1 ZINC001357862086 1067923942 /nfs/dbraw/zinc/92/39/42/1067923942.db2.gz JTZPMMZRKPOANV-UHFFFAOYSA-N 1 0 453.974 4.158 20 0 JIADRO CN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC001357903952 1067936004 /nfs/dbraw/zinc/93/60/04/1067936004.db2.gz CZLROYWTGVOXDB-LADGPHEKSA-N 1 0 455.002 4.029 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300238078 1067937889 /nfs/dbraw/zinc/93/78/89/1067937889.db2.gz YFFBDFWBPWZLRR-WOJBJXKFSA-N 1 0 476.065 4.448 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300238250 1067938862 /nfs/dbraw/zinc/93/88/62/1067938862.db2.gz DCTPVJJJSSMYRH-BGYRXZFFSA-N 1 0 475.081 4.107 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492560484 1067953229 /nfs/dbraw/zinc/95/32/29/1067953229.db2.gz KSGRWUKIUNEUOE-RBBKRZOGSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492560486 1067953505 /nfs/dbraw/zinc/95/35/05/1067953505.db2.gz KSGRWUKIUNEUOE-UNMCSNQZSA-N 1 0 482.673 4.477 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492560612 1067955622 /nfs/dbraw/zinc/95/56/22/1067955622.db2.gz ZRMYPWWYXHNMHH-IFMALSPDSA-N 1 0 466.674 4.117 20 0 JIADRO COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)COC1CC[NH+](C)CC1 ZINC001357985957 1067971498 /nfs/dbraw/zinc/97/14/98/1067971498.db2.gz XELFQZCIHJBERP-UHFFFAOYSA-N 1 0 450.457 4.208 20 0 JIADRO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001358003606 1067981060 /nfs/dbraw/zinc/98/10/60/1067981060.db2.gz FZDJLHJYKHAWSE-RBZOQEBVSA-N 1 0 458.046 4.459 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001300250513 1067999373 /nfs/dbraw/zinc/99/93/73/1067999373.db2.gz AUFMBYVNOWXRED-XPWALMASSA-N 1 0 498.716 4.047 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)cc2)C1 ZINC001358072587 1068009813 /nfs/dbraw/zinc/00/98/13/1068009813.db2.gz OCHOLQGGAXELHQ-INIZCTEOSA-N 1 0 455.427 4.290 20 0 JIADRO 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COc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H](C)c2ncc(C)s2)c1 ZINC001300389771 1068502386 /nfs/dbraw/zinc/50/23/86/1068502386.db2.gz QUIVDYVNIFZZJX-IBGZPJMESA-N 1 0 484.670 4.069 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001300390336 1068505449 /nfs/dbraw/zinc/50/54/49/1068505449.db2.gz VQVQDHKYYYRXNS-IBGZPJMESA-N 1 0 486.661 4.035 20 0 JIADRO Cc1ccc(N2c3ccc(NC(=S)NCC[NH+]4CCCCC4)cc3C3(CCOCC3)C2=O)cc1 ZINC001200430068 1068513397 /nfs/dbraw/zinc/51/33/97/1068513397.db2.gz GBLALMSUJGDKLF-UHFFFAOYSA-N 1 0 478.662 4.494 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001300395379 1068530140 /nfs/dbraw/zinc/53/01/40/1068530140.db2.gz MHWCMYWTGOGGJR-RUZDIDTESA-N 1 0 455.647 4.470 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC(=S)NCC[NH+]3CCCCC3)cc2F)CC1 ZINC001200433860 1068532849 /nfs/dbraw/zinc/53/28/49/1068532849.db2.gz UXTBVRRSJOOYHX-UHFFFAOYSA-N 1 0 480.650 4.376 20 0 JIADRO CCOC(=O)c1cc(Br)cc(Br)c1NC(=S)NCC[NH+]1CCCCC1 ZINC001200433866 1068533668 /nfs/dbraw/zinc/53/36/68/1068533668.db2.gz NUMMJOLZRJHFGZ-UHFFFAOYSA-N 1 0 493.265 4.161 20 0 JIADRO COc1cccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300397876 1068539925 /nfs/dbraw/zinc/53/99/25/1068539925.db2.gz XBYWAEDVRNCIDZ-HSZRJFAPSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(-c3ccc(Cl)nc3)n2CCOCC[NH+](C)C)c1 ZINC001300399646 1068551318 /nfs/dbraw/zinc/55/13/18/1068551318.db2.gz IDVLYSVASORCPV-XMSQKQJNSA-N 1 0 485.032 4.168 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC001300406553 1068573404 /nfs/dbraw/zinc/57/34/04/1068573404.db2.gz FGKYCDIAMMLMOT-JOCHJYFZSA-N 1 0 494.684 4.373 20 0 JIADRO C[C@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001353844560 1068654138 /nfs/dbraw/zinc/65/41/38/1068654138.db2.gz IWVJXJBMDAUAJA-LAUBAEHRSA-N 1 0 454.571 4.479 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001353856889 1068673788 /nfs/dbraw/zinc/67/37/88/1068673788.db2.gz VZCDYXLLPBMDJR-CVDCTZTESA-N 1 0 453.583 4.237 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)C1 ZINC001300434355 1068690697 /nfs/dbraw/zinc/69/06/97/1068690697.db2.gz KKIGFWRWECAKJS-ZEQRLZLVSA-N 1 0 451.611 4.103 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300434684 1068692311 /nfs/dbraw/zinc/69/23/11/1068692311.db2.gz HJZXZBNQZNAQOJ-OTNCWRBYSA-N 1 0 499.700 4.170 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC001353886078 1068721827 /nfs/dbraw/zinc/72/18/27/1068721827.db2.gz TZYVPAXHJZCCHM-UHFFFAOYSA-N 1 0 454.571 4.202 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)c1 ZINC001300442851 1068725520 /nfs/dbraw/zinc/72/55/20/1068725520.db2.gz SQGPUJKTQNOTRS-JOCHJYFZSA-N 1 0 454.663 4.031 20 0 JIADRO CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001353893558 1068728079 /nfs/dbraw/zinc/72/80/79/1068728079.db2.gz QZECYOFOTVNKEB-YOEHRIQHSA-N 1 0 458.580 4.222 20 0 JIADRO COc1cccc(OC)c1OC1CCN(c2nnc(CC(C)C)n2CC[NH+]2CCCCCC2)CC1 ZINC001300449558 1068750811 /nfs/dbraw/zinc/75/08/11/1068750811.db2.gz LPEPQXRZMORIFW-UHFFFAOYSA-N 1 0 485.673 4.418 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cc(C)cs2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300465199 1068803322 /nfs/dbraw/zinc/80/33/22/1068803322.db2.gz GGHCZLMWVAGEOT-UHFFFAOYSA-N 1 0 482.698 4.234 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300469907 1068810691 /nfs/dbraw/zinc/81/06/91/1068810691.db2.gz IGSQVOSNLWLVCU-OAQYLSRUSA-N 1 0 485.673 4.301 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492566656 1068827659 /nfs/dbraw/zinc/82/76/59/1068827659.db2.gz UFFPUHHJYMXXQH-ILBGXUMGSA-N 1 0 480.701 4.363 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300478481 1068829896 /nfs/dbraw/zinc/82/98/96/1068829896.db2.gz JBHSDTATEYCFJZ-DYLHXGEVSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300481168 1068835131 /nfs/dbraw/zinc/83/51/31/1068835131.db2.gz HNXFWOSWAAHQJQ-UHFFFAOYSA-N 1 0 481.588 4.480 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCC[NH+](C(C)C)C(C)C ZINC001300484727 1068842409 /nfs/dbraw/zinc/84/24/09/1068842409.db2.gz VVNGULRZXPEMBD-SVGJNIJCSA-N 1 0 455.647 4.060 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300486416 1068847490 /nfs/dbraw/zinc/84/74/90/1068847490.db2.gz WZFOXJRWSYDKSX-FCHUYYIVSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001300491717 1068856939 /nfs/dbraw/zinc/85/69/39/1068856939.db2.gz OOXGSFUKKDWHRQ-UHFFFAOYSA-N 1 0 486.661 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300492305 1068858361 /nfs/dbraw/zinc/85/83/61/1068858361.db2.gz OURXIWJEXPCHHU-FDDCHVKYSA-N 1 0 495.590 4.358 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001200542323 1068858927 /nfs/dbraw/zinc/85/89/27/1068858927.db2.gz KKOKDZYWYJIMKZ-BSKCKQQNSA-N 1 0 457.640 4.099 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300499690 1068868132 /nfs/dbraw/zinc/86/81/32/1068868132.db2.gz TVGMSXXHKNCLLD-WOJBJXKFSA-N 1 0 498.672 4.178 20 0 JIADRO COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001200548546 1068868544 /nfs/dbraw/zinc/86/85/44/1068868544.db2.gz GFSGNTZFHRMICC-UPVQGACJSA-N 1 0 450.583 4.403 20 0 JIADRO CN(c1ccc(OC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)S(=O)(=O)c1cccs1 ZINC001354068195 1068877039 /nfs/dbraw/zinc/87/70/39/1068877039.db2.gz HLVQABYTAQICGL-LJQANCHMSA-N 1 0 456.589 4.001 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300518445 1068904016 /nfs/dbraw/zinc/90/40/16/1068904016.db2.gz SKRYMYPADIOVAG-OFNKIYASSA-N 1 0 455.647 4.325 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@H]2CNC(=S)NCc2ccco2)CC1 ZINC001200570315 1068915208 /nfs/dbraw/zinc/91/52/08/1068915208.db2.gz DOKPVYWIIYQHAE-JOCHJYFZSA-N 1 0 498.693 4.393 20 0 JIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1OC ZINC001354132981 1068919595 /nfs/dbraw/zinc/91/95/95/1068919595.db2.gz CEPIXOCXSAHGTP-LJQANCHMSA-N 1 0 453.583 4.336 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+](C)C ZINC001300525745 1068927017 /nfs/dbraw/zinc/92/70/17/1068927017.db2.gz UOYVFWUCYDWDRT-HOTGVXAUSA-N 1 0 475.435 4.062 20 0 JIADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001354143684 1068930300 /nfs/dbraw/zinc/93/03/00/1068930300.db2.gz YNFGGCCHMWDUCM-GOSISDBHSA-N 1 0 450.970 4.048 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1nnc(-c2ccco2)n1CC ZINC001354147804 1068931570 /nfs/dbraw/zinc/93/15/70/1068931570.db2.gz UHYCNBFODSZNLF-FQEVSTJZSA-N 1 0 453.612 4.021 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300533208 1068949002 /nfs/dbraw/zinc/94/90/02/1068949002.db2.gz VVPRFNVMBAUPSQ-UXHICEINSA-N 1 0 482.698 4.442 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300536855 1068958774 /nfs/dbraw/zinc/95/87/74/1068958774.db2.gz JPUWBQAOBBQMTN-UHFFFAOYSA-N 1 0 495.590 4.300 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC(C)(F)F ZINC001492569075 1068964514 /nfs/dbraw/zinc/96/45/14/1068964514.db2.gz LDDNRHUIPVSFNE-UHFFFAOYSA-N 1 0 460.617 4.294 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000849212128 1068970055 /nfs/dbraw/zinc/97/00/55/1068970055.db2.gz ABPLWVMPBFWTLR-UHFFFAOYSA-N 1 0 499.611 4.268 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)[C@@H]1c1cccs1 ZINC001354209627 1068980195 /nfs/dbraw/zinc/98/01/95/1068980195.db2.gz IRVGNXTVPIAPDC-KYOSRNDESA-N 1 0 450.240 4.143 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300548219 1068990800 /nfs/dbraw/zinc/99/08/00/1068990800.db2.gz XVTOJEAKBVDPNE-RTWAWAEBSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300548328 1068991849 /nfs/dbraw/zinc/99/18/49/1068991849.db2.gz ZDVPEFNCORGEFW-WOJBJXKFSA-N 1 0 471.646 4.076 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300549342 1068994660 /nfs/dbraw/zinc/99/46/60/1068994660.db2.gz VKORGNXIVJXBPV-JOCHJYFZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300552856 1069004284 /nfs/dbraw/zinc/00/42/84/1069004284.db2.gz VJTOVUOOHCGSAU-NLFFAJNJSA-N 1 0 457.688 4.187 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492570702 1069005553 /nfs/dbraw/zinc/00/55/53/1069005553.db2.gz HBFDCDGQFDYDHR-GOTSBHOMSA-N 1 0 455.647 4.148 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCC(C)(C)C ZINC001300555303 1069010122 /nfs/dbraw/zinc/01/01/22/1069010122.db2.gz AVOFEEZMVRUIFG-DEOSSOPVSA-N 1 0 482.717 4.309 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@@](C)(O)C(C)C ZINC001492570185 1069017174 /nfs/dbraw/zinc/01/71/74/1069017174.db2.gz SURAACSQZVAIQS-RUZDIDTESA-N 1 0 453.656 4.087 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001492571905 1069022217 /nfs/dbraw/zinc/02/22/17/1069022217.db2.gz MMBKSMYRBGDDTC-VWPQPMDRSA-N 1 0 461.601 4.338 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492589190 1069036875 /nfs/dbraw/zinc/03/68/75/1069036875.db2.gz NCWBFLWYMVESTL-ISXFXILCSA-N 1 0 453.675 4.143 20 0 JIADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)ccc1F ZINC001200614240 1069043986 /nfs/dbraw/zinc/04/39/86/1069043986.db2.gz JBDDXWDQIAEGHZ-ISKFKSNPSA-N 1 0 454.567 4.171 20 0 JIADRO CC(C)Cn1cc([C@H]2N(Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479963 1069049018 /nfs/dbraw/zinc/04/90/18/1069049018.db2.gz ZJSAQIOJKIORIK-HHHXNRCGSA-N 1 0 465.686 4.423 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849488697 1069056324 /nfs/dbraw/zinc/05/63/24/1069056324.db2.gz IHQLGCPSVUQNHQ-RTWAWAEBSA-N 1 0 452.580 4.153 20 0 JIADRO COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849491101 1069057428 /nfs/dbraw/zinc/05/74/28/1069057428.db2.gz QZGFVIRJDGFSJC-ICSRJNTNSA-N 1 0 453.612 4.313 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001300567861 1069064205 /nfs/dbraw/zinc/06/42/05/1069064205.db2.gz LYODCUCTZNJKLJ-SFHVURJKSA-N 1 0 484.670 4.010 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849494985 1069065774 /nfs/dbraw/zinc/06/57/74/1069065774.db2.gz ZNUSYOBTUZZUFO-DLBZAZTESA-N 1 0 458.912 4.467 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC[C@H](SC)C2)n1CC[NH+]1CCCCCC1 ZINC001300568394 1069066702 /nfs/dbraw/zinc/06/67/02/1069066702.db2.gz SNGPPSONQKQRLE-QFIPXVFZSA-N 1 0 457.688 4.475 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[C@H](c2cnn(C)c2)C1 ZINC000849495793 1069067575 /nfs/dbraw/zinc/06/75/75/1069067575.db2.gz FLQKQIKAXSSOLI-LMSBXDPUSA-N 1 0 468.486 4.260 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC000849496369 1069067656 /nfs/dbraw/zinc/06/76/56/1069067656.db2.gz KBDPSVHCXIYGMQ-GOTSBHOMSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496405 1069067685 /nfs/dbraw/zinc/06/76/85/1069067685.db2.gz KGJWJZZUYLLVKQ-SXOMAYOGSA-N 1 0 471.649 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849497041 1069068515 /nfs/dbraw/zinc/06/85/15/1069068515.db2.gz CONRWFPQGOBXPZ-LEWJYISDSA-N 1 0 461.448 4.091 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501308 1069073012 /nfs/dbraw/zinc/07/30/12/1069073012.db2.gz UPMOPXOLRNNTMP-DHIUTWEWSA-N 1 0 493.583 4.273 20 0 JIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849502135 1069075844 /nfs/dbraw/zinc/07/58/44/1069075844.db2.gz PCHMYRKQIAZVQY-BJKOFHAPSA-N 1 0 459.594 4.433 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503156 1069076583 /nfs/dbraw/zinc/07/65/83/1069076583.db2.gz GYPQZFVSEAJYPU-NHCUHLMSSA-N 1 0 455.603 4.368 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503146 1069076735 /nfs/dbraw/zinc/07/67/35/1069076735.db2.gz GQOSGFJQGBDOPO-SFTDATJTSA-N 1 0 455.603 4.368 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504677 1069084389 /nfs/dbraw/zinc/08/43/89/1069084389.db2.gz DJHFJYRKPBPERV-YADHBBJMSA-N 1 0 473.459 4.235 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cn1 ZINC000849507345 1069087949 /nfs/dbraw/zinc/08/79/49/1069087949.db2.gz ZBSBMJVSZGQNEF-IKGGRYGDSA-N 1 0 453.439 4.380 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849507756 1069088992 /nfs/dbraw/zinc/08/89/92/1069088992.db2.gz SNJQQQCOTPFOPR-RBUKOAKNSA-N 1 0 469.973 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300573609 1069089482 /nfs/dbraw/zinc/08/94/82/1069089482.db2.gz IXOYZFPTAJPKDE-QPPBQGQZSA-N 1 0 455.647 4.003 20 0 JIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509419 1069090794 /nfs/dbraw/zinc/09/07/94/1069090794.db2.gz YIDOAKQNGIFOMO-FGZHOGPDSA-N 1 0 461.448 4.434 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849510069 1069091767 /nfs/dbraw/zinc/09/17/67/1069091767.db2.gz OHKOTANYXDSNFP-PMACEKPBSA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCC(C)(F)F ZINC001300574370 1069093344 /nfs/dbraw/zinc/09/33/44/1069093344.db2.gz WMLZUDFCIOVSRB-UHFFFAOYSA-N 1 0 475.609 4.349 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(Br)c(C)c2F)c1 ZINC001354311827 1069098029 /nfs/dbraw/zinc/09/80/29/1069098029.db2.gz BLHYSNMHXVORNQ-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513578 1069098124 /nfs/dbraw/zinc/09/81/24/1069098124.db2.gz CMRCMGWVQBWVAR-WOJBJXKFSA-N 1 0 470.668 4.492 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514908 1069099737 /nfs/dbraw/zinc/09/97/37/1069099737.db2.gz JRVQJOTZBMOKQU-DQEYMECFSA-N 1 0 496.633 4.069 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001300576456 1069101565 /nfs/dbraw/zinc/10/15/65/1069101565.db2.gz HJWWZTZFPKQYMF-HHHXNRCGSA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001300576457 1069101697 /nfs/dbraw/zinc/10/16/97/1069101697.db2.gz HJWWZTZFPKQYMF-MHZLTWQESA-N 1 0 469.674 4.395 20 0 JIADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849516218 1069101652 /nfs/dbraw/zinc/10/16/52/1069101652.db2.gz ORYKWJASEVTVPZ-SDHOMARFSA-N 1 0 482.669 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849515873 1069101817 /nfs/dbraw/zinc/10/18/17/1069101817.db2.gz NCJCBAMMQQEKDD-VJBMBRPKSA-N 1 0 497.043 4.344 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300576690 1069102057 /nfs/dbraw/zinc/10/20/57/1069102057.db2.gz KJGRUTZAAVVIBY-FQEVSTJZSA-N 1 0 455.647 4.003 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516692 1069104174 /nfs/dbraw/zinc/10/41/74/1069104174.db2.gz ABPCVSXYEXCAQT-YADHBBJMSA-N 1 0 485.510 4.365 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518065 1069105328 /nfs/dbraw/zinc/10/53/28/1069105328.db2.gz NFTOOACCYVOWHQ-PMACEKPBSA-N 1 0 462.063 4.079 20 0 JIADRO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517852 1069107224 /nfs/dbraw/zinc/10/72/24/1069107224.db2.gz PIPMYIZILGYNCM-XZOQPEGZSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849522376 1069113994 /nfs/dbraw/zinc/11/39/94/1069113994.db2.gz KUIPOBDMMFKVFQ-UNCTUWKVSA-N 1 0 472.633 4.465 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849522255 1069114465 /nfs/dbraw/zinc/11/44/65/1069114465.db2.gz KMYZYUONAFVIFA-PMACEKPBSA-N 1 0 452.628 4.050 20 0 JIADRO C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H]1C ZINC000849522139 1069114846 /nfs/dbraw/zinc/11/48/46/1069114846.db2.gz XFCAILSBIGFZLR-UOBOAIMASA-N 1 0 466.626 4.038 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521523 1069115916 /nfs/dbraw/zinc/11/59/16/1069115916.db2.gz FERBWRMNWBYQKZ-NJDAHSKKSA-N 1 0 452.628 4.266 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)s2)c1 ZINC000504194165 1069117393 /nfs/dbraw/zinc/11/73/93/1069117393.db2.gz FSGOWWHUNCQTDD-NRFANRHFSA-N 1 0 467.595 4.105 20 0 JIADRO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849524896 1069118222 /nfs/dbraw/zinc/11/82/22/1069118222.db2.gz KOXXWQMBKSGMMK-UPVQGACJSA-N 1 0 476.577 4.452 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119377 /nfs/dbraw/zinc/11/93/77/1069119377.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 1 0 472.077 4.058 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001300582632 1069123285 /nfs/dbraw/zinc/12/32/85/1069123285.db2.gz JYSHFTCIONVXLL-UHFFFAOYSA-N 1 0 457.688 4.451 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849527072 1069124548 /nfs/dbraw/zinc/12/45/48/1069124548.db2.gz UGSPAELEKOEOFM-VXKWHMMOSA-N 1 0 481.000 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849527145 1069124983 /nfs/dbraw/zinc/12/49/83/1069124983.db2.gz VDMFHEMCDKCLBQ-SFTDATJTSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849527949 1069127623 /nfs/dbraw/zinc/12/76/23/1069127623.db2.gz XWTSWYPYSMSDOP-XZOQPEGZSA-N 1 0 480.634 4.300 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cn1 ZINC000849527989 1069128285 /nfs/dbraw/zinc/12/82/85/1069128285.db2.gz YFWDARLABRMMBH-NXCFDTQHSA-N 1 0 471.605 4.071 20 0 JIADRO Cc1ccc(-n2c3ccc(Br)cc3nc2NC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001354350088 1069131127 /nfs/dbraw/zinc/13/11/27/1069131127.db2.gz YMZZXPRTKPHCBN-UHFFFAOYSA-N 1 0 457.372 4.146 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)CC23CCOCC3)cn1 ZINC000849534475 1069142431 /nfs/dbraw/zinc/14/24/31/1069142431.db2.gz JRLFUFZTAMVURK-SANMLTNESA-N 1 0 479.669 4.063 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849535248 1069147997 /nfs/dbraw/zinc/14/79/97/1069147997.db2.gz OJWPCPVJYODWFO-JWQCQUIFSA-N 1 0 486.682 4.120 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)CC23CCOCC3)cn1 ZINC000849542629 1069173395 /nfs/dbraw/zinc/17/33/95/1069173395.db2.gz FUWBCJSGQBBQJO-RPBOFIJWSA-N 1 0 450.627 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849547141 1069182950 /nfs/dbraw/zinc/18/29/50/1069182950.db2.gz FQCBFLITDHDFOC-TZNXZYKKSA-N 1 0 464.635 4.181 20 0 JIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1 ZINC001354403346 1069185152 /nfs/dbraw/zinc/18/51/52/1069185152.db2.gz GSUCFNLTIYADAC-UHFFFAOYSA-N 1 0 453.992 4.006 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548285 1069186221 /nfs/dbraw/zinc/18/62/21/1069186221.db2.gz MQJFQUMDFRQTSY-FGZHOGPDSA-N 1 0 474.590 4.405 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549007 1069187281 /nfs/dbraw/zinc/18/72/81/1069187281.db2.gz QAHINWMLFKSXJB-NMNUPHIUSA-N 1 0 475.475 4.382 20 0 JIADRO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849548051 1069187307 /nfs/dbraw/zinc/18/73/07/1069187307.db2.gz KHVMGYVFBPGTSX-FPOVZHCZSA-N 1 0 485.032 4.376 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549099 1069188208 /nfs/dbraw/zinc/18/82/08/1069188208.db2.gz RNVMNQNFRXYNCV-XIWHWFKQSA-N 1 0 478.662 4.322 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550390 1069189442 /nfs/dbraw/zinc/18/94/42/1069189442.db2.gz DFUVDMZULAHUSN-FCHUYYIVSA-N 1 0 452.986 4.004 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849550353 1069189631 /nfs/dbraw/zinc/18/96/31/1069189631.db2.gz ZFTIGGCBOXQRJP-DNQXCXABSA-N 1 0 456.656 4.285 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849550532 1069191784 /nfs/dbraw/zinc/19/17/84/1069191784.db2.gz ZFTIGGCBOXQRJP-RPWUZVMVSA-N 1 0 456.656 4.285 20 0 JIADRO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552375 1069192045 /nfs/dbraw/zinc/19/20/45/1069192045.db2.gz FBNRWLWOUPOLPU-IRLDBZIGSA-N 1 0 482.968 4.326 20 0 JIADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550537 1069192381 /nfs/dbraw/zinc/19/23/81/1069192381.db2.gz ZGGNWKCVCZTTKH-SFTDATJTSA-N 1 0 473.499 4.325 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552157 1069193109 /nfs/dbraw/zinc/19/31/09/1069193109.db2.gz HFEXGUSVKNYOKE-SFTDATJTSA-N 1 0 459.432 4.194 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849553228 1069196192 /nfs/dbraw/zinc/19/61/92/1069196192.db2.gz QJEVOAHAIIAFCQ-VXKWHMMOSA-N 1 0 473.459 4.187 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000849554853 1069201054 /nfs/dbraw/zinc/20/10/54/1069201054.db2.gz WMTKWQSQDXKCSQ-HUUCEWRRSA-N 1 0 462.488 4.470 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556168 1069201273 /nfs/dbraw/zinc/20/12/73/1069201273.db2.gz AORVFKLJTCSSHQ-PMACEKPBSA-N 1 0 493.409 4.400 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556951 1069203419 /nfs/dbraw/zinc/20/34/19/1069203419.db2.gz DQSKHYATRJOVFR-RMDSEJHCSA-N 1 0 494.611 4.296 20 0 JIADRO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557896 1069205325 /nfs/dbraw/zinc/20/53/25/1069205325.db2.gz JZGURNXDDYBUOC-VAMGGRTRSA-N 1 0 466.548 4.227 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849562358 1069210504 /nfs/dbraw/zinc/21/05/04/1069210504.db2.gz NLJOOVXBNOZYLC-IAGOWNOFSA-N 1 0 475.367 4.459 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561743 1069211055 /nfs/dbraw/zinc/21/10/55/1069211055.db2.gz KVDACUYOYUYLPC-PKTZIBPZSA-N 1 0 471.527 4.098 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001300609656 1069211619 /nfs/dbraw/zinc/21/16/19/1069211619.db2.gz GOSIOFRDNMLLPG-UHFFFAOYSA-N 1 0 468.690 4.171 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849564728 1069215538 /nfs/dbraw/zinc/21/55/38/1069215538.db2.gz QJEZJUATRATDKE-RYQLBKOJSA-N 1 0 469.577 4.116 20 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QRCHQZAFVVJQSR-VSGBNLITSA-N 1 0 483.660 4.148 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849573226 1069224642 /nfs/dbraw/zinc/22/46/42/1069224642.db2.gz QCCZQEMBJLMLNG-IPMKNSEASA-N 1 0 474.474 4.255 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300614718 1069226823 /nfs/dbraw/zinc/22/68/23/1069226823.db2.gz JNRLAYRQEBZWHA-QHCPKHFHSA-N 1 0 468.690 4.421 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849579258 1069229945 /nfs/dbraw/zinc/22/99/45/1069229945.db2.gz WLZOMTFUNZZDRT-VQTJNVASSA-N 1 0 463.607 4.420 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581073 1069232581 /nfs/dbraw/zinc/23/25/81/1069232581.db2.gz DQAQXEPQDJTXMI-BJKOFHAPSA-N 1 0 462.594 4.460 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849582547 1069234223 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1069257547 /nfs/dbraw/zinc/25/75/47/1069257547.db2.gz MSAPIYHFWDNVDX-RTWAWAEBSA-N 1 0 460.607 4.067 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849609534 1069265931 /nfs/dbraw/zinc/26/59/31/1069265931.db2.gz CJKFHJMHMXZGGB-FUHWJXTLSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849611122 1069269592 /nfs/dbraw/zinc/26/95/92/1069269592.db2.gz UBRIROSDYBODPT-SJORKVTESA-N 1 0 462.670 4.078 20 0 JIADRO CCc1cc(Br)cc2sc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849611962 1069273071 /nfs/dbraw/zinc/27/30/71/1069273071.db2.gz CTKAVQFJBVFKHX-HOTGVXAUSA-N 1 0 462.417 4.029 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC000849613499 1069274386 /nfs/dbraw/zinc/27/43/86/1069274386.db2.gz SNWUMQCKLWUBTQ-DZGCQCFKSA-N 1 0 462.779 4.058 20 0 JIADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 ZINC001354513642 1069283370 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/nfs/dbraw/zinc/67/13/00/719671300.db2.gz WMGNYZCHGLDAHO-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccsc4)nn3)CC2)c2ccccc21 ZINC001164683184 719681796 /nfs/dbraw/zinc/68/17/96/719681796.db2.gz FILQMXAYOAGFMY-OAQYLSRUSA-N 1 0 475.662 4.299 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)CC2 ZINC001164682966 719711420 /nfs/dbraw/zinc/71/14/20/719711420.db2.gz HRIUBNPHNGOHBP-UHFFFAOYSA-N 1 0 467.976 4.270 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)n1 ZINC001164690649 719760455 /nfs/dbraw/zinc/76/04/55/719760455.db2.gz GOJKHWXQURHTKP-AVRWGWEMSA-N 1 0 484.645 4.343 20 0 JIADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692307 719811803 /nfs/dbraw/zinc/81/18/03/719811803.db2.gz PGVSKSXHJXWNMN-SNAWJCMRSA-N 1 0 451.596 4.149 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)ncnc42)CC3)cs1 ZINC001164692145 719814962 /nfs/dbraw/zinc/81/49/62/719814962.db2.gz MILGMRNKXKWUQJ-UHFFFAOYSA-N 1 0 450.399 4.127 20 0 JIADRO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695266 719887251 /nfs/dbraw/zinc/88/72/51/719887251.db2.gz KNWKKVXJTPICIE-UHFFFAOYSA-N 1 0 454.640 4.077 20 0 JIADRO CCOc1cc2ncnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2cc1OCC ZINC001164714252 720119145 /nfs/dbraw/zinc/11/91/45/720119145.db2.gz BESMJMMECJTTLM-QFIPXVFZSA-N 1 0 491.636 4.330 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164718108 720124007 /nfs/dbraw/zinc/12/40/07/720124007.db2.gz RTEVWRVHAILNAG-HXUWFJFHSA-N 1 0 486.060 4.166 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164719673 720127202 /nfs/dbraw/zinc/12/72/02/720127202.db2.gz ZUYYXELIXFQVMA-LJQANCHMSA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164710810 720144637 /nfs/dbraw/zinc/14/46/37/720144637.db2.gz DAGHTHOQRGXWCI-JOCHJYFZSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164712269 720146666 /nfs/dbraw/zinc/14/66/66/720146666.db2.gz MEZDTZNTQDBTSO-QGZVFWFLSA-N 1 0 476.959 4.059 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)n1 ZINC001164712270 720146730 /nfs/dbraw/zinc/14/67/30/720146730.db2.gz MGANRRSEDDUEPN-KRWDZBQOSA-N 1 0 450.414 4.248 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815543 720151216 /nfs/dbraw/zinc/15/12/16/720151216.db2.gz ICSDHZYNOVXGNA-LSYYVWMOSA-N 1 0 463.622 4.369 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815544 720151331 /nfs/dbraw/zinc/15/13/31/720151331.db2.gz ICSDHZYNOVXGNA-NAKRPHOHSA-N 1 0 463.622 4.369 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819162 720169714 /nfs/dbraw/zinc/16/97/14/720169714.db2.gz WGSAFQHJMQKUQF-YWEHKCAJSA-N 1 0 459.638 4.281 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819871 720182433 /nfs/dbraw/zinc/18/24/33/720182433.db2.gz YUZHTGSTODWRFR-SKCUWOTOSA-N 1 0 458.606 4.490 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810921 720199913 /nfs/dbraw/zinc/19/99/13/720199913.db2.gz FMNFFIVGGDHMFL-NFQMXDRXSA-N 1 0 491.039 4.439 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CCC2 ZINC001164818608 720244989 /nfs/dbraw/zinc/24/49/89/720244989.db2.gz ZTTJXMYAOJEENV-UHFFFAOYSA-N 1 0 489.407 4.383 20 0 JIADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164815792 720260355 /nfs/dbraw/zinc/26/03/55/720260355.db2.gz FBUFMXWEFOFENZ-WOJBJXKFSA-N 1 0 494.011 4.191 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164825217 720306345 /nfs/dbraw/zinc/30/63/45/720306345.db2.gz STYNILUQDQWCRL-RTBURBONSA-N 1 0 467.664 4.331 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001164825797 720315943 /nfs/dbraw/zinc/31/59/43/720315943.db2.gz TYDLEIRZJPTVBV-JWQCQUIFSA-N 1 0 455.606 4.208 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164832002 720323272 /nfs/dbraw/zinc/32/32/72/720323272.db2.gz SSNJUYFTQJLLHD-RTBURBONSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001164832001 720323349 /nfs/dbraw/zinc/32/33/49/720323349.db2.gz SSNJUYFTQJLLHD-RBUKOAKNSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164828972 720326931 /nfs/dbraw/zinc/32/69/31/720326931.db2.gz KYNRQGYDEVKZKH-UXHICEINSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164831986 720330259 /nfs/dbraw/zinc/33/02/59/720330259.db2.gz SPJRDEHKAKMHEV-SFTDATJTSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164831251 720338971 /nfs/dbraw/zinc/33/89/71/720338971.db2.gz YLUYCILQPKKUMV-LOSJGSFVSA-N 1 0 473.596 4.347 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164831250 720339398 /nfs/dbraw/zinc/33/93/98/720339398.db2.gz YLUYCILQPKKUMV-JWQCQUIFSA-N 1 0 473.596 4.347 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829641 720352316 /nfs/dbraw/zinc/35/23/16/720352316.db2.gz SZUMKCGVEOGTFJ-WOJBJXKFSA-N 1 0 470.017 4.142 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164829164 720352514 /nfs/dbraw/zinc/35/25/14/720352514.db2.gz QSEUJVZJFHNNNK-RTWAWAEBSA-N 1 0 470.017 4.142 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]21 ZINC001164840679 720549513 /nfs/dbraw/zinc/54/95/13/720549513.db2.gz SONAVGFTIOMEST-FKBYEOEOSA-N 1 0 467.017 4.283 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837298 720580608 /nfs/dbraw/zinc/58/06/08/720580608.db2.gz HXBSQWXCIXHYSK-XGHQBKJUSA-N 1 0 476.959 4.282 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)n2)CCC3)s1 ZINC001164736152 720587654 /nfs/dbraw/zinc/58/76/54/720587654.db2.gz DZHZZOGHYDIFBF-UHFFFAOYSA-N 1 0 455.031 4.202 20 0 JIADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164839486 720600865 /nfs/dbraw/zinc/60/08/65/720600865.db2.gz NKZDIFDFYWOWDB-CMKODMSKSA-N 1 0 450.656 4.317 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838739 720617101 /nfs/dbraw/zinc/61/71/01/720617101.db2.gz LKKLTSTWSKOCRN-CBGDNZLLSA-N 1 0 490.986 4.411 20 0 JIADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164843759 720662823 /nfs/dbraw/zinc/66/28/23/720662823.db2.gz XOUKAMBEURXJNA-SFHVURJKSA-N 1 0 494.970 4.112 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164840442 720666766 /nfs/dbraw/zinc/66/67/66/720666766.db2.gz MMZIXTIQQADUHB-HXUWFJFHSA-N 1 0 480.996 4.330 20 0 JIADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737303 720678871 /nfs/dbraw/zinc/67/88/71/720678871.db2.gz FITPJVLRIDKNDO-GJZGRUSLSA-N 1 0 466.319 4.218 20 0 JIADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737304 720679314 /nfs/dbraw/zinc/67/93/14/720679314.db2.gz FITPJVLRIDKNDO-HUUCEWRRSA-N 1 0 466.319 4.218 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164843395 720695937 /nfs/dbraw/zinc/69/59/37/720695937.db2.gz PJYJLZMFZISOJI-QFIPXVFZSA-N 1 0 471.045 4.477 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838315 720703867 /nfs/dbraw/zinc/70/38/67/720703867.db2.gz HZDRFYGTDOQKIQ-LJQANCHMSA-N 1 0 455.006 4.321 20 0 JIADRO O=C1CCCC2(CCN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)CC2)N1 ZINC001164837472 720732995 /nfs/dbraw/zinc/73/29/95/720732995.db2.gz KSMHAIUXZBNYKO-UHFFFAOYSA-N 1 0 481.040 4.396 20 0 JIADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739435 720736963 /nfs/dbraw/zinc/73/69/63/720736963.db2.gz IOUHUSLICJBGBV-IRXDYDNUSA-N 1 0 464.982 4.144 20 0 JIADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843036 720742552 /nfs/dbraw/zinc/74/25/52/720742552.db2.gz HJHSLLLVZDNOGM-UHFFFAOYSA-N 1 0 481.938 4.186 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164849578 720781439 /nfs/dbraw/zinc/78/14/39/720781439.db2.gz UGXYTLMNWVMCQQ-WWNPGLIZSA-N 1 0 490.982 4.395 20 0 JIADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746071 720819635 /nfs/dbraw/zinc/81/96/35/720819635.db2.gz XWLOWVFZDDWIBI-MQSCRBSSSA-N 1 0 471.634 4.329 20 0 JIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740646 720824716 /nfs/dbraw/zinc/82/47/16/720824716.db2.gz KIBGIDGJUXVLHV-CZTZKLFOSA-N 1 0 472.971 4.404 20 0 JIADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744992 720826195 /nfs/dbraw/zinc/82/61/95/720826195.db2.gz VUDNIXYFEKQEQS-JIMJEQGWSA-N 1 0 492.631 4.177 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]2C1 ZINC001164852322 720844363 /nfs/dbraw/zinc/84/43/63/720844363.db2.gz KBSCTUAPRPVITE-CTNGQTDRSA-N 1 0 451.945 4.120 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164854459 720853197 /nfs/dbraw/zinc/85/31/97/720853197.db2.gz KBEUTYMRLGFXNN-AUSIDOKSSA-N 1 0 452.986 4.124 20 0 JIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746070 720855589 /nfs/dbraw/zinc/85/55/89/720855589.db2.gz FOCIQFWBPJTKOA-WRWLIDTKSA-N 1 0 473.959 4.192 20 0 JIADRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747005 720856225 /nfs/dbraw/zinc/85/62/25/720856225.db2.gz HMFGEIPEUOMPJO-GGBSJPMNSA-N 1 0 492.071 4.309 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@@H]2C1 ZINC001164853498 720856302 /nfs/dbraw/zinc/85/63/02/720856302.db2.gz GVHOGRASFALCQI-DHIUTWEWSA-N 1 0 480.012 4.033 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748748 720857754 /nfs/dbraw/zinc/85/77/54/720857754.db2.gz LXQXWLBVIGFYLC-IBGGVINMSA-N 1 0 495.631 4.180 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164859672 720861678 /nfs/dbraw/zinc/86/16/78/720861678.db2.gz VEJUOQMMNGOETL-YADARESESA-N 1 0 483.012 4.132 20 0 JIADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752489 720867470 /nfs/dbraw/zinc/86/74/70/720867470.db2.gz NCJYNJTXIQTQAA-GGAORHGYSA-N 1 0 462.972 4.430 20 0 JIADRO COc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164749026 720869142 /nfs/dbraw/zinc/86/91/42/720869142.db2.gz GGNXCVGBHIHBJH-JIPXPUAJSA-N 1 0 494.039 4.442 20 0 JIADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747826 720870657 /nfs/dbraw/zinc/87/06/57/720870657.db2.gz BVNLQZGSOKXQCM-JTHBVZDNSA-N 1 0 462.972 4.430 20 0 JIADRO Clc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755477 720877778 /nfs/dbraw/zinc/87/77/78/720877778.db2.gz XOWVJBHPSFADGT-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753817 720881599 /nfs/dbraw/zinc/88/15/99/720881599.db2.gz QBDZVVLJMUWEDD-FGCOXFRFSA-N 1 0 460.981 4.013 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753211 720881884 /nfs/dbraw/zinc/88/18/84/720881884.db2.gz GDCVUTPAZUXMTH-GJZUVCINSA-N 1 0 497.734 4.495 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756515 720882517 /nfs/dbraw/zinc/88/25/17/720882517.db2.gz PWUIPNOPWUAHIW-AJTFRIOCSA-N 1 0 499.055 4.370 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)CC[C@H]2C1 ZINC001164856525 720884878 /nfs/dbraw/zinc/88/48/78/720884878.db2.gz IFMCMDPHZNSRAL-NVQXNPDNSA-N 1 0 460.578 4.109 20 0 JIADRO Clc1ccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164758889 720886013 /nfs/dbraw/zinc/88/60/13/720886013.db2.gz ZZUQHWBVEGEDEX-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO O=C(Nc1ccccc1)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164751690 720891748 /nfs/dbraw/zinc/89/17/48/720891748.db2.gz DBTSSKZLTRCVEB-FREGXXQWSA-N 1 0 497.643 4.484 20 0 JIADRO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164750549 720898661 /nfs/dbraw/zinc/89/86/61/720898661.db2.gz BIXLHAGTTYWHPF-SVEHJYQDSA-N 1 0 485.632 4.302 20 0 JIADRO c1csc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164752672 720916596 /nfs/dbraw/zinc/91/65/96/720916596.db2.gz OJENFLCAOPLFJM-ATIYNZHBSA-N 1 0 461.635 4.355 20 0 JIADRO Fc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164753256 720916913 /nfs/dbraw/zinc/91/69/13/720916913.db2.gz REHKUZSDSQKVCG-UFHPHHKVSA-N 1 0 473.596 4.433 20 0 JIADRO Cc1nc(-c2ccccn2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164755188 720923558 /nfs/dbraw/zinc/92/35/58/720923558.db2.gz ZJQGVNRACUXPFX-VAVYLYDRSA-N 1 0 484.648 4.306 20 0 JIADRO Cc1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1C ZINC001164752886 720930474 /nfs/dbraw/zinc/93/04/74/720930474.db2.gz PFRIDRXZUFFYME-RBJSKKJNSA-N 1 0 457.622 4.397 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)[C@@H]2C ZINC001164860504 720936075 /nfs/dbraw/zinc/93/60/75/720936075.db2.gz QGCYOLKILFRNKE-GOSISDBHSA-N 1 0 467.017 4.283 20 0 JIADRO c1cc2c(nc(C3CCC3)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164749180 720940624 /nfs/dbraw/zinc/94/06/24/720940624.db2.gz IFDKNNWVBFPVLF-LXFBAYGMSA-N 1 0 472.637 4.376 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856403 721001762 /nfs/dbraw/zinc/00/17/62/721001762.db2.gz CDPOGJJNCVUVML-HNNXBMFYSA-N 1 0 456.616 4.103 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164770824 721032526 /nfs/dbraw/zinc/03/25/26/721032526.db2.gz ZFUQGVFMJMUJLU-XUZZJYLKSA-N 1 0 490.982 4.396 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164864541 721089237 /nfs/dbraw/zinc/08/92/37/721089237.db2.gz GETQJVWXKRAPOP-RTWAWAEBSA-N 1 0 481.959 4.001 20 0 JIADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865707 721097552 /nfs/dbraw/zinc/09/75/52/721097552.db2.gz OUEGAAXJURTGIE-IAGOWNOFSA-N 1 0 480.346 4.356 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3C2)cn1 ZINC001164765771 721100840 /nfs/dbraw/zinc/10/08/40/721100840.db2.gz JTABGQARZCHHER-RBUKOAKNSA-N 1 0 458.944 4.034 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164876469 721140253 /nfs/dbraw/zinc/14/02/53/721140253.db2.gz MRRZKYINERFEED-IFMALSPDSA-N 1 0 473.602 4.242 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164877587 721143258 /nfs/dbraw/zinc/14/32/58/721143258.db2.gz OUYRIUATHQMYCW-RTWAWAEBSA-N 1 0 473.527 4.450 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164764308 721147011 /nfs/dbraw/zinc/14/70/11/721147011.db2.gz HOUNUMZFRFHMIX-HUUCEWRRSA-N 1 0 467.351 4.173 20 0 JIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164773264 721153177 /nfs/dbraw/zinc/15/31/77/721153177.db2.gz XPBLABBCWQIXFY-RTWAWAEBSA-N 1 0 456.569 4.436 20 0 JIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164878914 721165186 /nfs/dbraw/zinc/16/51/86/721165186.db2.gz QUMZKRQGZHYUGH-VXKWHMMOSA-N 1 0 487.629 4.379 20 0 JIADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876393 721184591 /nfs/dbraw/zinc/18/45/91/721184591.db2.gz MDBVPSXEJAIXDQ-ROUUACIJSA-N 1 0 472.376 4.450 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867822 721184947 /nfs/dbraw/zinc/18/49/47/721184947.db2.gz IIGAFUISFNTZTA-UNMCSNQZSA-N 1 0 465.985 4.359 20 0 JIADRO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164868199 721193449 /nfs/dbraw/zinc/19/34/49/721193449.db2.gz KXTMFQGWIZLCES-UXHICEINSA-N 1 0 489.929 4.356 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866801 721194520 /nfs/dbraw/zinc/19/45/20/721194520.db2.gz DFCWLVBQXFEENI-RBUKOAKNSA-N 1 0 460.912 4.415 20 0 JIADRO CSCc1nc2sc3c(c2c(N2C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C2)n1)CCCC3 ZINC001164770094 721202320 /nfs/dbraw/zinc/20/23/20/721202320.db2.gz MZMDVYIMDNBOKG-ROUUACIJSA-N 1 0 468.696 4.125 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164772844 721222207 /nfs/dbraw/zinc/22/22/07/721222207.db2.gz VMCCMKOYZJDQJE-RTWAWAEBSA-N 1 0 463.029 4.368 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164770188 721224537 /nfs/dbraw/zinc/22/45/37/721224537.db2.gz OBQBUHLMXAQYBW-SJORKVTESA-N 1 0 455.031 4.039 20 0 JIADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760419 721248062 /nfs/dbraw/zinc/24/80/62/721248062.db2.gz DWGATUZEXYNADY-UXHICEINSA-N 1 0 472.971 4.342 20 0 JIADRO c1sc2nc(CN3CCOCC3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1-c1ccccc1 ZINC001164768817 721297884 /nfs/dbraw/zinc/29/78/84/721297884.db2.gz HHJBBVCAVSOREN-UHFFFAOYSA-N 1 0 475.662 4.113 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775184 721308343 /nfs/dbraw/zinc/30/83/43/721308343.db2.gz ATJQNLUXFWAEPN-XMMPIXPASA-N 1 0 463.626 4.016 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(F)c43)C2)C1 ZINC001164776210 721345281 /nfs/dbraw/zinc/34/52/81/721345281.db2.gz ALYIWDRDGRRUAE-HSZRJFAPSA-N 1 0 459.953 4.146 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(OCc4ccccc4)n3)C2)C1 ZINC001164784326 721360787 /nfs/dbraw/zinc/36/07/87/721360787.db2.gz RILRHIOIGOHJMD-HHHXNRCGSA-N 1 0 462.594 4.384 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164881295 721362062 /nfs/dbraw/zinc/36/20/62/721362062.db2.gz BBAVXXYSQIASJT-RUZDIDTESA-N 1 0 489.668 4.282 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C2)C1 ZINC001164782209 721363832 /nfs/dbraw/zinc/36/38/32/721363832.db2.gz LCGBMUZJGSFXGE-RUZDIDTESA-N 1 0 481.000 4.488 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164785231 721364040 /nfs/dbraw/zinc/36/40/40/721364040.db2.gz SPBKMOBERWIJRJ-VWLOTQADSA-N 1 0 471.602 4.152 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892852 721398499 /nfs/dbraw/zinc/39/84/99/721398499.db2.gz TZWMXTBLKYQNLM-XUZZJYLKSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896057 721431652 /nfs/dbraw/zinc/43/16/52/721431652.db2.gz QJTCUCYYAHAEJI-KUHUBIRLSA-N 1 0 483.818 4.352 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164894911 721434689 /nfs/dbraw/zinc/43/46/89/721434689.db2.gz NEZQGYSTHSUCND-WXVAWEFUSA-N 1 0 492.693 4.136 20 0 JIADRO Cc1sc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1-c1ccccc1 ZINC001164893835 721435152 /nfs/dbraw/zinc/43/51/52/721435152.db2.gz KVLNIVIJBSRLFS-WXVAWEFUSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895851 721441497 /nfs/dbraw/zinc/44/14/97/721441497.db2.gz QHOOXDMNZIZZFC-ZJSXRUAMSA-N 1 0 492.014 4.107 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164790564 721450369 /nfs/dbraw/zinc/45/03/69/721450369.db2.gz ZITHUYXRKODBRA-HSZRJFAPSA-N 1 0 453.627 4.286 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164785577 721461039 /nfs/dbraw/zinc/46/10/39/721461039.db2.gz MCFVCBFERBDZPS-IBGZPJMESA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164783305 721464642 /nfs/dbraw/zinc/46/46/42/721464642.db2.gz DFQJDCFVKPOOGT-LJQANCHMSA-N 1 0 451.055 4.161 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164787950 721469235 /nfs/dbraw/zinc/46/92/35/721469235.db2.gz GMAFRVSLUHPPOG-NRFANRHFSA-N 1 0 454.590 4.017 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164788764 721469869 /nfs/dbraw/zinc/46/98/69/721469869.db2.gz JWIZEABRTWIHGY-QFIPXVFZSA-N 1 0 452.599 4.003 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164892225 721470418 /nfs/dbraw/zinc/47/04/18/721470418.db2.gz PNWTXTFTJDRBIP-DHLKQENFSA-N 1 0 460.626 4.463 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164788258 721471575 /nfs/dbraw/zinc/47/15/75/721471575.db2.gz IVQVHVGDZXEGIM-JOCHJYFZSA-N 1 0 468.617 4.325 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164900691 721521008 /nfs/dbraw/zinc/52/10/08/721521008.db2.gz TXKYCZCUTOTJNT-UKRRQHHQSA-N 1 0 454.905 4.371 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@@H+]3C2)c1 ZINC001164905924 721551503 /nfs/dbraw/zinc/55/15/03/721551503.db2.gz IBHWMZNMIPQUJF-IEBWSBKVSA-N 1 0 475.902 4.218 20 0 JIADRO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001164904458 721578865 /nfs/dbraw/zinc/57/88/65/721578865.db2.gz QIDUCLBNIZHRKH-DQEYMECFSA-N 1 0 467.658 4.392 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907467 721586132 /nfs/dbraw/zinc/58/61/32/721586132.db2.gz TZHKBLFETYMARF-HSZRJFAPSA-N 1 0 487.938 4.203 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165008043 721692404 /nfs/dbraw/zinc/69/24/04/721692404.db2.gz IBYCKMAGOCLFCX-ZCIWVVNKSA-N 1 0 463.626 4.426 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906712 721696945 /nfs/dbraw/zinc/69/69/45/721696945.db2.gz PFHSIFQOHYBRDG-QFIPXVFZSA-N 1 0 464.944 4.353 20 0 JIADRO FC1(F)CCN(c2nc(Cl)nc(-c3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904062 721698539 /nfs/dbraw/zinc/69/85/39/721698539.db2.gz CUGSJAOITDSPLV-QFIPXVFZSA-N 1 0 456.928 4.325 20 0 JIADRO FC1(F)CCN(c2nccc(OCc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904934 721702823 /nfs/dbraw/zinc/70/28/23/721702823.db2.gz FRMLBFFGMUULMY-DEOSSOPVSA-N 1 0 451.521 4.188 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906862 721704846 /nfs/dbraw/zinc/70/48/46/721704846.db2.gz OUEKESGPDSCMNK-HSZRJFAPSA-N 1 0 487.938 4.203 20 0 JIADRO COc1cc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2cc1OC ZINC001164907021 721706430 /nfs/dbraw/zinc/70/64/30/721706430.db2.gz PKTWKHCRZTUDPV-HSZRJFAPSA-N 1 0 489.954 4.433 20 0 JIADRO FC(F)(COc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905543 721713336 /nfs/dbraw/zinc/71/33/36/721713336.db2.gz HFQBOHYIIZBCJL-LJQANCHMSA-N 1 0 458.887 4.335 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164907069 721718554 /nfs/dbraw/zinc/71/85/54/721718554.db2.gz QCIBDFIQILRXHE-VWLOTQADSA-N 1 0 464.564 4.342 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906719 721721734 /nfs/dbraw/zinc/72/17/34/721721734.db2.gz NWFHFRYTLFXMSE-RDGATRHJSA-N 1 0 470.564 4.271 20 0 JIADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907672 721722106 /nfs/dbraw/zinc/72/21/06/721722106.db2.gz SMFJIGJQAUYYKG-RUZDIDTESA-N 1 0 464.564 4.363 20 0 JIADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913371 721727124 /nfs/dbraw/zinc/72/71/24/721727124.db2.gz URMUFTDRYIXSJL-IBGZPJMESA-N 1 0 468.886 4.289 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C ZINC001164912148 721730508 /nfs/dbraw/zinc/73/05/08/721730508.db2.gz MEDOPOTXVHNHCL-XMMPIXPASA-N 1 0 450.537 4.288 20 0 JIADRO Cc1nc(C)c(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)s1 ZINC001164913378 721731723 /nfs/dbraw/zinc/73/17/23/721731723.db2.gz UWLNIPLTUMQKGX-JOCHJYFZSA-N 1 0 456.566 4.350 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC001165011886 721736971 /nfs/dbraw/zinc/73/69/71/721736971.db2.gz VXAIMJXETAWHFU-UHFFFAOYSA-N 1 0 455.606 4.334 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc1 ZINC001165012649 721749893 /nfs/dbraw/zinc/74/98/93/721749893.db2.gz LJYSHPZMPGODCG-UHFFFAOYSA-N 1 0 458.006 4.008 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]21 ZINC001165028076 721802860 /nfs/dbraw/zinc/80/28/60/721802860.db2.gz YENLJRSPYMVCBE-DNRSQYFGSA-N 1 0 455.606 4.144 20 0 JIADRO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164918616 721809512 /nfs/dbraw/zinc/80/95/12/721809512.db2.gz RWFOHIGYDWUEOW-RWCIVJTCSA-N 1 0 476.646 4.297 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020729 721810633 /nfs/dbraw/zinc/81/06/33/721810633.db2.gz CTJFCENGZLWNDT-VDZJLULYSA-N 1 0 464.944 4.198 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164916253 721811700 /nfs/dbraw/zinc/81/17/00/721811700.db2.gz GFPJQIFGCZPAHU-LDQXTDLNSA-N 1 0 497.011 4.314 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027371 721811918 /nfs/dbraw/zinc/81/19/18/721811918.db2.gz UKYWKWBHJOAJDZ-CGTJXYLNSA-N 1 0 476.046 4.161 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020676 721819591 /nfs/dbraw/zinc/81/95/91/721819591.db2.gz CJDAMXOUYSGEPS-PTLVVNQVSA-N 1 0 495.668 4.490 20 0 JIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025702 721828505 /nfs/dbraw/zinc/82/85/05/721828505.db2.gz NNGFPICYFYTEHP-QPTUXGOLSA-N 1 0 456.594 4.169 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928708 721836830 /nfs/dbraw/zinc/83/68/30/721836830.db2.gz XXSPYQCVSFBVPX-ZEVJAHDQSA-N 1 0 450.631 4.073 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922821 721846491 /nfs/dbraw/zinc/84/64/91/721846491.db2.gz RJWRMJROHYJGOE-ZEQKJWHPSA-N 1 0 468.621 4.071 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164931610 721890547 /nfs/dbraw/zinc/89/05/47/721890547.db2.gz FTQPSDIXOFCAES-RTWAWAEBSA-N 1 0 450.961 4.170 20 0 JIADRO O=C(C1=CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164926546 721899661 /nfs/dbraw/zinc/89/96/61/721899661.db2.gz DCLGVVRECOPDDH-UHFFFAOYSA-N 1 0 472.633 4.114 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5C(C)C)CC3)C2)cc1 ZINC001164939641 721929009 /nfs/dbraw/zinc/92/90/09/721929009.db2.gz NMDSOWBXYQBJAZ-UHFFFAOYSA-N 1 0 455.006 4.240 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5ccccc5nc4N4CCCC4)CC3)C2)cc1 ZINC001164940675 721930225 /nfs/dbraw/zinc/93/02/25/721930225.db2.gz WMZBHDUWHIOAAJ-UHFFFAOYSA-N 1 0 457.622 4.410 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001164962683 722025336 /nfs/dbraw/zinc/02/53/36/722025336.db2.gz QUMTUFSMEUSQCW-RXFWQSSRSA-N 1 0 495.697 4.298 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001164962682 722025564 /nfs/dbraw/zinc/02/55/64/722025564.db2.gz QUMTUFSMEUSQCW-IBVKSMDESA-N 1 0 495.697 4.298 20 0 JIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963271 722061146 /nfs/dbraw/zinc/06/11/46/722061146.db2.gz UZJYBRJYIDCFRV-VWLOTQADSA-N 1 0 498.002 4.439 20 0 JIADRO Fc1ccc2nc(C(F)F)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963274 722061509 /nfs/dbraw/zinc/06/15/09/722061509.db2.gz VFJSRUNHFSKPHO-UHFFFAOYSA-N 1 0 457.500 4.221 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164970093 722082540 /nfs/dbraw/zinc/08/25/40/722082540.db2.gz UPOMDAOJAVAJIZ-TWJOJJKGSA-N 1 0 480.628 4.412 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974318 722141314 /nfs/dbraw/zinc/14/13/14/722141314.db2.gz DGJZSOHSWUAQGX-GOTSBHOMSA-N 1 0 492.693 4.026 20 0 JIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164975187 722142120 /nfs/dbraw/zinc/14/21/20/722142120.db2.gz FIKLQADGDMLVGN-XUZZJYLKSA-N 1 0 477.996 4.110 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)n2)CCC3)s1 ZINC001164982062 722149268 /nfs/dbraw/zinc/14/92/68/722149268.db2.gz QVGWBIXKWMLMSX-WIYYLYMNSA-N 1 0 482.053 4.470 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)n2)CCC3)s1 ZINC001164982048 722149750 /nfs/dbraw/zinc/14/97/50/722149750.db2.gz QVGWBIXKWMLMSX-GHTZIAJQSA-N 1 0 482.053 4.470 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164976295 722154604 /nfs/dbraw/zinc/15/46/04/722154604.db2.gz WNNVMZGKMBTRTR-NZQKXSOJSA-N 1 0 465.985 4.353 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(N4CCN(c5ccccc5)CC4)ncn2)C3)c1 ZINC001164997975 722210931 /nfs/dbraw/zinc/21/09/31/722210931.db2.gz UAAORPIJRQHBNS-NDEPHWFRSA-N 1 0 472.612 4.187 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)cc1 ZINC001165002382 722254950 /nfs/dbraw/zinc/25/49/50/722254950.db2.gz OMPRVOUMAFDPNM-UHFFFAOYSA-N 1 0 456.594 4.290 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001492592118 1069316926 /nfs/dbraw/zinc/31/69/26/1069316926.db2.gz CGJNIIQQYYLWSS-NZQKXSOJSA-N 1 0 498.672 4.014 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300647093 1069322904 /nfs/dbraw/zinc/32/29/04/1069322904.db2.gz AUYXYIBSNSCONO-YADHBBJMSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492593324 1069326798 /nfs/dbraw/zinc/32/67/98/1069326798.db2.gz JRLHHHUURVCBCX-SFTDATJTSA-N 1 0 453.656 4.375 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300650408 1069332032 /nfs/dbraw/zinc/33/20/32/1069332032.db2.gz XPHSYTLORAWKOY-VWLOTQADSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1CC[NH+]1CCCCC1 ZINC001300651347 1069335354 /nfs/dbraw/zinc/33/53/54/1069335354.db2.gz XJSXBZZYTLKDGK-FQEVSTJZSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[C@@H]1CCCCO1 ZINC001300652048 1069338503 /nfs/dbraw/zinc/33/85/03/1069338503.db2.gz JURWRGJJOMUSDB-NRFANRHFSA-N 1 0 471.646 4.136 20 0 JIADRO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CCN(c2cc[nH+]cc2)CC1 ZINC001200708114 1069344398 /nfs/dbraw/zinc/34/43/98/1069344398.db2.gz JWKRGSMDNVXNKR-UHFFFAOYSA-N 1 0 461.307 4.262 20 0 JIADRO C[NH+]1CCN(c2cncc(NC(=S)Nc3ccc(Br)cc3OC(F)(F)F)c2)CC1 ZINC001200708219 1069345032 /nfs/dbraw/zinc/34/50/32/1069345032.db2.gz HYFJNJZXBYJUQC-UHFFFAOYSA-N 1 0 490.349 4.303 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(Br)cc3OC(F)(F)F)cn2)CC1 ZINC001200709149 1069347339 /nfs/dbraw/zinc/34/73/39/1069347339.db2.gz WUGDYOOPJVSPBM-UHFFFAOYSA-N 1 0 490.349 4.303 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300661832 1069375424 /nfs/dbraw/zinc/37/54/24/1069375424.db2.gz YBGDSFYVUAXBAL-PMACEKPBSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300663080 1069380393 /nfs/dbraw/zinc/38/03/93/1069380393.db2.gz WBGCQOYFGGVVIK-ROSOWXQZSA-N 1 0 471.646 4.164 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300668354 1069393665 /nfs/dbraw/zinc/39/36/65/1069393665.db2.gz YJKMBQSOCWSMJX-RTWAWAEBSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300668355 1069393900 /nfs/dbraw/zinc/39/39/00/1069393900.db2.gz YJKMBQSOCWSMJX-SFTDATJTSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(C)(F)F ZINC001300669969 1069399144 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DURGOSWGQLDMKL-OAQYLSRUSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nnc(C)s1 ZINC001300676914 1069428022 /nfs/dbraw/zinc/42/80/22/1069428022.db2.gz JDVJMZGSCCGOJW-UHFFFAOYSA-N 1 0 487.699 4.098 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353733 1069436804 /nfs/dbraw/zinc/43/68/04/1069436804.db2.gz LKCSRBUYUACERG-VWLOTQADSA-N 1 0 480.701 4.226 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001359358129 1069449673 /nfs/dbraw/zinc/44/96/73/1069449673.db2.gz UHYDQOPUURAADY-QUCCMNQESA-N 1 0 479.044 4.019 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001359358050 1069449726 /nfs/dbraw/zinc/44/97/26/1069449726.db2.gz SLVWSXLZSMOMQG-QHCPKHFHSA-N 1 0 466.674 4.213 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359361780 1069453309 /nfs/dbraw/zinc/45/33/09/1069453309.db2.gz 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CC(C)(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359585172 1070014051 /nfs/dbraw/zinc/01/40/51/1070014051.db2.gz UAEBYTGVGUAQIP-HXUWFJFHSA-N 1 0 492.709 4.128 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[NH+]1CCCC1 ZINC001359591734 1070031563 /nfs/dbraw/zinc/03/15/63/1070031563.db2.gz GZHSVCNLHQHLCA-RTBURBONSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccs2)CC1)C(F)(F)F ZINC001359597183 1070050770 /nfs/dbraw/zinc/05/07/70/1070050770.db2.gz HJQRJMGYGUJLNM-UHFFFAOYSA-N 1 0 464.561 4.236 20 0 JIADRO CC(C)=CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C[C@H]1CCCCO1 ZINC001359612467 1070075936 /nfs/dbraw/zinc/07/59/36/1070075936.db2.gz QWJIUHUEJZVPMY-RUZDIDTESA-N 1 0 466.674 4.004 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(Cn3ccc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359616030 1070085246 /nfs/dbraw/zinc/08/52/46/1070085246.db2.gz IJYDAANBCUNFNJ-UHFFFAOYSA-N 1 0 493.700 4.095 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359622445 1070098851 /nfs/dbraw/zinc/09/88/51/1070098851.db2.gz BBYNWCYRIYDLLU-JOCHJYFZSA-N 1 0 460.711 4.264 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359625608 1070114095 /nfs/dbraw/zinc/11/40/95/1070114095.db2.gz NYCFSBHUTYYYIM-OAQYLSRUSA-N 1 0 458.676 4.041 20 0 JIADRO CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359632171 1070151797 /nfs/dbraw/zinc/15/17/97/1070151797.db2.gz AAEOKVBVCFHCTA-XMMPIXPASA-N 1 0 498.691 4.263 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001359655164 1070223264 /nfs/dbraw/zinc/22/32/64/1070223264.db2.gz QEGCGULIZDZJJX-IBGZPJMESA-N 1 0 486.730 4.073 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359655967 1070231404 /nfs/dbraw/zinc/23/14/04/1070231404.db2.gz HBJRAVSLELIURF-SFTDATJTSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001359659382 1070265070 /nfs/dbraw/zinc/26/50/70/1070265070.db2.gz VUKVGDRMMMFYPM-OXQOHEQNSA-N 1 0 479.456 4.039 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660237 1070270530 /nfs/dbraw/zinc/27/05/30/1070270530.db2.gz LYIGDDFLVNMVQD-REWPJTCUSA-N 1 0 484.664 4.336 20 0 JIADRO CC(C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCCC1 ZINC001359661884 1070279596 /nfs/dbraw/zinc/27/95/96/1070279596.db2.gz QDHHFOPVBGHLEQ-PKTZIBPZSA-N 1 0 459.610 4.294 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCCC1 ZINC001359663013 1070286557 /nfs/dbraw/zinc/28/65/57/1070286557.db2.gz JLRPKOONCGYYRT-HXUWFJFHSA-N 1 0 492.018 4.291 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001359665900 1070298968 /nfs/dbraw/zinc/29/89/68/1070298968.db2.gz IGRLVSXYJJFHJU-NRFANRHFSA-N 1 0 461.651 4.448 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666409 1070301823 /nfs/dbraw/zinc/30/18/23/1070301823.db2.gz TYLHXKVSTVCEDA-QHCPKHFHSA-N 1 0 466.674 4.049 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665791 1070298138 /nfs/dbraw/zinc/29/81/38/1070298138.db2.gz GOTRCENMPNXIBF-OAQYLSRUSA-N 1 0 472.703 4.156 20 0 JIADRO CC(C)c1nc([C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)C[NH+](C)C)C2)no1 ZINC001359670868 1070314614 /nfs/dbraw/zinc/31/46/14/1070314614.db2.gz CRWLPDLESCPMEZ-HXUWFJFHSA-N 1 0 483.636 4.486 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)o1 ZINC001359675674 1070329638 /nfs/dbraw/zinc/32/96/38/1070329638.db2.gz RETXWHUJRMMDSC-MOPGFXCFSA-N 1 0 487.674 4.315 20 0 JIADRO CC(C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359681927 1070338263 /nfs/dbraw/zinc/33/82/63/1070338263.db2.gz XEJUSFKPBFXMKG-UHFFFAOYSA-N 1 0 467.515 4.061 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001359691121 1070348090 /nfs/dbraw/zinc/34/80/90/1070348090.db2.gz BPFJAPGBRRLCCK-UHFFFAOYSA-N 1 0 496.059 4.415 20 0 JIADRO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359692342 1070350837 /nfs/dbraw/zinc/35/08/37/1070350837.db2.gz MRBQDECJUFEBGY-NRFANRHFSA-N 1 0 489.652 4.293 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359692786 1070352741 /nfs/dbraw/zinc/35/27/41/1070352741.db2.gz YGTGTASTIAGGEX-ACRUOGEOSA-N 1 0 462.683 4.406 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001359692747 1070352886 /nfs/dbraw/zinc/35/28/86/1070352886.db2.gz XAXQNNNSOYNYFO-UHFFFAOYSA-N 1 0 488.627 4.206 20 0 JIADRO CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCSCc1ccccc1F ZINC001359699293 1070360961 /nfs/dbraw/zinc/36/09/61/1070360961.db2.gz BBESMFQHJIDBOT-JOCHJYFZSA-N 1 0 474.694 4.079 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359705239 1070370804 /nfs/dbraw/zinc/37/08/04/1070370804.db2.gz AEDXXTWTHAVOIU-NFBKMPQASA-N 1 0 466.674 4.274 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCOCC(F)(F)C(F)F ZINC001359706724 1070372896 /nfs/dbraw/zinc/37/28/96/1070372896.db2.gz FXWDLQJBADCPBC-ZWKOTPCHSA-N 1 0 463.564 4.409 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706870 1070373580 /nfs/dbraw/zinc/37/35/80/1070373580.db2.gz IOVPPISJWAEQJB-VWNXMTODSA-N 1 0 480.701 4.437 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001359707358 1070374423 /nfs/dbraw/zinc/37/44/23/1070374423.db2.gz RFOFBYCJZJUKET-HXUWFJFHSA-N 1 0 450.672 4.356 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359711341 1070379068 /nfs/dbraw/zinc/37/90/68/1070379068.db2.gz BXRHLKMMUPQUHA-JOCHJYFZSA-N 1 0 458.695 4.141 20 0 JIADRO 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COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(OC)c1OC ZINC001315468592 1064303122 /nfs/dbraw/zinc/30/31/22/1064303122.db2.gz JRYDSDLBCWFWAB-FQEVSTJZSA-N 1 0 499.700 4.446 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC001315475235 1064323308 /nfs/dbraw/zinc/32/33/08/1064323308.db2.gz LRGMRKABXDCHCB-RTWAWAEBSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001315476807 1064328337 /nfs/dbraw/zinc/32/83/37/1064328337.db2.gz HUXCKBWSRWBNHT-FQEVSTJZSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001315481114 1064341511 /nfs/dbraw/zinc/34/15/11/1064341511.db2.gz XSVJHLYOVQRZFQ-JOCHJYFZSA-N 1 0 462.642 4.338 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1O ZINC001315481253 1064342239 /nfs/dbraw/zinc/34/22/39/1064342239.db2.gz ZOMAARHZSVOYNI-WOJBJXKFSA-N 1 0 485.673 4.249 20 0 JIADRO 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COc1ccc(Cl)cc1CN(C)c1nnc(C(C)(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315510887 1064444312 /nfs/dbraw/zinc/44/43/12/1064444312.db2.gz DVAOKHZJEQSQLU-HXUWFJFHSA-N 1 0 464.054 4.231 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315520774 1064483844 /nfs/dbraw/zinc/48/38/44/1064483844.db2.gz VMULLCLZJISEIC-NRFANRHFSA-N 1 0 478.641 4.374 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001315521049 1064484633 /nfs/dbraw/zinc/48/46/33/1064484633.db2.gz WHCUGPQIFUZYQB-UHFFFAOYSA-N 1 0 486.567 4.227 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001315524979 1064499342 /nfs/dbraw/zinc/49/93/42/1064499342.db2.gz BYTVKQPEZNILMK-UHFFFAOYSA-N 1 0 466.630 4.448 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001315528048 1064506260 /nfs/dbraw/zinc/50/62/60/1064506260.db2.gz DZCKACWCGOYJBU-LVCYWYKZSA-N 1 0 471.627 4.092 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=CCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315528523 1064508000 /nfs/dbraw/zinc/50/80/00/1064508000.db2.gz KIEQHABLYKMCTE-SZPZYZBQSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001315529376 1064511044 /nfs/dbraw/zinc/51/10/44/1064511044.db2.gz VXSHXNNHURRAEM-SANMLTNESA-N 1 0 485.698 4.486 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001315529375 1064511119 /nfs/dbraw/zinc/51/11/19/1064511119.db2.gz VXSHXNNHURRAEM-AREMUKBSSA-N 1 0 485.698 4.486 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCC[C@H](SC)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001315530282 1064513329 /nfs/dbraw/zinc/51/33/29/1064513329.db2.gz CQGRIONKCVGCSI-OFNKIYASSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001315538549 1064533088 /nfs/dbraw/zinc/53/30/88/1064533088.db2.gz BWYHDJBNMVDZET-RBBKRZOGSA-N 1 0 478.641 4.293 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315539336 1064533996 /nfs/dbraw/zinc/53/39/96/1064533996.db2.gz SULOHSHMPXXREJ-SFTDATJTSA-N 1 0 493.656 4.015 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001315545107 1064548741 /nfs/dbraw/zinc/54/87/41/1064548741.db2.gz LDXRYEXVCGVTRU-QHCPKHFHSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)[NH+](C)C)c1 ZINC001315546116 1064552554 /nfs/dbraw/zinc/55/25/54/1064552554.db2.gz FTVJOEFJHUHAMO-FFZOFVMBSA-N 1 0 483.579 4.334 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)[NH+](C)C)c1 ZINC001315546251 1064553256 /nfs/dbraw/zinc/55/32/56/1064553256.db2.gz GRTPSZAZWBTPLP-SIKLNZKXSA-N 1 0 470.568 4.442 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)[NH+](C)C)c1 ZINC001315546241 1064553349 /nfs/dbraw/zinc/55/33/49/1064553349.db2.gz GNGQTQWENGWNLW-XPNTWCBSSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CC3)nnc2N2CCC(C)=C(Br)C2)[NH+](C)C)c1 ZINC001315547600 1064557073 /nfs/dbraw/zinc/55/70/73/1064557073.db2.gz RYOOYMGDJUGAGF-FQEVSTJZSA-N 1 0 460.420 4.346 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCOC(C)(C)[C@H]2C)[NH+]2CCCC2)c1 ZINC001315547612 1064557666 /nfs/dbraw/zinc/55/76/66/1064557666.db2.gz SIVXYYWHDTUQIW-NFBKMPQASA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2nccs2)[NH+](C)C)c1 ZINC001315547685 1064557686 /nfs/dbraw/zinc/55/76/86/1064557686.db2.gz UDZBEGNYECNRNE-QFIPXVFZSA-N 1 0 477.638 4.095 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)[C@@H](F)C2)[NH+](C)C)c1 ZINC001315547950 1064558458 /nfs/dbraw/zinc/55/84/58/1064558458.db2.gz VGBWXEBEDQCMLR-HEFCMCLBSA-N 1 0 491.409 4.141 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(OC)C2)[NH+](C)C)c1 ZINC001315548048 1064559477 /nfs/dbraw/zinc/55/94/77/1064559477.db2.gz FQMVXIMQCUBWEY-BVAGGSTKSA-N 1 0 455.647 4.328 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](C)CC2)[NH+](C)C)c1 ZINC001315548427 1064560477 /nfs/dbraw/zinc/56/04/77/1064560477.db2.gz IOKHSLFOTWHVFN-DVECYGJZSA-N 1 0 465.646 4.078 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315549370 1064563649 /nfs/dbraw/zinc/56/36/49/1064563649.db2.gz NHUCXNXIUFSEFS-SFTDATJTSA-N 1 0 465.646 4.082 20 0 JIADRO COc1cccc([C@H](Cn2c(N3C[C@H](C)OC(C)(C)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549485 1064564202 /nfs/dbraw/zinc/56/42/02/1064564202.db2.gz QQXKIVDKEPDSAN-UGKGYDQZSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCCCCCC2)[NH+](C)C)c1 ZINC001315550546 1064566645 /nfs/dbraw/zinc/56/66/45/1064566645.db2.gz WPESCHKXOUZTGN-DEOSSOPVSA-N 1 0 465.646 4.222 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+](C)C(C)C)c1 ZINC001315552951 1064569746 /nfs/dbraw/zinc/56/97/46/1064569746.db2.gz WKTOZPCVBOCVAC-UHFFFAOYSA-N 1 0 468.549 4.406 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315553044 1064570203 /nfs/dbraw/zinc/57/02/03/1064570203.db2.gz AVHHMKCFOZOXQF-OREGWCPLSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315553890 1064571544 /nfs/dbraw/zinc/57/15/44/1064571544.db2.gz LUTBZOLLLXDXDU-REWPJTCUSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315555887 1064574425 /nfs/dbraw/zinc/57/44/25/1064574425.db2.gz MZWHLFCXFQRURT-GOTSBHOMSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315556534 1064575710 /nfs/dbraw/zinc/57/57/10/1064575710.db2.gz LSGVJIJJORSFML-MHZLTWQESA-N 1 0 485.673 4.237 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001315558126 1064579985 /nfs/dbraw/zinc/57/99/85/1064579985.db2.gz WBPDDGHKQYDCJW-PMACEKPBSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001315564993 1064595639 /nfs/dbraw/zinc/59/56/39/1064595639.db2.gz ZMAGNGUIPZWIIH-AREMUKBSSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315567673 1064600749 /nfs/dbraw/zinc/60/07/49/1064600749.db2.gz RTETVOOUGCCPQP-MZKRTTBSSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001315568192 1064603385 /nfs/dbraw/zinc/60/33/85/1064603385.db2.gz UOYQMJRMCNACGM-IRLDBZIGSA-N 1 0 455.628 4.427 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315568194 1064603516 /nfs/dbraw/zinc/60/35/16/1064603516.db2.gz UOYQMJRMCNACGM-UNMCSNQZSA-N 1 0 455.628 4.427 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315571052 1064615017 /nfs/dbraw/zinc/61/50/17/1064615017.db2.gz NWDPWADKBIEHIV-HFMPRLQTSA-N 1 0 482.673 4.134 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001315572154 1064619138 /nfs/dbraw/zinc/61/91/38/1064619138.db2.gz SJKBCTJSXQQQSQ-GBXCKJPGSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCC(C)CC3)CCO2)c1 ZINC001315573779 1064625595 /nfs/dbraw/zinc/62/55/95/1064625595.db2.gz SZANZZGRXVMBNM-DEOSSOPVSA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CCO2)c1 ZINC001315573770 1064625710 /nfs/dbraw/zinc/62/57/10/1064625710.db2.gz SKNBYCOFTWJICY-LGVFNWMJSA-N 1 0 499.700 4.341 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001315576641 1064633815 /nfs/dbraw/zinc/63/38/15/1064633815.db2.gz LXKUFMOOIVEISL-NRFANRHFSA-N 1 0 450.612 4.293 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315577109 1064635595 /nfs/dbraw/zinc/63/55/95/1064635595.db2.gz YRMUMCHBFXNZIN-WNCULLNHSA-N 1 0 485.673 4.084 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)c1 ZINC001315578304 1064639409 /nfs/dbraw/zinc/63/94/09/1064639409.db2.gz JWNCSFOOHLQBHY-QFIPXVFZSA-N 1 0 498.672 4.133 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315582482 1064650411 /nfs/dbraw/zinc/65/04/11/1064650411.db2.gz AXSPWKZOAVCMIU-HXUWFJFHSA-N 1 0 458.626 4.140 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001315583284 1064654213 /nfs/dbraw/zinc/65/42/13/1064654213.db2.gz ZMPTZTDWKHDMTG-FYYLOGMGSA-N 1 0 457.663 4.356 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001315586946 1064666809 /nfs/dbraw/zinc/66/68/09/1064666809.db2.gz QJBMCXHPRQAVBX-OAQYLSRUSA-N 1 0 455.647 4.407 20 0 JIADRO COc1cccc(OCCN2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC001315590091 1064676586 /nfs/dbraw/zinc/67/65/86/1064676586.db2.gz JTGHBPFKPUWHEW-QHCPKHFHSA-N 1 0 498.716 4.050 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315592220 1064684126 /nfs/dbraw/zinc/68/41/26/1064684126.db2.gz VNENYAPWMFMOLL-XMMPIXPASA-N 1 0 479.673 4.451 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001315593519 1064688280 /nfs/dbraw/zinc/68/82/80/1064688280.db2.gz IGADHQKUTRKGGF-UHFFFAOYSA-N 1 0 463.573 4.080 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315596361 1064697313 /nfs/dbraw/zinc/69/73/13/1064697313.db2.gz IZXNPGOXXSBPJV-YKSBVNFPSA-N 1 0 455.647 4.466 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001315602292 1064711670 /nfs/dbraw/zinc/71/16/70/1064711670.db2.gz WXQXUTAJFHPCEA-DEOSSOPVSA-N 1 0 485.673 4.096 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315603163 1064714681 /nfs/dbraw/zinc/71/46/81/1064714681.db2.gz ATIQAAPBQLELCE-RLWLMLJZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCOc1ccc(Cl)cn1 ZINC001315604868 1064718615 /nfs/dbraw/zinc/71/86/15/1064718615.db2.gz OGUZANUPSVUERE-UHFFFAOYSA-N 1 0 471.005 4.002 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCSC(C)C ZINC001315607879 1064725757 /nfs/dbraw/zinc/72/57/57/1064725757.db2.gz RLDSUQLMZMUQLS-FGZHOGPDSA-N 1 0 486.730 4.090 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315607975 1064726357 /nfs/dbraw/zinc/72/63/57/1064726357.db2.gz VBFNGVMKNXAMIV-HXUWFJFHSA-N 1 0 494.606 4.150 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC(C)C ZINC001315607950 1064726453 /nfs/dbraw/zinc/72/64/53/1064726453.db2.gz TUQGCCUAOQXPCU-UHFFFAOYSA-N 1 0 468.690 4.385 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001315608247 1064727010 /nfs/dbraw/zinc/72/70/10/1064727010.db2.gz WDPWNRRFZYVNIW-DENIHFKCSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315609204 1064728326 /nfs/dbraw/zinc/72/83/26/1064728326.db2.gz KOWQCUILXPOWGE-XLIONFOSSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315610383 1064729864 /nfs/dbraw/zinc/72/98/64/1064729864.db2.gz WBSORVJRNCPIGB-QFIPXVFZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001315613500 1064737183 /nfs/dbraw/zinc/73/71/83/1064737183.db2.gz PLVVVGCEMBNALQ-YADHBBJMSA-N 1 0 469.674 4.106 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315614560 1064738495 /nfs/dbraw/zinc/73/84/95/1064738495.db2.gz WLBBXQAUYPLROK-HXUWFJFHSA-N 1 0 465.646 4.019 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315614007 1064738636 /nfs/dbraw/zinc/73/86/36/1064738636.db2.gz AYWYRUNNLHCGKU-UPVQGACJSA-N 1 0 493.700 4.336 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(F)(F)F)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001315616085 1064742625 /nfs/dbraw/zinc/74/26/25/1064742625.db2.gz QUSDWYKRESJCEP-SFHVURJKSA-N 1 0 463.504 4.306 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315616842 1064745167 /nfs/dbraw/zinc/74/51/67/1064745167.db2.gz VFXLTBNCUWDKRR-GGAORHGYSA-N 1 0 469.674 4.128 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315618657 1064750063 /nfs/dbraw/zinc/75/00/63/1064750063.db2.gz YHQPQRKJGIYZNC-PQNGQFLHSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315623119 1064760775 /nfs/dbraw/zinc/76/07/75/1064760775.db2.gz UVWUEZGTIMFRRV-NBGIEHNGSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCSC(C)C ZINC001315625268 1064766725 /nfs/dbraw/zinc/76/67/25/1064766725.db2.gz INFHHTJIAHSVTL-UHFFFAOYSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](OC)C(C)C ZINC001315625584 1064767413 /nfs/dbraw/zinc/76/74/13/1064767413.db2.gz MAYKHSQNOTYWQD-DEOSSOPVSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](OC)C(C)C ZINC001315627288 1064772550 /nfs/dbraw/zinc/77/25/50/1064772550.db2.gz KGFQXWXGJAXVJL-OZXSUGGESA-N 1 0 483.701 4.497 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001315628921 1064776511 /nfs/dbraw/zinc/77/65/11/1064776511.db2.gz AUVDFWNTQKCNPZ-NRFANRHFSA-N 1 0 497.606 4.403 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315630651 1064781368 /nfs/dbraw/zinc/78/13/68/1064781368.db2.gz BOALAZJCTGNCBP-RBBKRZOGSA-N 1 0 469.655 4.103 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001315633136 1064786979 /nfs/dbraw/zinc/78/69/79/1064786979.db2.gz WFIRLXXGOBEHLF-SIBVEZHUSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315639681 1064800487 /nfs/dbraw/zinc/80/04/87/1064800487.db2.gz PZMXREYEGXFGAJ-MOPGFXCFSA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H](C)[NH+](C)C ZINC001315648087 1064823109 /nfs/dbraw/zinc/82/31/09/1064823109.db2.gz RLSZMWBLDDSDCS-HNNXBMFYSA-N 1 0 494.459 4.276 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315648288 1064823729 /nfs/dbraw/zinc/82/37/29/1064823729.db2.gz RNTOSXGGOSYZJY-GOSISDBHSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cscn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315649006 1064825668 /nfs/dbraw/zinc/82/56/68/1064825668.db2.gz XBQFQNNPIFHEKD-LJQANCHMSA-N 1 0 484.670 4.469 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001315654917 1064842934 /nfs/dbraw/zinc/84/29/34/1064842934.db2.gz FGIZOSJWMFOWJA-OAQYLSRUSA-N 1 0 461.676 4.174 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315658794 1064853146 /nfs/dbraw/zinc/85/31/46/1064853146.db2.gz QLRGVEOBJNODDZ-PZJWPPBQSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315661618 1064862022 /nfs/dbraw/zinc/86/20/22/1064862022.db2.gz LPOMXBKQLRBYLX-HKBOAZHASA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315666903 1064885304 /nfs/dbraw/zinc/88/53/04/1064885304.db2.gz AIPRIFJEPNKWDV-DFIYOIEZSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315668497 1064892046 /nfs/dbraw/zinc/89/20/46/1064892046.db2.gz OEOLKHXOVKHLHE-QHAWAJNXSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ncccc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315675408 1064909990 /nfs/dbraw/zinc/90/99/90/1064909990.db2.gz YUFXJUAXOCTTTQ-UHFFFAOYSA-N 1 0 478.641 4.236 20 0 JIADRO COC1CCC(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001315683599 1064932103 /nfs/dbraw/zinc/93/21/03/1064932103.db2.gz NOKXEEHMZJVWNE-UHFFFAOYSA-N 1 0 455.647 4.210 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001315690744 1064946618 /nfs/dbraw/zinc/94/66/18/1064946618.db2.gz GBAAUYQAKVPIOX-GEQKSPFYSA-N 1 0 493.494 4.172 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315695843 1064956507 /nfs/dbraw/zinc/95/65/07/1064956507.db2.gz IJCMLJBQWCXTGC-MRXNPFEDSA-N 1 0 468.465 4.116 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001315698712 1064962435 /nfs/dbraw/zinc/96/24/35/1064962435.db2.gz XPYXGJAJXAIFBF-QFBILLFUSA-N 1 0 492.393 4.358 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315702530 1064966912 /nfs/dbraw/zinc/96/69/12/1064966912.db2.gz HJXLXQSYJOTFQG-GIFXNVAJSA-N 1 0 453.675 4.437 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001315703318 1064968095 /nfs/dbraw/zinc/96/80/95/1064968095.db2.gz JHULEVXQSZWUTR-IBGZPJMESA-N 1 0 455.647 4.208 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001315703865 1064969504 /nfs/dbraw/zinc/96/95/04/1064969504.db2.gz NBSJOMOIBHIHCX-IBGZPJMESA-N 1 0 455.651 4.030 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001315704649 1064972479 /nfs/dbraw/zinc/97/24/79/1064972479.db2.gz INFRXOHOHUSNET-UHFFFAOYSA-N 1 0 485.526 4.281 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001315704950 1064973060 /nfs/dbraw/zinc/97/30/60/1064973060.db2.gz LIEWGMHRCFOIQA-UHFFFAOYSA-N 1 0 487.664 4.291 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001315705532 1064975080 /nfs/dbraw/zinc/97/50/80/1064975080.db2.gz PGTBRBULGAWUHR-NRFANRHFSA-N 1 0 460.692 4.148 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001315706018 1064976802 /nfs/dbraw/zinc/97/68/02/1064976802.db2.gz QPHXQEXCAIDRKR-UZLBHIALSA-N 1 0 450.002 4.282 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001315706398 1064977379 /nfs/dbraw/zinc/97/73/79/1064977379.db2.gz WGSBRDIYHRXWQG-FQEVSTJZSA-N 1 0 487.693 4.256 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001315706693 1064978723 /nfs/dbraw/zinc/97/87/23/1064978723.db2.gz VWGQJOQOTSJBAG-RUZDIDTESA-N 1 0 483.701 4.318 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001315706760 1064979398 /nfs/dbraw/zinc/97/93/98/1064979398.db2.gz YLBAFRIAAXALSV-HSZRJFAPSA-N 1 0 499.700 4.485 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCCC2)C1 ZINC001315707070 1064979932 /nfs/dbraw/zinc/97/99/32/1064979932.db2.gz YCAPRYALODPGNC-JOCHJYFZSA-N 1 0 455.647 4.390 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001315707260 1064980761 /nfs/dbraw/zinc/98/07/61/1064980761.db2.gz WXDUWSMLTIIDQJ-UHFFFAOYSA-N 1 0 474.447 4.323 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315707703 1064982074 /nfs/dbraw/zinc/98/20/74/1064982074.db2.gz OHKQWTZOSWGYPV-RTWAWAEBSA-N 1 0 490.693 4.087 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001315712671 1064994622 /nfs/dbraw/zinc/99/46/22/1064994622.db2.gz LNPBWVLIWNAEGJ-YLJYHZDGSA-N 1 0 493.494 4.409 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)CC[C@H]1C ZINC001315712711 1064995417 /nfs/dbraw/zinc/99/54/17/1064995417.db2.gz MAJZLCNMIYMFLK-ZWDAVXSWSA-N 1 0 494.503 4.006 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[C@@H]1C ZINC001315713461 1064999244 /nfs/dbraw/zinc/99/92/44/1064999244.db2.gz GLAGNQBFOSXBQP-ZLGUVYLKSA-N 1 0 472.996 4.297 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)CC[C@@H]1C ZINC001315713673 1064999542 /nfs/dbraw/zinc/99/95/42/1064999542.db2.gz CGRBNFIQKZTZAJ-ZLGUVYLKSA-N 1 0 476.463 4.217 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001315713712 1065000209 /nfs/dbraw/zinc/00/02/09/1065000209.db2.gz CPSMPFSCJTZFSE-RXVVDRJESA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC[C@@H]1C ZINC001315717528 1065010028 /nfs/dbraw/zinc/01/00/28/1065010028.db2.gz JHVXBJJVEUSDOW-GBXCKJPGSA-N 1 0 452.647 4.417 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC[C@@H]1C ZINC001315718023 1065010793 /nfs/dbraw/zinc/01/07/93/1065010793.db2.gz QSZHUYZDZGEFCZ-RYQLBKOJSA-N 1 0 461.035 4.219 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCC(C)CC2)CC1(C)C ZINC001315718046 1065011063 /nfs/dbraw/zinc/01/10/63/1065011063.db2.gz YUWFDMVSRMWYEP-IBGZPJMESA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC[NH+](C(C)C)C(C)C)CC1(C)C ZINC001315720815 1065015962 /nfs/dbraw/zinc/01/59/62/1065015962.db2.gz UZFWUXVTOULNJP-QFIPXVFZSA-N 1 0 450.631 4.473 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H](c2ccco2)[NH+](C)C)CC[C@H]1C ZINC001315720856 1065016178 /nfs/dbraw/zinc/01/61/78/1065016178.db2.gz VEMPHADSUWJAQO-OZOXKJRCSA-N 1 0 488.430 4.465 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315729093 1065026207 /nfs/dbraw/zinc/02/62/07/1065026207.db2.gz CXGGYIDXVDKTDW-FCHUYYIVSA-N 1 0 469.655 4.125 20 0 JIADRO CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[C@H]1C ZINC001315729662 1065026902 /nfs/dbraw/zinc/02/69/02/1065026902.db2.gz GICNMCGEXPEKRM-VWBWNGLSSA-N 1 0 453.675 4.293 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001315734573 1065034691 /nfs/dbraw/zinc/03/46/91/1065034691.db2.gz JFMZBRYXZPQKIM-NHCICSSKSA-N 1 0 455.647 4.067 20 0 JIADRO 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CON(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316303661 1066064248 /nfs/dbraw/zinc/06/42/48/1066064248.db2.gz ZAOOQSDJPAOICG-GASCZTMLSA-N 1 0 450.008 4.310 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001316315058 1066071260 /nfs/dbraw/zinc/07/12/60/1066071260.db2.gz XFXSVPPMFUVMGC-HXUWFJFHSA-N 1 0 462.436 4.199 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316323071 1066079196 /nfs/dbraw/zinc/07/91/96/1066079196.db2.gz WEBJFARTPNXLLQ-MOXWOTFGSA-N 1 0 492.064 4.184 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1OC ZINC001316330546 1066086490 /nfs/dbraw/zinc/08/64/90/1066086490.db2.gz WUPYLWYANPIOCY-VNHKHXMHSA-N 1 0 492.064 4.044 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001316330382 1066086593 /nfs/dbraw/zinc/08/65/93/1066086593.db2.gz JPOUHONOXZDCHI-ZRBLBEILSA-N 1 0 469.674 4.213 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@@H]1OC ZINC001316331982 1066087878 /nfs/dbraw/zinc/08/78/78/1066087878.db2.gz VYWPNVIFEMAYDU-KLDKWKSESA-N 1 0 494.055 4.344 20 0 JIADRO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316337822 1066092434 /nfs/dbraw/zinc/09/24/34/1066092434.db2.gz UXQKAQBGMXTWBB-OAQYLSRUSA-N 1 0 491.677 4.144 20 0 JIADRO CSC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316363332 1066099559 /nfs/dbraw/zinc/09/95/59/1066099559.db2.gz KLFLIVUYMXZDPQ-OAQYLSRUSA-N 1 0 487.714 4.478 20 0 JIADRO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001316391263 1066164525 /nfs/dbraw/zinc/16/45/25/1066164525.db2.gz IATHZBSXJMAZIQ-UEVCKROQSA-N 1 0 490.762 4.092 20 0 JIADRO CS[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC1)C(C)(C)C ZINC001316395382 1066171672 /nfs/dbraw/zinc/17/16/72/1066171672.db2.gz OACWAROOUVBWOB-QHCPKHFHSA-N 1 0 470.731 4.409 20 0 JIADRO CS[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316398575 1066176307 /nfs/dbraw/zinc/17/63/07/1066176307.db2.gz PNOAQJFAOMTHDR-QHCPKHFHSA-N 1 0 485.746 4.113 20 0 JIADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@H]2C)CC[NH+](C)CC1 ZINC001316401449 1066179378 /nfs/dbraw/zinc/17/93/78/1066179378.db2.gz BCCRKHOZJVZSSY-HUUCEWRRSA-N 1 0 499.548 4.193 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001316402962 1066182373 /nfs/dbraw/zinc/18/23/73/1066182373.db2.gz DJOHNLDUALJMRW-UHFFFAOYSA-N 1 0 464.079 4.289 20 0 JIADRO CSC1(Cn2c(-c3ccccc3C)nnc2N(C)CCc2nccs2)CC[NH+](C)CC1 ZINC001316405110 1066187890 /nfs/dbraw/zinc/18/78/90/1066187890.db2.gz WUQFYXTXMCUAEV-UHFFFAOYSA-N 1 0 456.685 4.216 20 0 JIADRO CSC1(Cn2c(Cc3cccnc3)nnc2N(C)CCCc2ccccc2)CC[NH+](C)CC1 ZINC001316407876 1066191581 /nfs/dbraw/zinc/19/15/81/1066191581.db2.gz GRNKSYCDXRGYBB-UHFFFAOYSA-N 1 0 464.683 4.160 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316408169 1066192235 /nfs/dbraw/zinc/19/22/35/1066192235.db2.gz PBDINNIVIFITBB-LJQANCHMSA-N 1 0 494.750 4.188 20 0 JIADRO CSC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CCC(F)F)CC[NH+](C)CC1 ZINC001316409468 1066194763 /nfs/dbraw/zinc/19/47/63/1066194763.db2.gz CDZNSRNEDWELCN-UHFFFAOYSA-N 1 0 467.630 4.393 20 0 JIADRO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)CC[NH+](C)CC1 ZINC001316410059 1066197219 /nfs/dbraw/zinc/19/72/19/1066197219.db2.gz NIFZAOWYECPWHB-OAQYLSRUSA-N 1 0 494.105 4.343 20 0 JIADRO CSC1(Cn2c(N(C)[C@@H]3CCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001316411591 1066200877 /nfs/dbraw/zinc/20/08/77/1066200877.db2.gz PPLUQVVJKAFWCV-OTPAQWSUSA-N 1 0 479.735 4.161 20 0 JIADRO CSc1cc(C)ccc1Cn1c(N2CC[NH+](CC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001316414109 1066207266 /nfs/dbraw/zinc/20/72/66/1066207266.db2.gz GWMMIKBWBVGESA-AREMUKBSSA-N 1 0 487.714 4.175 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492498751 1066224605 /nfs/dbraw/zinc/22/46/05/1066224605.db2.gz QXGOJCHRCXQWQL-JOCHJYFZSA-N 1 0 454.022 4.454 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001316420864 1066226162 /nfs/dbraw/zinc/22/61/62/1066226162.db2.gz ZSNVSNXCOIUOBR-UHFFFAOYSA-N 1 0 453.660 4.301 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC001324751002 1066228710 /nfs/dbraw/zinc/22/87/10/1066228710.db2.gz TYLOVZVDSQXVGT-WKJFVQFFSA-N 1 0 493.648 4.345 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001316422968 1066233005 /nfs/dbraw/zinc/23/30/05/1066233005.db2.gz KURQSVAKIOBJSF-FUHWJXTLSA-N 1 0 467.481 4.098 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001316423224 1066234059 /nfs/dbraw/zinc/23/40/59/1066234059.db2.gz MMABBPSKTDIPOB-QAPCUYQASA-N 1 0 452.466 4.380 20 0 JIADRO CCS(=O)(=O)Nc1cccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001325093446 1066237678 /nfs/dbraw/zinc/23/76/78/1066237678.db2.gz GSFSCAGSXAWJLW-UHFFFAOYSA-N 1 0 484.449 4.493 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001316424487 1066239688 /nfs/dbraw/zinc/23/96/88/1066239688.db2.gz ARAJQSILQZLOKH-VAMGGRTRSA-N 1 0 451.725 4.476 20 0 JIADRO CS[C@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316425978 1066245057 /nfs/dbraw/zinc/24/50/57/1066245057.db2.gz KUMXUKALFQPKRA-RBUKOAKNSA-N 1 0 453.722 4.069 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316427726 1066253026 /nfs/dbraw/zinc/25/30/26/1066253026.db2.gz UZFBFVSOTQDJBR-AKIFATBCSA-N 1 0 457.688 4.415 20 0 JIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001325500272 1066253135 /nfs/dbraw/zinc/25/31/35/1066253135.db2.gz WDNFGUVXTFJZBK-VRUMLPLGSA-N 1 0 462.638 4.269 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316428578 1066256383 /nfs/dbraw/zinc/25/63/83/1066256383.db2.gz UCSIAMONCXBJHF-ZCNNSNEGSA-N 1 0 457.692 4.214 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492499698 1066260012 /nfs/dbraw/zinc/26/00/12/1066260012.db2.gz VAOBIVMZPPTWJJ-GMWXTNTRSA-N 1 0 480.682 4.143 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccccc1OC)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001325684806 1066261581 /nfs/dbraw/zinc/26/15/81/1066261581.db2.gz OHZDNOZOJWDYBE-UHFFFAOYSA-O 1 0 484.623 4.425 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCc2coc(-c3ccccc3)n2)CC1 ZINC001325740030 1066266888 /nfs/dbraw/zinc/26/68/88/1066266888.db2.gz PKUSKIPTXRXAHB-LJQANCHMSA-N 1 0 465.573 4.226 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001492500167 1066277354 /nfs/dbraw/zinc/27/73/54/1066277354.db2.gz SIQZLLVYMZHUJE-GOSISDBHSA-N 1 0 488.558 4.272 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001316433668 1066279007 /nfs/dbraw/zinc/27/90/07/1066279007.db2.gz JXPDFLBWMGXJCA-RDJZCZTQSA-N 1 0 467.481 4.099 20 0 JIADRO C[N@H+](CCOc1cccc(CNC(=O)C(F)(F)c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC001326043902 1066282753 /nfs/dbraw/zinc/28/27/53/1066282753.db2.gz QEYBBXXZVQGBKS-UHFFFAOYSA-N 1 0 452.929 4.238 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001492500651 1066287088 /nfs/dbraw/zinc/28/70/88/1066287088.db2.gz MEXWNUBZAHDOBW-HXUWFJFHSA-N 1 0 497.616 4.198 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CC1 ZINC001326432287 1066296742 /nfs/dbraw/zinc/29/67/42/1066296742.db2.gz OESKUHRCNHFPNV-UHFFFAOYSA-N 1 0 473.625 4.135 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492502062 1066300472 /nfs/dbraw/zinc/30/04/72/1066300472.db2.gz HUZYRRLIBCYOLU-WOJBJXKFSA-N 1 0 454.663 4.268 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492502438 1066304016 /nfs/dbraw/zinc/30/40/16/1066304016.db2.gz WBZRXSPYBBLTCN-NRFANRHFSA-N 1 0 470.662 4.138 20 0 JIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001326731854 1066304074 /nfs/dbraw/zinc/30/40/74/1066304074.db2.gz LIAFEJUYOQVMJZ-UHFFFAOYSA-N 1 0 462.623 4.005 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001492502562 1066305285 /nfs/dbraw/zinc/30/52/85/1066305285.db2.gz ZZOYHLSSULOVAV-HXUWFJFHSA-N 1 0 487.574 4.248 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+](C)C ZINC001316443665 1066308091 /nfs/dbraw/zinc/30/80/91/1066308091.db2.gz ZGWKSXRNCPYZND-GDBMZVCRSA-N 1 0 458.459 4.446 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316443858 1066309668 /nfs/dbraw/zinc/30/96/68/1066309668.db2.gz IHSSISLSZDWEJT-QZTJIDSGSA-N 1 0 452.068 4.145 20 0 JIADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCN1C(=O)COc2ccccc21 ZINC001327213302 1066313504 /nfs/dbraw/zinc/31/35/04/1066313504.db2.gz RGJVRVSJSXRBAY-UHFFFAOYSA-N 1 0 484.188 4.126 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316448859 1066324693 /nfs/dbraw/zinc/32/46/93/1066324693.db2.gz FYKJRRYZQAHHTM-SFYKDHMMSA-N 1 0 490.743 4.123 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)c4cccs4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492505945 1066325508 /nfs/dbraw/zinc/32/55/08/1066325508.db2.gz GMROYCDIMOLBDC-UHFFFAOYSA-N 1 0 452.628 4.150 20 0 JIADRO Cc1cccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492506581 1066327248 /nfs/dbraw/zinc/32/72/48/1066327248.db2.gz PSIYZLFDOKHFRX-UHFFFAOYSA-N 1 0 465.690 4.105 20 0 JIADRO C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001328636458 1066327933 /nfs/dbraw/zinc/32/79/33/1066327933.db2.gz YLVBLTSNZWLRPQ-AVRDEDQJSA-N 1 0 459.546 4.155 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001328859453 1066330665 /nfs/dbraw/zinc/33/06/65/1066330665.db2.gz ZXCVZWVRESKKFJ-LJQANCHMSA-N 1 0 473.499 4.031 20 0 JIADRO COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)CC2)c(OC)c1 ZINC001329008007 1066332612 /nfs/dbraw/zinc/33/26/12/1066332612.db2.gz FVKPAFZPJBLHPP-UHFFFAOYSA-N 1 0 482.625 4.184 20 0 JIADRO CSCCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316451995 1066333477 /nfs/dbraw/zinc/33/34/77/1066333477.db2.gz QCWTVAAECHSTGY-UHFFFAOYSA-N 1 0 469.497 4.490 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@](O)(c4ccccc4F)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492510955 1066342933 /nfs/dbraw/zinc/34/29/33/1066342933.db2.gz IEUGMFXHCSAXOB-SANMLTNESA-N 1 0 466.605 4.004 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)cc2)CC1 ZINC001329975428 1066345200 /nfs/dbraw/zinc/34/52/00/1066345200.db2.gz YUAALXIHPCLZHR-UHFFFAOYSA-N 1 0 490.482 4.004 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(OC)c(-c4ccccc4)c3)cc2)CC1 ZINC001329973950 1066345324 /nfs/dbraw/zinc/34/53/24/1066345324.db2.gz FIQMHMGFELWLIU-UHFFFAOYSA-N 1 0 473.573 4.300 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001492511841 1066347456 /nfs/dbraw/zinc/34/74/56/1066347456.db2.gz MCLNIUVUGFWUMF-HSZRJFAPSA-N 1 0 495.716 4.292 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492513332 1066353013 /nfs/dbraw/zinc/35/30/13/1066353013.db2.gz AIMYPVIWRZWESF-FCHUYYIVSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492514855 1066357061 /nfs/dbraw/zinc/35/70/61/1066357061.db2.gz VWWGNZBLTSPGFL-IFMALSPDSA-N 1 0 497.688 4.122 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492514856 1066357260 /nfs/dbraw/zinc/35/72/60/1066357260.db2.gz VWWGNZBLTSPGFL-IRLDBZIGSA-N 1 0 497.688 4.122 20 0 JIADRO CSCCCCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001316461315 1066357233 /nfs/dbraw/zinc/35/72/33/1066357233.db2.gz PWSIXOYVEMQREH-NRFANRHFSA-N 1 0 450.656 4.118 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1([NH+](C)C)CCOCC1 ZINC001316465883 1066367651 /nfs/dbraw/zinc/36/76/51/1066367651.db2.gz QTFFTDMDVHCZPO-GOSISDBHSA-N 1 0 477.744 4.432 20 0 JIADRO CSCCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1 ZINC001316465891 1066367828 /nfs/dbraw/zinc/36/78/28/1066367828.db2.gz QWWFNRUFOUJASY-UHFFFAOYSA-N 1 0 456.429 4.132 20 0 JIADRO C[NH+]1CCN(Cc2ccc(-c3nc([C@@H](NC(=O)OC(C)(C)C)c4ccccc4)no3)cc2)CC1 ZINC001332044395 1066369996 /nfs/dbraw/zinc/36/99/96/1066369996.db2.gz LMAJKKYEXNVMOA-QFIPXVFZSA-N 1 0 463.582 4.098 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4ccccc4F)C[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492518042 1066374749 /nfs/dbraw/zinc/37/47/49/1066374749.db2.gz PJQXVXYEVMMECW-VXKWHMMOSA-N 1 0 479.648 4.479 20 0 JIADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854132 1066379961 /nfs/dbraw/zinc/37/99/61/1066379961.db2.gz VCCOZSSWCXTTAK-NZQKXSOJSA-N 1 0 478.662 4.013 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492518896 1066381130 /nfs/dbraw/zinc/38/11/30/1066381130.db2.gz VBDMALGAJRYCBB-UHFFFAOYSA-N 1 0 490.656 4.005 20 0 JIADRO CSCCCn1c(-c2ccccc2Cl)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001316474634 1066383442 /nfs/dbraw/zinc/38/34/42/1066383442.db2.gz OSXRRCGTNZHTRP-UHFFFAOYSA-N 1 0 474.078 4.149 20 0 JIADRO CSCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001316478617 1066391407 /nfs/dbraw/zinc/39/14/07/1066391407.db2.gz GERQWWTZBBDHNK-UHFFFAOYSA-N 1 0 480.476 4.047 20 0 JIADRO C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1O ZINC001316480952 1066396049 /nfs/dbraw/zinc/39/60/49/1066396049.db2.gz WJTRMWFPJKTCRO-MNEFBYGVSA-N 1 0 477.581 4.118 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCCCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001316487513 1066410690 /nfs/dbraw/zinc/41/06/90/1066410690.db2.gz OYXDRELQNZSXBR-UYAOXDASSA-N 1 0 467.584 4.360 20 0 JIADRO C[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC001316501957 1066463096 /nfs/dbraw/zinc/46/30/96/1066463096.db2.gz ZFCCCFBSNYETEV-KDURUIRLSA-N 1 0 461.601 4.337 20 0 JIADRO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001316502094 1066464126 /nfs/dbraw/zinc/46/41/26/1066464126.db2.gz YPHCLXXLRAVOBZ-KDURUIRLSA-N 1 0 492.462 4.109 20 0 JIADRO ClC1=C(Cl)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316508524 1066488018 /nfs/dbraw/zinc/48/80/18/1066488018.db2.gz VRSRGKMLZKPJFF-UHFFFAOYSA-N 1 0 472.218 4.197 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001316515833 1066511301 /nfs/dbraw/zinc/51/13/01/1066511301.db2.gz WAUDKXBWOLTECR-GOSISDBHSA-N 1 0 498.981 4.441 20 0 JIADRO Cc1cc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)ccc1N1CC[NH+](C)CC1 ZINC001337859155 1066516030 /nfs/dbraw/zinc/51/60/30/1066516030.db2.gz YBKZGCJAXIJBQE-UHFFFAOYSA-N 1 0 454.372 4.152 20 0 JIADRO FC(F)(F)SCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 ZINC001316517586 1066518298 /nfs/dbraw/zinc/51/82/98/1066518298.db2.gz TYRFPXYOJMPMAN-UHFFFAOYSA-N 1 0 482.620 4.276 20 0 JIADRO FC1(F)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)C1 ZINC001316518730 1066521055 /nfs/dbraw/zinc/52/10/55/1066521055.db2.gz JFSLDCILYDVUGJ-UHFFFAOYSA-N 1 0 460.356 4.210 20 0 JIADRO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001338004312 1066524355 /nfs/dbraw/zinc/52/43/55/1066524355.db2.gz OURUWIMMNSGPAH-DHLKQENFSA-N 1 0 452.986 4.021 20 0 JIADRO S=C(NCc1ccc(-n2cnc3ccccc32)nc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001338020285 1066525514 /nfs/dbraw/zinc/52/55/14/1066525514.db2.gz FQVYJEIHUGEVRB-UHFFFAOYSA-N 1 0 456.619 4.049 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[NH+]1CCSCC1 ZINC001316521688 1066528263 /nfs/dbraw/zinc/52/82/63/1066528263.db2.gz IAEHSVGVCIHHBA-CQSZACIVSA-N 1 0 459.969 4.268 20 0 JIADRO Fc1ccc(Cc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001316522571 1066530206 /nfs/dbraw/zinc/53/02/06/1066530206.db2.gz FHGUSFPUSQWDBO-QGZVFWFLSA-N 1 0 472.353 4.060 20 0 JIADRO CC1CC[NH+](Cc2cccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)c2)CC1 ZINC001338460568 1066557713 /nfs/dbraw/zinc/55/77/13/1066557713.db2.gz NLVHLRTZMRIMMS-UHFFFAOYSA-N 1 0 476.543 4.167 20 0 JIADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)CC1)C(C)C ZINC001338538937 1066562458 /nfs/dbraw/zinc/56/24/58/1066562458.db2.gz RBIQVWNSTJZXTR-UHFFFAOYSA-N 1 0 455.687 4.489 20 0 JIADRO COc1cccc([C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)[NH+]2CCCC2)c1 ZINC001339700090 1066577987 /nfs/dbraw/zinc/57/79/87/1066577987.db2.gz AJMZILMRXFGYQB-MOPGFXCFSA-N 1 0 450.004 4.330 20 0 JIADRO OC1(Cn2c(C3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCCCC1 ZINC001316583680 1066602423 /nfs/dbraw/zinc/60/24/23/1066602423.db2.gz DKDFJLZMEWABJN-UHFFFAOYSA-N 1 0 487.611 4.112 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001492538576 1066616532 /nfs/dbraw/zinc/61/65/32/1066616532.db2.gz JTCXQAHBRAXUBP-HXUWFJFHSA-N 1 0 454.644 4.380 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001316590696 1066619908 /nfs/dbraw/zinc/61/99/08/1066619908.db2.gz UJRSFRUJEYLTJV-HXUWFJFHSA-N 1 0 457.585 4.026 20 0 JIADRO CN(Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474667622 1066639903 /nfs/dbraw/zinc/63/99/03/1066639903.db2.gz KKMOZEYVIWSGSC-AWEZNQCLSA-N 1 0 452.304 4.417 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CCC(=O)N(C)C)c1 ZINC001492543198 1066663967 /nfs/dbraw/zinc/66/39/67/1066663967.db2.gz CZDJLSLFRSSWNV-HSZRJFAPSA-N 1 0 496.700 4.125 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)C1 ZINC001347076228 1066673672 /nfs/dbraw/zinc/67/36/72/1066673672.db2.gz RJAGFQNSDORLNN-KLJDGLGGSA-N 1 0 464.606 4.067 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001492543857 1066675977 /nfs/dbraw/zinc/67/59/77/1066675977.db2.gz ZVVUIHWYDYBOEE-ISKFKSNPSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1N1CC[NH+](C)CC1 ZINC001317787334 1066687728 /nfs/dbraw/zinc/68/77/28/1066687728.db2.gz MIWXNFRPHKXADL-INIZCTEOSA-N 1 0 479.650 4.153 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)c(C)c2)CC1 ZINC001347797446 1066701626 /nfs/dbraw/zinc/70/16/26/1066701626.db2.gz MZXJGFOMTAEYLS-QFQXNSOFSA-N 1 0 456.631 4.113 20 0 JIADRO Cc1ccc(S(=O)(=O)N(CCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC001317810409 1066701861 /nfs/dbraw/zinc/70/18/61/1066701861.db2.gz MVDWHGZRIXNEQW-UHFFFAOYSA-N 1 0 495.645 4.296 20 0 JIADRO COc1ccc(Cn2ncc3cc(C(=O)N4CCC[N@H+](Cc5ccc(C)cc5)CC4)cnc32)c(OC)c1 ZINC001317815957 1066705507 /nfs/dbraw/zinc/70/55/07/1066705507.db2.gz USHSWIRXNOLCLL-UHFFFAOYSA-N 1 0 499.615 4.153 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492544690 1066708687 /nfs/dbraw/zinc/70/86/87/1066708687.db2.gz VVSSCQNDPNPLDT-FIXSFTCYSA-N 1 0 455.647 4.147 20 0 JIADRO COc1cccc([C@H](CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)[NH+](C)C)c1 ZINC001317820913 1066708773 /nfs/dbraw/zinc/70/87/73/1066708773.db2.gz QCGNKWLASRXYLS-DEOSSOPVSA-N 1 0 455.562 4.339 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001348171250 1066725368 /nfs/dbraw/zinc/72/53/68/1066725368.db2.gz MIDDZCHZNIFPGT-QGZVFWFLSA-N 1 0 453.974 4.023 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)[NH+]1CCCC1 ZINC001317849174 1066731245 /nfs/dbraw/zinc/73/12/45/1066731245.db2.gz PDDROTPOWSTEPG-AZGAKELHSA-N 1 0 473.621 4.454 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC001348427352 1066743245 /nfs/dbraw/zinc/74/32/45/1066743245.db2.gz FWCKBJRMOSMYGX-VWLOTQADSA-N 1 0 455.558 4.296 20 0 JIADRO CN1c2ccccc2[C@H](C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC001317882822 1066752116 /nfs/dbraw/zinc/75/21/16/1066752116.db2.gz QIYCFXSHRRUVHL-AREMUKBSSA-N 1 0 468.601 4.093 20 0 JIADRO COc1ccc([C@H](CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[NH+](C)C)cc1OC ZINC001317899001 1066769213 /nfs/dbraw/zinc/76/92/13/1066769213.db2.gz JZUILGPKYHZKCS-FQEVSTJZSA-N 1 0 452.555 4.037 20 0 JIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001317904793 1066774307 /nfs/dbraw/zinc/77/43/07/1066774307.db2.gz YOAQCRKIXSTQNW-QGZVFWFLSA-N 1 0 457.347 4.168 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)[NH+]2CCCCC2)cc1 ZINC001317917259 1066785236 /nfs/dbraw/zinc/78/52/36/1066785236.db2.gz OTEBDSJGVXKJRX-XMMPIXPASA-N 1 0 474.561 4.005 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC001349133426 1066812556 /nfs/dbraw/zinc/81/25/56/1066812556.db2.gz ADSRFTKSLWYEHR-TZIWHRDSSA-N 1 0 472.427 4.361 20 0 JIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3N3CC[NH+](C)CC3)cc2)cc1 ZINC001349145362 1066814216 /nfs/dbraw/zinc/81/42/16/1066814216.db2.gz PKBWYDVMQUUNRL-UHFFFAOYSA-N 1 0 458.562 4.342 20 0 JIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001317976663 1066827718 /nfs/dbraw/zinc/82/77/18/1066827718.db2.gz OFASWQSBAFLAPT-QFIPXVFZSA-N 1 0 460.626 4.054 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCCOC(C)C)c1 ZINC001492546774 1066852635 /nfs/dbraw/zinc/85/26/35/1066852635.db2.gz BBOJYVFNEUQCQH-QFIPXVFZSA-N 1 0 455.647 4.291 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 ZINC001318030305 1066860185 /nfs/dbraw/zinc/86/01/85/1066860185.db2.gz QGTQBYUWIKHPDO-HXUWFJFHSA-N 1 0 471.545 4.280 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)c2)n1 ZINC001318034929 1066862739 /nfs/dbraw/zinc/86/27/39/1066862739.db2.gz ZCLWQWWSZSKQQF-UHFFFAOYSA-N 1 0 469.973 4.298 20 0 JIADRO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1-c1ccccc1 ZINC001318077411 1066887760 /nfs/dbraw/zinc/88/77/60/1066887760.db2.gz JHTLGGVMLCHMHX-HSZRJFAPSA-N 1 0 470.617 4.432 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001318083670 1066891551 /nfs/dbraw/zinc/89/15/51/1066891551.db2.gz GSRRYEYYLBPQMA-SFHVURJKSA-N 1 0 458.400 4.092 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084325 1066892023 /nfs/dbraw/zinc/89/20/23/1066892023.db2.gz XJANOKPPVBCOSW-RMXYQJDTSA-N 1 0 463.622 4.336 20 0 JIADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C2=O ZINC001349930488 1066897932 /nfs/dbraw/zinc/89/79/32/1066897932.db2.gz IMNYDMRUDGQABP-RTBURBONSA-N 1 0 454.615 4.136 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC001349941080 1066899285 /nfs/dbraw/zinc/89/92/85/1066899285.db2.gz RCPHYBZJGNRABU-UHFFFAOYSA-N 1 0 459.319 4.247 20 0 JIADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318103244 1066900893 /nfs/dbraw/zinc/90/08/93/1066900893.db2.gz XXCDLCQYHJUBGQ-LJQANCHMSA-N 1 0 472.014 4.029 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001318104456 1066901548 /nfs/dbraw/zinc/90/15/48/1066901548.db2.gz TUMBWSKEWVWCGO-OAQYLSRUSA-N 1 0 456.384 4.288 20 0 JIADRO COc1ccc(C)cc1N1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1=O ZINC001350062636 1066911013 /nfs/dbraw/zinc/91/10/13/1066911013.db2.gz QWHGIIIRXMCYBF-PZJWPPBQSA-N 1 0 455.624 4.007 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)C(F)(F)c3ncccc3Br)c(C)c2)CC1 ZINC001350135327 1066922793 /nfs/dbraw/zinc/92/27/93/1066922793.db2.gz TVLYUHIFACUHAX-UHFFFAOYSA-N 1 0 453.331 4.025 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492547545 1066931058 /nfs/dbraw/zinc/93/10/58/1066931058.db2.gz BMNZTAFPJKPEII-NOZRDPDXSA-N 1 0 469.674 4.395 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O)c1ccccc1 ZINC001350226182 1066933806 /nfs/dbraw/zinc/93/38/06/1066933806.db2.gz NZCKOIGSNOKHGW-LFPSXHGSSA-N 1 0 451.592 4.231 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCC([C@H]4c5ccccc5NC4=O)CC3)CC2)c1 ZINC001318169075 1066936192 /nfs/dbraw/zinc/93/61/92/1066936192.db2.gz RDKMBCHKTPBKQF-MHZLTWQESA-N 1 0 489.664 4.055 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC001318177779 1066941429 /nfs/dbraw/zinc/94/14/29/1066941429.db2.gz RCPGXUDCKUGRCT-BCHFMIIMSA-N 1 0 493.627 4.186 20 0 JIADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC001350312601 1066942544 /nfs/dbraw/zinc/94/25/44/1066942544.db2.gz GEOUTINTSGBIOT-UHFFFAOYSA-N 1 0 452.064 4.094 20 0 JIADRO CNC(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1 ZINC001350305749 1066942559 /nfs/dbraw/zinc/94/25/59/1066942559.db2.gz RFFBQGYDFCMTFQ-UHFFFAOYSA-N 1 0 457.578 4.321 20 0 JIADRO CC(C)[C@H](CNC(=O)c1cc(I)c(F)cc1F)[NH+]1CCC(C)CC1 ZINC001350328945 1066944065 /nfs/dbraw/zinc/94/40/65/1066944065.db2.gz YXLFTSATBWSLGZ-KRWDZBQOSA-N 1 0 450.311 4.056 20 0 JIADRO Cc1ccc([C@@H](CNC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)[NH+]2CCCC2)cc1 ZINC001318187329 1066947234 /nfs/dbraw/zinc/94/72/34/1066947234.db2.gz VUPHFCSLBWRWIF-JOCHJYFZSA-N 1 0 458.587 4.298 20 0 JIADRO NS(=O)(=O)c1ccc(CNC(=S)C(C(=O)c2cc3ccccc3o2)[n+]2cccc(CO)c2)cc1 ZINC001318187712 1066947810 /nfs/dbraw/zinc/94/78/10/1066947810.db2.gz MTECRPSMNSBBCB-UHFFFAOYSA-O 1 0 496.590 4.092 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC001350368295 1066948597 /nfs/dbraw/zinc/94/85/97/1066948597.db2.gz GRWIHKSPLUMTBG-RDPSFJRHSA-N 1 0 457.640 4.063 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC001318191996 1066949905 /nfs/dbraw/zinc/94/99/05/1066949905.db2.gz PQPYPPIIZAFVEF-UHFFFAOYSA-N 1 0 451.386 4.267 20 0 JIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCC2)cc1 ZINC001318194131 1066951213 /nfs/dbraw/zinc/95/12/13/1066951213.db2.gz NJONCNGAOOABNI-RUZDIDTESA-N 1 0 470.577 4.065 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001350415737 1066956249 /nfs/dbraw/zinc/95/62/49/1066956249.db2.gz GMAZOFLVXKXYKW-RCZVLFRGSA-N 1 0 469.651 4.204 20 0 JIADRO COc1ccc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1OC1CCCC1 ZINC001318225855 1066970524 /nfs/dbraw/zinc/97/05/24/1066970524.db2.gz IWUZBCSOFMUWGC-UHFFFAOYSA-N 1 0 452.599 4.086 20 0 JIADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318225872 1066970801 /nfs/dbraw/zinc/97/08/01/1066970801.db2.gz GNRMLLNVLQKBNE-QFIPXVFZSA-N 1 0 452.643 4.042 20 0 JIADRO COc1cc([C@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OC1CCCC1 ZINC001318279911 1066999656 /nfs/dbraw/zinc/99/96/56/1066999656.db2.gz CIQHHUSTNQQOKF-NRFANRHFSA-N 1 0 480.653 4.324 20 0 JIADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318280607 1067000163 /nfs/dbraw/zinc/00/01/63/1067000163.db2.gz OWQBQFGXZZJRJB-UHFFFAOYSA-N 1 0 479.602 4.040 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)c2)CC1 ZINC001318281422 1067000440 /nfs/dbraw/zinc/00/04/40/1067000440.db2.gz ROTASMQFDGXOKR-DEOSSOPVSA-N 1 0 452.599 4.223 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(CSc4ccccn4)c3)c2)CC1 ZINC001318281591 1067000678 /nfs/dbraw/zinc/00/06/78/1067000678.db2.gz ODKLTUSQTSZRIB-UHFFFAOYSA-N 1 0 461.635 4.443 20 0 JIADRO CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001318286150 1067002740 /nfs/dbraw/zinc/00/27/40/1067002740.db2.gz IGDPOAQSMYQDQM-UHFFFAOYSA-N 1 0 462.619 4.245 20 0 JIADRO CN1CC[N@H+](CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@H](c2ccccc2)C1 ZINC001318299079 1067007595 /nfs/dbraw/zinc/00/75/95/1067007595.db2.gz XHBGCUREJZLUQK-VWLOTQADSA-N 1 0 470.061 4.305 20 0 JIADRO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001318303400 1067008186 /nfs/dbraw/zinc/00/81/86/1067008186.db2.gz BLTJBUOEIRSSOM-SZPZYZBQSA-N 1 0 477.653 4.371 20 0 JIADRO O=C(NC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305103 1067009173 /nfs/dbraw/zinc/00/91/73/1067009173.db2.gz BFJPSSAJAFKDHF-CVDCTZTESA-N 1 0 477.432 4.451 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1CC(F)(F)C1 ZINC001300683013 1067019001 /nfs/dbraw/zinc/01/90/01/1067019001.db2.gz HCPPXKKEPADDRV-UHFFFAOYSA-N 1 0 465.614 4.402 20 0 JIADRO O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318343562 1067025477 /nfs/dbraw/zinc/02/54/77/1067025477.db2.gz ZSKLEINZXNMUGO-HXUWFJFHSA-N 1 0 475.376 4.433 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300688052 1067031640 /nfs/dbraw/zinc/03/16/40/1067031640.db2.gz SXGZSKTWJLHJBN-YZZKKUAISA-N 1 0 493.768 4.347 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CC1 ZINC001318404846 1067038126 /nfs/dbraw/zinc/03/81/26/1067038126.db2.gz VBJRNANUDXQUBB-UHFFFAOYSA-N 1 0 467.614 4.498 20 0 JIADRO COc1cccc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)oc21 ZINC001318456934 1067044121 /nfs/dbraw/zinc/04/41/21/1067044121.db2.gz BKHGWCWTCJLKIM-UHFFFAOYSA-N 1 0 460.372 4.477 20 0 JIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001318476546 1067047395 /nfs/dbraw/zinc/04/73/95/1067047395.db2.gz HVDJPNIXUACKDE-GOSISDBHSA-N 1 0 471.374 4.068 20 0 JIADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC001318508806 1067049648 /nfs/dbraw/zinc/04/96/48/1067049648.db2.gz DOGGPZQHVKCZDO-DEOSSOPVSA-N 1 0 480.653 4.153 20 0 JIADRO COc1ccncc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300694820 1067049785 /nfs/dbraw/zinc/04/97/85/1067049785.db2.gz DZIWEIWYAABHTQ-UHFFFAOYSA-N 1 0 478.641 4.271 20 0 JIADRO Cc1ccc(CC(=O)N2CCN(C(=O)Nc3cccc(CC[NH+]4CCC(C)CC4)c3)CC2)cc1 ZINC001351174016 1067055590 /nfs/dbraw/zinc/05/55/90/1067055590.db2.gz BMFLBXXZZODQNN-UHFFFAOYSA-N 1 0 462.638 4.188 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2cccn(C(C)(C)C)c2=O)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354711888 1067056731 /nfs/dbraw/zinc/05/67/31/1067056731.db2.gz IYFHJHPRYIWWSN-UHFFFAOYSA-N 1 0 459.612 4.253 20 0 JIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001318629422 1067057381 /nfs/dbraw/zinc/05/73/81/1067057381.db2.gz CYVKWFFLQCGKJK-LJAQVGFWSA-N 1 0 479.584 4.446 20 0 JIADRO CCOc1ccc(CN(C)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001319025529 1067064455 /nfs/dbraw/zinc/06/44/55/1067064455.db2.gz LZWDECMMSZNUNX-BGYRXZFFSA-N 1 0 455.599 4.045 20 0 JIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738692 1067073040 /nfs/dbraw/zinc/07/30/40/1067073040.db2.gz WNYMCXBPYTZISI-NBMRYCAZSA-N 1 0 479.643 4.389 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492487292 1067084272 /nfs/dbraw/zinc/08/42/72/1067084272.db2.gz SMEDOYRMCREEJM-UHFFFAOYSA-N 1 0 477.657 4.096 20 0 JIADRO NS(=O)(=O)c1ccc(CNC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cc1 ZINC001321424105 1067121119 /nfs/dbraw/zinc/12/11/19/1067121119.db2.gz GAZCSMRZLJLHAG-UHFFFAOYSA-O 1 0 462.523 4.132 20 0 JIADRO COc1cccc(Br)c1[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC(C)C ZINC001200795912 1067150713 /nfs/dbraw/zinc/15/07/13/1067150713.db2.gz XJCGHDVDVJJVJH-HKUYNNGSSA-N 1 0 462.457 4.298 20 0 JIADRO Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001321619771 1067177689 /nfs/dbraw/zinc/17/76/89/1067177689.db2.gz ZZSBJIWEBMCCFX-UHFFFAOYSA-N 1 0 478.906 4.252 20 0 JIADRO O=C(N1CC[NH+](CC2CCCCC2)CC1)C1(c2ccc(I)cc2)CC1 ZINC001351738340 1067184273 /nfs/dbraw/zinc/18/42/73/1067184273.db2.gz NFPCXJPTGHFRHD-UHFFFAOYSA-N 1 0 452.380 4.047 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492578904 1067191447 /nfs/dbraw/zinc/19/14/47/1067191447.db2.gz ALTPPYRIJCKRKN-FKBYEOEOSA-N 1 0 469.674 4.069 20 0 JIADRO CCC[N@H+]1C[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]2C1 ZINC001200801080 1067198785 /nfs/dbraw/zinc/19/87/85/1067198785.db2.gz DKSKKVQMVHAWIU-PHIMTYICSA-N 1 0 465.230 4.321 20 0 JIADRO CC1([NH+]2CCOCC2)CCN(C(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200801382 1067200474 /nfs/dbraw/zinc/20/04/74/1067200474.db2.gz HEEGMDNFWNAHPQ-UHFFFAOYSA-N 1 0 495.256 4.234 20 0 JIADRO CC[NH+](CC)[C@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200801783 1067204111 /nfs/dbraw/zinc/20/41/11/1067204111.db2.gz PGDWGGZBOGEFFP-NSHDSACASA-N 1 0 453.219 4.464 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001200804932 1067222270 /nfs/dbraw/zinc/22/22/70/1067222270.db2.gz LNDJYMKYZBLKQT-JOCQHMNTSA-N 1 0 495.256 4.281 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(Br)ccc2I)CC1 ZINC001321979140 1067236123 /nfs/dbraw/zinc/23/61/23/1067236123.db2.gz OPXAAVHRDOJQOK-UHFFFAOYSA-N 1 0 480.188 4.392 20 0 JIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)CC1 ZINC001322025485 1067241141 /nfs/dbraw/zinc/24/11/41/1067241141.db2.gz YJNJJSIRHYFRSD-SANMLTNESA-N 1 0 457.622 4.269 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC001322120149 1067254001 /nfs/dbraw/zinc/25/40/01/1067254001.db2.gz JJROWPLBELXXPI-MQAYZUIZSA-N 1 0 469.695 4.325 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001322148010 1067257348 /nfs/dbraw/zinc/25/73/48/1067257348.db2.gz JQDQAXCQBPCJLJ-UHFFFAOYSA-N 1 0 471.652 4.432 20 0 JIADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001351975930 1067259933 /nfs/dbraw/zinc/25/99/33/1067259933.db2.gz JADOUZFIUFTROU-SHQCIBLASA-N 1 0 462.615 4.427 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001200811851 1067264689 /nfs/dbraw/zinc/26/46/89/1067264689.db2.gz YVMBQLDNDBQNFQ-UHFFFAOYSA-N 1 0 468.454 4.301 20 0 JIADRO O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001322324272 1067276429 /nfs/dbraw/zinc/27/64/29/1067276429.db2.gz GLDSOWNVNSUUSN-UHFFFAOYSA-N 1 0 482.588 4.068 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001322333690 1067277453 /nfs/dbraw/zinc/27/74/53/1067277453.db2.gz PJOQLSXGSZXBEY-UHFFFAOYSA-N 1 0 457.500 4.368 20 0 JIADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001322351018 1067281564 /nfs/dbraw/zinc/28/15/64/1067281564.db2.gz SBXHRFHJOWNAAK-QRVBRYPASA-N 1 0 459.612 4.370 20 0 JIADRO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC001352082263 1067283267 /nfs/dbraw/zinc/28/32/67/1067283267.db2.gz YHFOLHZNKGRGKD-OAHLLOKOSA-N 1 0 454.464 4.151 20 0 JIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001354926994 1067283824 /nfs/dbraw/zinc/28/38/24/1067283824.db2.gz YVUAYIBTACXYPT-UHFFFAOYSA-N 1 0 451.415 4.023 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492492735 1067288405 /nfs/dbraw/zinc/28/84/05/1067288405.db2.gz QUGOMSCKVDJSGW-UHFFFAOYSA-N 1 0 489.668 4.076 20 0 JIADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ccccc4N4CC[NH+](C)CC4)cc3)o2)c1 ZINC001322468516 1067297445 /nfs/dbraw/zinc/29/74/45/1067297445.db2.gz MQVTWXDTOWOIHO-UHFFFAOYSA-N 1 0 467.573 4.394 20 0 JIADRO CCc1ccc([C@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c2cccc(F)c2)cc1 ZINC001322524780 1067300871 /nfs/dbraw/zinc/30/08/71/1067300871.db2.gz LAJVTOPZJJCLAS-SANMLTNESA-N 1 0 490.627 4.169 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC001354963234 1067307433 /nfs/dbraw/zinc/30/74/33/1067307433.db2.gz UJUQCOUYEDNQLE-UHFFFAOYSA-N 1 0 455.002 4.117 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492579344 1067313871 /nfs/dbraw/zinc/31/38/71/1067313871.db2.gz INKYYWFBHZNZFH-ZJSXRUAMSA-N 1 0 496.700 4.401 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300772056 1067321451 /nfs/dbraw/zinc/32/14/51/1067321451.db2.gz IPYTWLNCZMQEIO-UWJYYQICSA-N 1 0 461.582 4.127 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001492552920 1067340148 /nfs/dbraw/zinc/34/01/48/1067340148.db2.gz FNTWRFKSGDVMMI-NVQXNPDNSA-N 1 0 453.631 4.086 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCC2)CC1 ZINC001300783455 1067341455 /nfs/dbraw/zinc/34/14/55/1067341455.db2.gz WSCKVJARVFAEFS-UHFFFAOYSA-N 1 0 479.467 4.306 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492498262 1067341774 /nfs/dbraw/zinc/34/17/74/1067341774.db2.gz WXZVUNLYXRGCHP-ICSRJNTNSA-N 1 0 496.059 4.497 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C ZINC001200003415 1067341863 /nfs/dbraw/zinc/34/18/63/1067341863.db2.gz MISBRKJHCNOWCT-JOCHJYFZSA-N 1 0 458.628 4.179 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001300785527 1067347088 /nfs/dbraw/zinc/34/70/88/1067347088.db2.gz DXVDJVUJMMEKRC-VWLOTQADSA-N 1 0 499.700 4.369 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)CC1 ZINC001300785701 1067347454 /nfs/dbraw/zinc/34/74/54/1067347454.db2.gz MWOSOGZFPYLEOL-JOCHJYFZSA-N 1 0 491.721 4.093 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N3CCO[C@@H](c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001300786107 1067348351 /nfs/dbraw/zinc/34/83/51/1067348351.db2.gz KFLSQSQOEOUFBZ-JOCHJYFZSA-N 1 0 473.637 4.182 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CCc3ccccc31)C(C)(C)[NH2+]C(C)(C)C2 ZINC001352354409 1067349216 /nfs/dbraw/zinc/34/92/16/1067349216.db2.gz FVAFOGUMGFWIEX-OAHLLOKOSA-N 1 0 455.624 4.474 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001300786920 1067350244 /nfs/dbraw/zinc/35/02/44/1067350244.db2.gz SSFOPXVONOJWSR-JOCHJYFZSA-N 1 0 476.669 4.393 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001492553732 1067350537 /nfs/dbraw/zinc/35/05/37/1067350537.db2.gz NUOCZKJGHLUUHT-UHFFFAOYSA-N 1 0 491.684 4.110 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N(C)Cc3cccc(C(N)=O)c3)CCCC2)CC1 ZINC001300787902 1067352559 /nfs/dbraw/zinc/35/25/59/1067352559.db2.gz WHGOHFDQHXXOKF-UHFFFAOYSA-N 1 0 496.700 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001300787946 1067353073 /nfs/dbraw/zinc/35/30/73/1067353073.db2.gz XCKINACPWQAUCJ-MHZLTWQESA-N 1 0 485.673 4.060 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300005669 1067353208 /nfs/dbraw/zinc/35/32/08/1067353208.db2.gz HSSWWMGOCCMKPP-IBGZPJMESA-N 1 0 482.610 4.260 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001300005883 1067353715 /nfs/dbraw/zinc/35/37/15/1067353715.db2.gz KRGIEBYCHDJEME-UHFFFAOYSA-N 1 0 481.626 4.031 20 0 JIADRO CN(C)[C@@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC001200853518 1067361420 /nfs/dbraw/zinc/36/14/20/1067361420.db2.gz HGAHRSKRYVKQOX-SFTDATJTSA-N 1 0 452.039 4.481 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 ZINC001355055130 1067364433 /nfs/dbraw/zinc/36/44/33/1067364433.db2.gz DOHUAVYHVQJPLK-XZOQPEGZSA-N 1 0 466.578 4.392 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCC2)CC[C@H]1C ZINC001300793274 1067365067 /nfs/dbraw/zinc/36/50/67/1067365067.db2.gz FILGYJHYMRMDBR-XLIONFOSSA-N 1 0 479.467 4.163 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OC ZINC001352383762 1067367130 /nfs/dbraw/zinc/36/71/30/1067367130.db2.gz VWJTXNKEUYVRLG-FQEVSTJZSA-N 1 0 453.583 4.024 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCC(=O)N(C)C ZINC001492581724 1067386130 /nfs/dbraw/zinc/38/61/30/1067386130.db2.gz OWKTVKBYPKFONO-QHCPKHFHSA-N 1 0 480.701 4.137 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300021731 1067386226 /nfs/dbraw/zinc/38/62/26/1067386226.db2.gz JFRYPWIZYWKFPF-JYJNAYRXSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300022080 1067387191 /nfs/dbraw/zinc/38/71/91/1067387191.db2.gz QDBULDJWUJWDGX-OAQYLSRUSA-N 1 0 498.716 4.108 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1Br ZINC001300022252 1067388207 /nfs/dbraw/zinc/38/82/07/1067388207.db2.gz UEVXGMUGKXGMGI-PONJGIIJSA-N 1 0 494.503 4.246 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC001300022934 1067390544 /nfs/dbraw/zinc/39/05/44/1067390544.db2.gz HHTYXQTYKMHUMF-LVCYWYKZSA-N 1 0 453.587 4.483 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CC[NH+]2CCSCC2)cc1Br ZINC001300023230 1067391760 /nfs/dbraw/zinc/39/17/60/1067391760.db2.gz JGPCZHLRXYQRBJ-DLBZAZTESA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300027070 1067399714 /nfs/dbraw/zinc/39/97/14/1067399714.db2.gz IJYREYVVABCJRX-KRWDZBQOSA-N 1 0 479.547 4.393 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCC[NH+]2CCCC2)cc1Br ZINC001300027262 1067400708 /nfs/dbraw/zinc/40/07/08/1067400708.db2.gz KTCOCGYYRKLMLH-UHFFFAOYSA-N 1 0 460.420 4.359 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300029425 1067413511 /nfs/dbraw/zinc/41/35/11/1067413511.db2.gz PEYZELVHHGMEKZ-XMMPIXPASA-N 1 0 496.700 4.159 20 0 JIADRO COc1cccc(-c2cc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)n(-c3ccccc3)n2)c1 ZINC001355317587 1067416808 /nfs/dbraw/zinc/41/68/08/1067416808.db2.gz SHAREJAIHXCTLM-UHFFFAOYSA-N 1 0 457.534 4.136 20 0 JIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001355330973 1067422216 /nfs/dbraw/zinc/42/22/16/1067422216.db2.gz KTENUBXJZDHDHX-UHFFFAOYSA-N 1 0 451.365 4.039 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300031701 1067422912 /nfs/dbraw/zinc/42/29/12/1067422912.db2.gz ACIRUZMDPMXZQQ-WOZUAGRISA-N 1 0 485.673 4.332 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300031835 1067423832 /nfs/dbraw/zinc/42/38/32/1067423832.db2.gz AIGQWNYWWSUQKZ-SFTDATJTSA-N 1 0 485.673 4.334 20 0 JIADRO CCC(CC)N1C[C@@H](C(=O)N(CC[NH+](CC)CC)c2cccc(Br)c2)CC1=O ZINC001355376238 1067437743 /nfs/dbraw/zinc/43/77/43/1067437743.db2.gz PZOXGWIXTFVMRC-KRWDZBQOSA-N 1 0 452.437 4.161 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C4CC4)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300038943 1067453908 /nfs/dbraw/zinc/45/39/08/1067453908.db2.gz TUZMVAQRBXKCTG-GOSISDBHSA-N 1 0 462.436 4.293 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCCC(C)(C)C)c(OC)c1 ZINC001300040522 1067463350 /nfs/dbraw/zinc/46/33/50/1067463350.db2.gz SGFYTZFOIDHKOI-UHFFFAOYSA-N 1 0 485.673 4.337 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001300041544 1067472355 /nfs/dbraw/zinc/47/23/55/1067472355.db2.gz IGUFFKVMNLTCOQ-OAHLLOKOSA-N 1 0 484.389 4.436 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300042086 1067477570 /nfs/dbraw/zinc/47/75/70/1067477570.db2.gz VOKPGNHIPNAWHA-SFHVURJKSA-N 1 0 463.573 4.320 20 0 JIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001355502615 1067492287 /nfs/dbraw/zinc/49/22/87/1067492287.db2.gz APXIQFJNOGOEIY-CABCVRRESA-N 1 0 454.411 4.268 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300051180 1067513998 /nfs/dbraw/zinc/51/39/98/1067513998.db2.gz DBRQWJZCPQLENO-FNZWTVRRSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc1OC ZINC001200071745 1067523301 /nfs/dbraw/zinc/52/33/01/1067523301.db2.gz DDKUQDYAPPJXFU-HSZRJFAPSA-N 1 0 457.640 4.090 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492582374 1067524817 /nfs/dbraw/zinc/52/48/17/1067524817.db2.gz FVPQCGYBTODSIE-UHFFFAOYSA-N 1 0 492.634 4.418 20 0 JIADRO COc1ccc(CCNC(=S)N2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1OC ZINC001200076096 1067538055 /nfs/dbraw/zinc/53/80/55/1067538055.db2.gz GGLBUOFNKOELBW-HWBMXIPRSA-N 1 0 453.652 4.231 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300055980 1067538144 /nfs/dbraw/zinc/53/81/44/1067538144.db2.gz DPXKXAKKXDFIRR-IRLDBZIGSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300056409 1067541387 /nfs/dbraw/zinc/54/13/87/1067541387.db2.gz NUFBFOLFRGTISC-RBBKRZOGSA-N 1 0 498.672 4.274 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(F)c(F)cc1I ZINC001355655926 1067542451 /nfs/dbraw/zinc/54/24/51/1067542451.db2.gz ILUZCTCCCJAWCY-UHFFFAOYSA-N 1 0 456.274 4.460 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)nc2)CC1 ZINC001355690229 1067552145 /nfs/dbraw/zinc/55/21/45/1067552145.db2.gz FLGKKHWYFVZKJW-UHFFFAOYSA-N 1 0 456.388 4.037 20 0 JIADRO COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001352580746 1067552988 /nfs/dbraw/zinc/55/29/88/1067552988.db2.gz RAARPFPWCCHQKO-QCYKNMLGSA-N 1 0 478.570 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300059902 1067556555 /nfs/dbraw/zinc/55/65/55/1067556555.db2.gz LSSSKWZHPHRLPX-UXHICEINSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001300063225 1067572355 /nfs/dbraw/zinc/57/23/55/1067572355.db2.gz OEZYHZOUVGMNIY-UHFFFAOYSA-N 1 0 498.672 4.323 20 0 JIADRO COc1ccc(CCNC(=S)NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1OC ZINC001200085677 1067576912 /nfs/dbraw/zinc/57/69/12/1067576912.db2.gz RORFKLOBIGGXGW-UHFFFAOYSA-N 1 0 475.658 4.432 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300066493 1067580632 /nfs/dbraw/zinc/58/06/32/1067580632.db2.gz DHTMHUIHDKODBG-OAQYLSRUSA-N 1 0 498.672 4.275 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 ZINC001352615356 1067581731 /nfs/dbraw/zinc/58/17/31/1067581731.db2.gz DACUSAXCGHNEBE-HYBUGGRVSA-N 1 0 457.640 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[C@H]2CCCCO2)cc1OC ZINC001300067240 1067582941 /nfs/dbraw/zinc/58/29/41/1067582941.db2.gz MGWKPBCDNQPZGA-OAQYLSRUSA-N 1 0 471.646 4.232 20 0 JIADRO CCOc1ccc(OCC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001355801886 1067583286 /nfs/dbraw/zinc/58/32/86/1067583286.db2.gz YFNZKXIWRJIDGT-UHFFFAOYSA-N 1 0 459.590 4.421 20 0 JIADRO Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2)c1 ZINC001355813723 1067585399 /nfs/dbraw/zinc/58/53/99/1067585399.db2.gz QHEOXICHLWWXKX-UHFFFAOYSA-N 1 0 455.602 4.362 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCOC(C)(C)C)cc1Br ZINC001300070137 1067590593 /nfs/dbraw/zinc/59/05/93/1067590593.db2.gz BLPCDBPSPOJFKA-UHFFFAOYSA-N 1 0 492.462 4.206 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCCCOC(C)C)cc1 ZINC001300070918 1067591852 /nfs/dbraw/zinc/59/18/52/1067591852.db2.gz NVQSCJYJEUMQJD-OAQYLSRUSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1OC ZINC001200094720 1067596776 /nfs/dbraw/zinc/59/67/76/1067596776.db2.gz CGRUGFZFRXQHNJ-UHFFFAOYSA-N 1 0 451.567 4.333 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076419 1067603530 /nfs/dbraw/zinc/60/35/30/1067603530.db2.gz OSPJMASFWIEOKW-GGAORHGYSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC2(C)CCC2)cc1 ZINC001300077218 1067606585 /nfs/dbraw/zinc/60/65/85/1067606585.db2.gz ZBXLSPQMNUSNQG-UHFFFAOYSA-N 1 0 481.563 4.235 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300077667 1067607999 /nfs/dbraw/zinc/60/79/99/1067607999.db2.gz XIJXZUCOFVVTSK-HYBUGGRVSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)c(OC)c1 ZINC001300077918 1067609649 /nfs/dbraw/zinc/60/96/49/1067609649.db2.gz CQTXWIRXLQCMPE-HHHXNRCGSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300077978 1067610090 /nfs/dbraw/zinc/61/00/90/1067610090.db2.gz DOKJZPIWYIZOCY-PXNSSMCTSA-N 1 0 481.563 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001300077962 1067610185 /nfs/dbraw/zinc/61/01/85/1067610185.db2.gz DFOAQOXBLTUYOO-HRFSGMKKSA-N 1 0 485.673 4.336 20 0 JIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1Cl ZINC001355952417 1067617359 /nfs/dbraw/zinc/61/73/59/1067617359.db2.gz RNSRIKNNHAODRU-UHFFFAOYSA-N 1 0 456.896 4.468 20 0 JIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC1 ZINC001355970925 1067621673 /nfs/dbraw/zinc/62/16/73/1067621673.db2.gz GHAKKGIMRNLVHJ-UHFFFAOYSA-N 1 0 458.990 4.125 20 0 JIADRO CC(C)(C)OC(=O)N1CCc2nc(CNC[C@H]3CC[N@H+](CCc4ccccc4)C3)sc2C1 ZINC001200106016 1067630156 /nfs/dbraw/zinc/63/01/56/1067630156.db2.gz QVOCGHHLIXGTTE-HXUWFJFHSA-N 1 0 456.656 4.091 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300089134 1067639788 /nfs/dbraw/zinc/63/97/88/1067639788.db2.gz ODIDFALTMGOCKL-XQBPLPMBSA-N 1 0 477.600 4.038 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300089785 1067642723 /nfs/dbraw/zinc/64/27/23/1067642723.db2.gz QZELPOZLYABVKZ-GBESFXJTSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300090268 1067644217 /nfs/dbraw/zinc/64/42/17/1067644217.db2.gz ZEJDVVCCOIENID-URVUXULASA-N 1 0 498.672 4.178 20 0 JIADRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001352722352 1067652750 /nfs/dbraw/zinc/65/27/50/1067652750.db2.gz IFKYQRYLHYULCO-LEWJYISDSA-N 1 0 458.400 4.233 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300097383 1067663706 /nfs/dbraw/zinc/66/37/06/1067663706.db2.gz BCQSODPZOMVGKA-UNMCSNQZSA-N 1 0 479.629 4.070 20 0 JIADRO COc1ccc(C2CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC001300099540 1067671450 /nfs/dbraw/zinc/67/14/50/1067671450.db2.gz HFHJVJHSYWRQOO-RUZDIDTESA-N 1 0 469.674 4.226 20 0 JIADRO CCOC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)nc1 ZINC001356172839 1067681513 /nfs/dbraw/zinc/68/15/13/1067681513.db2.gz XJBPDXSYYBKJCW-UHFFFAOYSA-N 1 0 458.562 4.141 20 0 JIADRO C[C@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)N1CCOCC1 ZINC001200123105 1067687041 /nfs/dbraw/zinc/68/70/41/1067687041.db2.gz XWDYHHRXIDAEAV-SRCYTUNASA-N 1 0 450.627 4.358 20 0 JIADRO COc1ccc(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC001300106922 1067695998 /nfs/dbraw/zinc/69/59/98/1067695998.db2.gz KNDFDPSJGHJDPR-NZQKXSOJSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001300108423 1067705014 /nfs/dbraw/zinc/70/50/14/1067705014.db2.gz RMBXWDQHVRPBOC-LJQANCHMSA-N 1 0 482.698 4.488 20 0 JIADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001356251877 1067707474 /nfs/dbraw/zinc/70/74/74/1067707474.db2.gz XPLKPNGQKUABOV-OAQYLSRUSA-N 1 0 451.449 4.369 20 0 JIADRO COc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c(OC)c1OC ZINC001352766257 1067709540 /nfs/dbraw/zinc/70/95/40/1067709540.db2.gz YWTBGWMZOCAGPX-XZOQPEGZSA-N 1 0 452.595 4.267 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300113195 1067717519 /nfs/dbraw/zinc/71/75/19/1067717519.db2.gz CGHZJCKCOKYXDB-DNQXCXABSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300113196 1067717587 /nfs/dbraw/zinc/71/75/87/1067717587.db2.gz CGHZJCKCOKYXDB-RPWUZVMVSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300113393 1067718426 /nfs/dbraw/zinc/71/84/26/1067718426.db2.gz GSXRTHKDVKRPRT-OTNCWRBYSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CC=C(C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300113443 1067718471 /nfs/dbraw/zinc/71/84/71/1067718471.db2.gz JRMMCGYKUCNXDM-VXKWHMMOSA-N 1 0 467.658 4.116 20 0 JIADRO C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356357238 1067734691 /nfs/dbraw/zinc/73/46/91/1067734691.db2.gz VGQIFFSUNJXXBG-MSOLQXFVSA-N 1 0 453.384 4.370 20 0 JIADRO CN(c1ccc(NC(=O)CCCCCNC(=O)NC2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001356368012 1067737591 /nfs/dbraw/zinc/73/75/91/1067737591.db2.gz JLZPPGKJQLYQGF-UHFFFAOYSA-N 1 0 457.663 4.348 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)cc1 ZINC001300123389 1067743784 /nfs/dbraw/zinc/74/37/84/1067743784.db2.gz SFXLBDZUIYUKNB-UHFFFAOYSA-N 1 0 457.663 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001300123337 1067743915 /nfs/dbraw/zinc/74/39/15/1067743915.db2.gz RRJZURHJQSHJHJ-UGKGYDQZSA-N 1 0 495.590 4.104 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300126378 1067753152 /nfs/dbraw/zinc/75/31/52/1067753152.db2.gz FGOHBDIWOYCACY-IBGZPJMESA-N 1 0 461.601 4.428 20 0 JIADRO Cc1ccc(NC(=S)N2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)c(Br)c1 ZINC001200147020 1067757916 /nfs/dbraw/zinc/75/79/16/1067757916.db2.gz ZUXDIEQLFGMUNX-MOPGFXCFSA-N 1 0 475.456 4.133 20 0 JIADRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1=O ZINC001352869191 1067775670 /nfs/dbraw/zinc/77/56/70/1067775670.db2.gz QIPVNUUDJBPNJE-ICSRJNTNSA-N 1 0 457.565 4.422 20 0 JIADRO Cc1ccc(F)c(-n2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)c3c2CCC3)c1 ZINC001352869341 1067776150 /nfs/dbraw/zinc/77/61/50/1067776150.db2.gz RZMICMHKIPVWJL-UHFFFAOYSA-N 1 0 456.512 4.291 20 0 JIADRO CCN(CC)c1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)c(=O)oc2c1 ZINC001352869599 1067776681 /nfs/dbraw/zinc/77/66/81/1067776681.db2.gz ZFGNPQYBBPQURX-UHFFFAOYSA-N 1 0 455.986 4.497 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC001356560928 1067778602 /nfs/dbraw/zinc/77/86/02/1067778602.db2.gz CUQQFJLTBQDYTQ-UYAOXDASSA-N 1 0 471.648 4.433 20 0 JIADRO CCOC(=O)[C@]1(NC(=S)Nc2ccc(C)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001200156786 1067779288 /nfs/dbraw/zinc/77/92/88/1067779288.db2.gz QQOLXQNXUMXJER-QFIPXVFZSA-N 1 0 476.440 4.252 20 0 JIADRO CC(C)[NH+]1CCC(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001352908012 1067796176 /nfs/dbraw/zinc/79/61/76/1067796176.db2.gz VOEORALQMLGJNJ-UHFFFAOYSA-N 1 0 450.988 4.191 20 0 JIADRO [NH2+]=C(NCCCNC(=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849073436 1067796899 /nfs/dbraw/zinc/79/68/99/1067796899.db2.gz UMBFRHZBBVEABT-UHFFFAOYSA-N 1 0 459.266 4.104 20 0 JIADRO COc1ccc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC001300143443 1067797148 /nfs/dbraw/zinc/79/71/48/1067797148.db2.gz GWRGJXRLXMQUJL-UHFFFAOYSA-N 1 0 478.641 4.158 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492584409 1067798092 /nfs/dbraw/zinc/79/80/92/1067798092.db2.gz KIIANWRLUVZQLH-XMMPIXPASA-N 1 0 494.728 4.430 20 0 JIADRO COc1cccc(N2CC[NH+](CCS[C@@H](C(=O)N3CCc4ccccc43)C(C)C)CC2)c1 ZINC001473085949 1067800758 /nfs/dbraw/zinc/80/07/58/1067800758.db2.gz RSDMZXCEUMIMKU-RUZDIDTESA-N 1 0 453.652 4.164 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC001357117367 1067806213 /nfs/dbraw/zinc/80/62/13/1067806213.db2.gz MKWYHBLSPYZVIW-UHFFFAOYSA-N 1 0 453.514 4.418 20 0 JIADRO COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1OC ZINC001300152268 1067808988 /nfs/dbraw/zinc/80/89/88/1067808988.db2.gz QIGRKILYGALFQU-UHFFFAOYSA-N 1 0 492.668 4.082 20 0 JIADRO C[N@H+](CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154135 1067810559 /nfs/dbraw/zinc/81/05/59/1067810559.db2.gz LUCAKXWDPHRUFE-NNWRFLSQSA-N 1 0 451.652 4.094 20 0 JIADRO COc1cc(Br)cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001357205940 1067818646 /nfs/dbraw/zinc/81/86/46/1067818646.db2.gz RCXZHZYUZCFHRQ-IBGZPJMESA-N 1 0 455.356 4.354 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)cc1C ZINC001300164373 1067821561 /nfs/dbraw/zinc/82/15/61/1067821561.db2.gz QKVGDBKSVXTDDJ-UHFFFAOYSA-N 1 0 487.446 4.475 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)cc1F ZINC001300164392 1067821829 /nfs/dbraw/zinc/82/18/29/1067821829.db2.gz QWLUUCNNRDUGDP-UHFFFAOYSA-N 1 0 479.398 4.160 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300164408 1067821886 /nfs/dbraw/zinc/82/18/86/1067821886.db2.gz RIKPZMIRMQXXJX-UHFFFAOYSA-N 1 0 475.435 4.269 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492584891 1067823345 /nfs/dbraw/zinc/82/33/45/1067823345.db2.gz UXKAWFLTLMOKDB-RSEQLOHWSA-N 1 0 494.728 4.429 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC001300165867 1067824136 /nfs/dbraw/zinc/82/41/36/1067824136.db2.gz ICLLOWYTJPCYBZ-PMACEKPBSA-N 1 0 478.641 4.367 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001492585228 1067826035 /nfs/dbraw/zinc/82/60/35/1067826035.db2.gz BJLMXWHMQNXOJC-UHFFFAOYSA-N 1 0 496.700 4.356 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2CCC(C)CC2)cc1O ZINC001300169275 1067827245 /nfs/dbraw/zinc/82/72/45/1067827245.db2.gz CNZFOLSVOTYCRS-JOCHJYFZSA-N 1 0 471.646 4.035 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001300169300 1067827291 /nfs/dbraw/zinc/82/72/91/1067827291.db2.gz DCRYTHKIUHZNDX-GOTSBHOMSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001300176110 1067835457 /nfs/dbraw/zinc/83/54/57/1067835457.db2.gz HHSFIUGEABKTOE-VXKWHMMOSA-N 1 0 492.668 4.105 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300176452 1067836533 /nfs/dbraw/zinc/83/65/33/1067836533.db2.gz TXZGUMNKCAISAX-HSZRJFAPSA-N 1 0 466.605 4.168 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC001300176606 1067837187 /nfs/dbraw/zinc/83/71/87/1067837187.db2.gz ZQDWVWNLJSTWAR-HXUWFJFHSA-N 1 0 466.605 4.313 20 0 JIADRO O=C(NCc1csc(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357386430 1067842438 /nfs/dbraw/zinc/84/24/38/1067842438.db2.gz FNTCLDQUJPRARD-IAGOWNOFSA-N 1 0 462.438 4.499 20 0 JIADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Br ZINC001357496665 1067859864 /nfs/dbraw/zinc/85/98/64/1067859864.db2.gz ZBIZFHGNBMRQEL-MISYRCLQSA-N 1 0 459.432 4.431 20 0 JIADRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1 ZINC001200223150 1067867038 /nfs/dbraw/zinc/86/70/38/1067867038.db2.gz SQRKJPHRGGFBEQ-UHFFFAOYSA-N 1 0 456.587 4.364 20 0 JIADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357605384 1067876282 /nfs/dbraw/zinc/87/62/82/1067876282.db2.gz OHRHTGMGODVXKD-NRFANRHFSA-N 1 0 458.603 4.085 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492559281 1067884395 /nfs/dbraw/zinc/88/43/95/1067884395.db2.gz WIGSSXLGEZQAMZ-FQEVSTJZSA-N 1 0 455.647 4.211 20 0 JIADRO COC(=O)COc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001357672069 1067884930 /nfs/dbraw/zinc/88/49/30/1067884930.db2.gz IDTBUSVMIPLOFI-IZZNHLLZSA-N 1 0 458.558 4.401 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@H]21 ZINC001473302429 1067887706 /nfs/dbraw/zinc/88/77/06/1067887706.db2.gz QBIJPYKAUPTDKK-MISYRCLQSA-N 1 0 456.612 4.034 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)cc1 ZINC001357711396 1067889999 /nfs/dbraw/zinc/88/99/99/1067889999.db2.gz JCJVHQODDOXCAF-GOSISDBHSA-N 1 0 459.537 4.259 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)C[C@H]21 ZINC001473302770 1067891097 /nfs/dbraw/zinc/89/10/97/1067891097.db2.gz WVEINAFMKZQVIW-SUYBPPKGSA-N 1 0 452.477 4.279 20 0 JIADRO COc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(OC)n1 ZINC001300223196 1067894737 /nfs/dbraw/zinc/89/47/37/1067894737.db2.gz CLFDYLBNGOGDMU-UHFFFAOYSA-N 1 0 496.681 4.260 20 0 JIADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001357798896 1067902567 /nfs/dbraw/zinc/90/25/67/1067902567.db2.gz OWZMWHILZUNHIY-CQSZACIVSA-N 1 0 455.352 4.041 20 0 JIADRO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001357830556 1067915730 /nfs/dbraw/zinc/91/57/30/1067915730.db2.gz INXOXDRCHJUEGJ-UHFFFAOYSA-N 1 0 451.636 4.425 20 0 JIADRO COc1ccc(COCCCn2c(C(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC001300232433 1067918998 /nfs/dbraw/zinc/91/89/98/1067918998.db2.gz VTPGUUPQDJCJPD-NRFANRHFSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccc(COCCCn2c(C(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001300232434 1067919043 /nfs/dbraw/zinc/91/90/43/1067919043.db2.gz VTPGUUPQDJCJPD-OAQYLSRUSA-N 1 0 455.647 4.328 20 0 JIADRO CC[C@H](C)CNC(=S)Nc1cc(-c2cccc(CN3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200270529 1067919730 /nfs/dbraw/zinc/91/97/30/1067919730.db2.gz XBOKSCRFTGXNFS-QFIPXVFZSA-N 1 0 495.737 4.270 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300236919 1067931254 /nfs/dbraw/zinc/93/12/54/1067931254.db2.gz BTSPUYFIVDREMZ-LJQANCHMSA-N 1 0 464.054 4.276 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC001357903951 1067935848 /nfs/dbraw/zinc/93/58/48/1067935848.db2.gz CZLROYWTGVOXDB-ISKFKSNPSA-N 1 0 455.002 4.029 20 0 JIADRO COc1ccc(F)cc1Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300244166 1067962213 /nfs/dbraw/zinc/96/22/13/1067962213.db2.gz ZAKMCSYIHNNDHF-UHFFFAOYSA-N 1 0 452.578 4.094 20 0 JIADRO C[C@@]1(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[N@H+](Cc2ccccc2)C1 ZINC001200294913 1068004880 /nfs/dbraw/zinc/00/48/80/1068004880.db2.gz HVDIPUQJXYTHCK-JOCHJYFZSA-N 1 0 454.372 4.421 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001300253986 1068010000 /nfs/dbraw/zinc/01/00/00/1068010000.db2.gz NVMIPPJTPMRFKA-SFHVURJKSA-N 1 0 477.600 4.446 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)CC1 ZINC001358076853 1068012008 /nfs/dbraw/zinc/01/20/08/1068012008.db2.gz FVFHSGJDMTVQJS-UXHICEINSA-N 1 0 453.606 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2C)CC1 ZINC001358077581 1068012722 /nfs/dbraw/zinc/01/27/22/1068012722.db2.gz MXRCOOUFYPNCOY-SFHVURJKSA-N 1 0 453.537 4.092 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)Cn2ccc3ccccc32)cc1OC ZINC001358086024 1068015971 /nfs/dbraw/zinc/01/59/71/1068015971.db2.gz SJFYBPDGIDSUGD-UHFFFAOYSA-N 1 0 456.974 4.014 20 0 JIADRO COc1ccc(OC2CCN(c3nnc([C@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001300261570 1068025734 /nfs/dbraw/zinc/02/57/34/1068025734.db2.gz USKGHOGATHMCCW-QFIPXVFZSA-N 1 0 485.673 4.347 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)C1 ZINC001353323695 1068027000 /nfs/dbraw/zinc/02/70/00/1068027000.db2.gz CJMHXULIMVURNB-YCRPNKLZSA-N 1 0 457.368 4.401 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300263602 1068030029 /nfs/dbraw/zinc/03/00/29/1068030029.db2.gz JOIONHDYDHKYJP-DEOSSOPVSA-N 1 0 487.695 4.309 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300263701 1068030645 /nfs/dbraw/zinc/03/06/45/1068030645.db2.gz MQEGTTSPXJBETC-UHFFFAOYSA-N 1 0 464.614 4.162 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300264527 1068033142 /nfs/dbraw/zinc/03/31/42/1068033142.db2.gz HTMRGCJEWADWPH-ROUUACIJSA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300266826 1068038669 /nfs/dbraw/zinc/03/86/69/1068038669.db2.gz JWPXCZARGYJHSQ-DEOSSOPVSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300267825 1068040986 /nfs/dbraw/zinc/04/09/86/1068040986.db2.gz PHZUFZFZSYDFFF-UHFFFAOYSA-N 1 0 487.592 4.082 20 0 JIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC001473355948 1068045675 /nfs/dbraw/zinc/04/56/75/1068045675.db2.gz NYHUMMHAFQKSMB-AWEZNQCLSA-N 1 0 452.555 4.439 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001492564293 1068051589 /nfs/dbraw/zinc/05/15/89/1068051589.db2.gz CTXWYCWIUHSYAC-FPOVZHCZSA-N 1 0 480.613 4.253 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300272596 1068053978 /nfs/dbraw/zinc/05/39/78/1068053978.db2.gz XLEJCRUNKYWKRJ-YPAWHYETSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1ccc(N(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001473360292 1068058815 /nfs/dbraw/zinc/05/88/15/1068058815.db2.gz NHXYPODLOUVCRI-CPJSRVTESA-N 1 0 452.620 4.177 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001300279499 1068068137 /nfs/dbraw/zinc/06/81/37/1068068137.db2.gz BNLGODRPSPGCON-HFZDXXHNSA-N 1 0 485.673 4.284 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCOCC1CCOCC1 ZINC001492564942 1068073233 /nfs/dbraw/zinc/07/32/33/1068073233.db2.gz YAVGUXJJXHFFFU-UHFFFAOYSA-N 1 0 455.647 4.054 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)c2ccccn2)cc1 ZINC001300285080 1068082828 /nfs/dbraw/zinc/08/28/28/1068082828.db2.gz ZHZZSIUOHNKWNX-UHFFFAOYSA-N 1 0 478.641 4.205 20 0 JIADRO O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001358443601 1068093004 /nfs/dbraw/zinc/09/30/04/1068093004.db2.gz KOQNSTLSMARVFB-IBGZPJMESA-N 1 0 451.493 4.220 20 0 JIADRO CSc1cccc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C2CC[NH+](C)CC2)c1 ZINC001353445725 1068139927 /nfs/dbraw/zinc/13/99/27/1068139927.db2.gz VFWGRMSBTLGRND-DEOSSOPVSA-N 1 0 450.608 4.060 20 0 JIADRO COc1ccc(OCCCn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001300306438 1068164491 /nfs/dbraw/zinc/16/44/91/1068164491.db2.gz XPIZGXNYRFVLEC-UHFFFAOYSA-N 1 0 453.587 4.245 20 0 JIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3c(Cl)nccc3C(F)(F)F)cc2)CC1 ZINC001353484386 1068195481 /nfs/dbraw/zinc/19/54/81/1068195481.db2.gz ZESZGSNMOFTLNO-UHFFFAOYSA-N 1 0 455.868 4.222 20 0 JIADRO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001473544107 1068231826 /nfs/dbraw/zinc/23/18/26/1068231826.db2.gz WXWGJKBDZKDYHY-OAHLLOKOSA-N 1 0 451.633 4.068 20 0 JIADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001473551925 1068245723 /nfs/dbraw/zinc/24/57/23/1068245723.db2.gz SGVBXNOPPRUVAV-YJMBLLCNSA-N 1 0 481.678 4.274 20 0 JIADRO COCCSCCC[N@@H+]1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822702 1068285553 /nfs/dbraw/zinc/28/55/53/1068285553.db2.gz KMWONEKLMZVGNY-WOJBJXKFSA-N 1 0 450.645 4.386 20 0 JIADRO O=C(NC1CC1)c1ccc(NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000613439885 1068287059 /nfs/dbraw/zinc/28/70/59/1068287059.db2.gz CZELDPWNDZEEAU-UHFFFAOYSA-N 1 0 461.532 4.007 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)CC2)c1 ZINC001300333252 1068289091 /nfs/dbraw/zinc/28/90/91/1068289091.db2.gz QTDWCXKRJKJKCK-JOCHJYFZSA-N 1 0 498.716 4.183 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CCOCC2)[NH+](C)C)c1 ZINC001300333659 1068292386 /nfs/dbraw/zinc/29/23/86/1068292386.db2.gz CHMXOIDRVRTGKU-JOCHJYFZSA-N 1 0 485.032 4.168 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC[C@@H]2C)[NH+](C)C)c1 ZINC001300334404 1068300893 /nfs/dbraw/zinc/30/08/93/1068300893.db2.gz HHVGAKWRMKAHAX-LAUBAEHRSA-N 1 0 453.587 4.162 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)CC2)c1 ZINC001300334936 1068304482 /nfs/dbraw/zinc/30/44/82/1068304482.db2.gz LAANQRPUTGNOSL-NRFANRHFSA-N 1 0 468.690 4.243 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001300335213 1068305809 /nfs/dbraw/zinc/30/58/09/1068305809.db2.gz OCQQAEAMSFZLIH-QHCPKHFHSA-N 1 0 468.690 4.100 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)[NH+](C)C)c1 ZINC001300335262 1068306118 /nfs/dbraw/zinc/30/61/18/1068306118.db2.gz OXDWIOIRCOMWDE-HSZRJFAPSA-N 1 0 491.640 4.253 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300335591 1068307980 /nfs/dbraw/zinc/30/79/80/1068307980.db2.gz UOAUADSQJIBCNM-BJKOFHAPSA-N 1 0 478.641 4.436 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(F)(F)C2)[NH+](C)C)c1 ZINC001300336168 1068310743 /nfs/dbraw/zinc/31/07/43/1068310743.db2.gz ZECXSKDHSVSCAI-GOSISDBHSA-N 1 0 462.932 4.150 20 0 JIADRO CS(=O)(=O)NCCc1ccc(-c2csc(NC3CC[NH+](Cc4ccccc4)CC3)n2)s1 ZINC000518735342 1068311104 /nfs/dbraw/zinc/31/11/04/1068311104.db2.gz MGTXKLNKKGIBEL-UHFFFAOYSA-N 1 0 476.693 4.040 20 0 JIADRO CC[N@H+](CCCNC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C1CCCCC1 ZINC001300337755 1068314451 /nfs/dbraw/zinc/31/44/51/1068314451.db2.gz MSBJHTBSMFCMFC-UHFFFAOYSA-N 1 0 457.619 4.134 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)CC2CCOCC2)[NH+](C)C)c1 ZINC001300338551 1068317276 /nfs/dbraw/zinc/31/72/76/1068317276.db2.gz CKTDROQGIWWAFY-QHCPKHFHSA-N 1 0 469.655 4.105 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)cc1 ZINC000519873831 1068317366 /nfs/dbraw/zinc/31/73/66/1068317366.db2.gz SDLQGSRGZUUQIN-UHFFFAOYSA-N 1 0 474.671 4.222 20 0 JIADRO COc1ccc(CNc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000519900201 1068317601 /nfs/dbraw/zinc/31/76/01/1068317601.db2.gz DSKBOPBDRXAQRP-PXNSSMCTSA-N 1 0 483.663 4.030 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300338987 1068318453 /nfs/dbraw/zinc/31/84/53/1068318453.db2.gz FVUKSJLAKPJZQA-REWPJTCUSA-N 1 0 498.716 4.266 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)S[C@@H](C)C2)[NH+](C)C)c1 ZINC001300340129 1068321444 /nfs/dbraw/zinc/32/14/44/1068321444.db2.gz KZXXUQHVHFMWSZ-HOIFWPIMSA-N 1 0 486.711 4.276 20 0 JIADRO C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520165652 1068321767 /nfs/dbraw/zinc/32/17/67/1068321767.db2.gz VVCMXDUJWDYNDO-KXBFYZLASA-N 1 0 457.600 4.292 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(NC(=O)C(C)C)CC2)[NH+](C)C)c1 ZINC001300340656 1068323538 /nfs/dbraw/zinc/32/35/38/1068323538.db2.gz NERJEEYLXUJOJV-RUZDIDTESA-N 1 0 496.700 4.063 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000520475501 1068324060 /nfs/dbraw/zinc/32/40/60/1068324060.db2.gz WASYQVBPLMJUNA-HXUWFJFHSA-N 1 0 495.546 4.445 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC3(C2)CCOCC3)[NH+](C)C)c1 ZINC001300340804 1068325145 /nfs/dbraw/zinc/32/51/45/1068325145.db2.gz OZYAOBTYOIDYAB-JOCHJYFZSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)[NH+]2CCCC2)cc1 ZINC000520856328 1068328674 /nfs/dbraw/zinc/32/86/74/1068328674.db2.gz AZVYXZCMALRLOQ-OAQYLSRUSA-N 1 0 451.596 4.405 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)OC2CCCC2)[NH+](C)C)c1 ZINC001300342261 1068331093 /nfs/dbraw/zinc/33/10/93/1068331093.db2.gz VHFUXJUWVIDWDM-JOCHJYFZSA-N 1 0 470.643 4.256 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001300342491 1068331366 /nfs/dbraw/zinc/33/13/66/1068331366.db2.gz BPHZMSUOQQMHNH-UHFFFAOYSA-N 1 0 465.646 4.062 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN([C@H](C)c3nccs3)CC2)[NH+](C)C)c1 ZINC001300342728 1068332965 /nfs/dbraw/zinc/33/29/65/1068332965.db2.gz XUQPEHKZBIGGDM-NFBKMPQASA-N 1 0 497.713 4.128 20 0 JIADRO CC(C)(C)c1nnc(NC(=O)C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000521614685 1068334059 /nfs/dbraw/zinc/33/40/59/1068334059.db2.gz DYBZZVXEHZBNMA-UHFFFAOYSA-N 1 0 484.453 4.206 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)n1 ZINC000522380433 1068340167 /nfs/dbraw/zinc/34/01/67/1068340167.db2.gz WBCUDLCWNAQOOI-JRFVFWCSSA-N 1 0 459.594 4.010 20 0 JIADRO Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)c1C ZINC000523446535 1068345242 /nfs/dbraw/zinc/34/52/42/1068345242.db2.gz VSLBFPGSGRCUOC-UHFFFAOYSA-N 1 0 497.665 4.412 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001300346325 1068345361 /nfs/dbraw/zinc/34/53/61/1068345361.db2.gz WGUJWLPCFPTRRW-BURHJUHKSA-N 1 0 496.700 4.492 20 0 JIADRO CC(C)(C)n1ncc2c1nc(NCCCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)[nH]c2=O ZINC000524324687 1068351121 /nfs/dbraw/zinc/35/11/21/1068351121.db2.gz RRHHXSBIKJAJTL-UHFFFAOYSA-N 1 0 491.562 4.320 20 0 JIADRO Brc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001358869706 1068363403 /nfs/dbraw/zinc/36/34/03/1068363403.db2.gz TYMBUTLBOQOOOF-UHFFFAOYSA-N 1 0 493.247 4.458 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001300360510 1068386746 /nfs/dbraw/zinc/38/67/46/1068386746.db2.gz DSNUAJHRWITIRS-ZJOUEHCJSA-N 1 0 498.672 4.176 20 0 JIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC001353637263 1068390099 /nfs/dbraw/zinc/39/00/99/1068390099.db2.gz RVUFOILEJXXQAF-HQPKTYMTSA-N 1 0 450.320 4.239 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300362297 1068392755 /nfs/dbraw/zinc/39/27/55/1068392755.db2.gz OIWMCTFXRHDESN-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300369453 1068416706 /nfs/dbraw/zinc/41/67/06/1068416706.db2.gz DUHBEUMJIKTHND-HDICACEKSA-N 1 0 463.573 4.077 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001300374627 1068440586 /nfs/dbraw/zinc/44/05/86/1068440586.db2.gz IMILXALYLGLGFQ-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO CC(C)(C)OC(=O)c1ccc(-c2nccnc2NC(=S)NCC[NH+]2CCCCC2)cc1F ZINC001200417821 1068465498 /nfs/dbraw/zinc/46/54/98/1068465498.db2.gz HPOPHXOQBQTKME-UHFFFAOYSA-N 1 0 459.591 4.010 20 0 JIADRO S=C(NCC[NH+]1CCCCC1)Nc1nc(Cl)c(Br)cc1Br ZINC001200418858 1068469862 /nfs/dbraw/zinc/46/98/62/1068469862.db2.gz SFZPUFMCQAYALF-UHFFFAOYSA-N 1 0 456.635 4.032 20 0 JIADRO CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)Oc2ccccc21 ZINC001200421576 1068475165 /nfs/dbraw/zinc/47/51/65/1068475165.db2.gz LQUWMXDUCIPPLL-QFIPXVFZSA-N 1 0 486.726 4.006 20 0 JIADRO C[C@@H](NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001353705049 1068485360 /nfs/dbraw/zinc/48/53/60/1068485360.db2.gz PHRAURCANJMFAZ-ZTIWFVSMSA-N 1 0 458.562 4.165 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC[C@H](C)C2)c1 ZINC001300389512 1068501227 /nfs/dbraw/zinc/50/12/27/1068501227.db2.gz PLLHVOUNYQXILZ-PMACEKPBSA-N 1 0 495.590 4.481 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cccc(F)c2)C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200428405 1068505774 /nfs/dbraw/zinc/50/57/74/1068505774.db2.gz PXIRGNWRABOCAE-QFIPXVFZSA-N 1 0 478.678 4.388 20 0 JIADRO CCn1c2ccccc2c2cc(C[NH2+]CC3CCN(S(=O)(=O)C(F)(F)F)CC3)ccc21 ZINC001200449806 1068595232 /nfs/dbraw/zinc/59/52/32/1068595232.db2.gz IISHBDVGDUVJDF-UHFFFAOYSA-N 1 0 453.530 4.466 20 0 JIADRO COc1cccc(CCn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001300415422 1068608577 /nfs/dbraw/zinc/60/85/77/1068608577.db2.gz KENVTGDXXPUULB-UHFFFAOYSA-N 1 0 462.642 4.073 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300419798 1068626240 /nfs/dbraw/zinc/62/62/40/1068626240.db2.gz LIXQYOXYHYXMSD-GOSISDBHSA-N 1 0 455.006 4.370 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001300420889 1068634770 /nfs/dbraw/zinc/63/47/70/1068634770.db2.gz MVJHLOSMPNUFDQ-DRLORSAXSA-N 1 0 487.714 4.279 20 0 JIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)C1 ZINC001200462344 1068649973 /nfs/dbraw/zinc/64/99/73/1068649973.db2.gz DDASMJSPCIZYAU-NRFANRHFSA-N 1 0 457.640 4.435 20 0 JIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)C1 ZINC001200462345 1068650082 /nfs/dbraw/zinc/65/00/82/1068650082.db2.gz DDASMJSPCIZYAU-OAQYLSRUSA-N 1 0 457.640 4.435 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](C)C)c1 ZINC001300427158 1068663315 /nfs/dbraw/zinc/66/33/15/1068663315.db2.gz VDBUZUYVFWEBFH-MNPDLOSFSA-N 1 0 499.700 4.341 20 0 JIADRO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](C)C)c1 ZINC001300427381 1068664780 /nfs/dbraw/zinc/66/47/80/1068664780.db2.gz XXCITFSDBXNXOO-AVRDEDQJSA-N 1 0 485.032 4.138 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+](C)C)c1 ZINC001300427385 1068664972 /nfs/dbraw/zinc/66/49/72/1068664972.db2.gz XXCITFSDBXNXOO-PGRDOPGGSA-N 1 0 485.032 4.138 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001353856887 1068673720 /nfs/dbraw/zinc/67/37/20/1068673720.db2.gz VZCDYXLLPBMDJR-AUSIDOKSSA-N 1 0 453.583 4.237 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300437341 1068701156 /nfs/dbraw/zinc/70/11/56/1068701156.db2.gz NSEVHZDSENSVNH-ZFGGDYGUSA-N 1 0 485.673 4.093 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300440143 1068712446 /nfs/dbraw/zinc/71/24/46/1068712446.db2.gz QENLIAAJELIILA-RTWAWAEBSA-N 1 0 486.680 4.461 20 0 JIADRO COc1cccc(Cl)c1Cn1c(CC(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300440728 1068713733 /nfs/dbraw/zinc/71/37/33/1068713733.db2.gz XAYBJDHEMGAGNL-NHCUHLMSSA-N 1 0 489.108 4.182 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC001300447006 1068740310 /nfs/dbraw/zinc/74/03/10/1068740310.db2.gz SMBAWISKCJTRGA-NRFANRHFSA-N 1 0 455.647 4.407 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300463811 1068801707 /nfs/dbraw/zinc/80/17/07/1068801707.db2.gz FWWJTZPWMPLMII-MQSCRBSSSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300465998 1068804788 /nfs/dbraw/zinc/80/47/88/1068804788.db2.gz LOQIDRPNOYEUDP-CTNGQTDRSA-N 1 0 484.670 4.007 20 0 JIADRO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1OC ZINC001200522449 1068814557 /nfs/dbraw/zinc/81/45/57/1068814557.db2.gz CXNXODQMVMEOBK-UHFFFAOYSA-N 1 0 467.557 4.351 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+](C)C(C)C ZINC001300480308 1068832990 /nfs/dbraw/zinc/83/29/90/1068832990.db2.gz XWGCFXRGFGVSHY-XMSQKQJNSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300480425 1068833343 /nfs/dbraw/zinc/83/33/43/1068833343.db2.gz AALWXMUHQSBXDR-IBGZPJMESA-N 1 0 460.420 4.173 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001492568192 1068842027 /nfs/dbraw/zinc/84/20/27/1068842027.db2.gz LTVWUUGNAPLLMX-FQEVSTJZSA-N 1 0 456.635 4.039 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300485518 1068844564 /nfs/dbraw/zinc/84/45/64/1068844564.db2.gz YQOIIQFJPIWWPV-GSPPDTAYSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300486554 1068847819 /nfs/dbraw/zinc/84/78/19/1068847819.db2.gz ZQZBTJMGUJMBSM-HSZRJFAPSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cc(NC(=S)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(OC)cc1Cl ZINC001200535803 1068848652 /nfs/dbraw/zinc/84/86/52/1068848652.db2.gz PKRPQQPKOIGRQB-UHFFFAOYSA-N 1 0 491.057 4.064 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3cc(OC)c(Cl)cc3OC)cc2F)CC1 ZINC001200540713 1068856500 /nfs/dbraw/zinc/85/65/00/1068856500.db2.gz WZDSWCJLSKDVDR-UHFFFAOYSA-N 1 0 452.983 4.447 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300494887 1068863234 /nfs/dbraw/zinc/86/32/34/1068863234.db2.gz YOPYZUIHXVPQNT-SANMLTNESA-N 1 0 455.647 4.471 20 0 JIADRO COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001200548543 1068868446 /nfs/dbraw/zinc/86/84/46/1068868446.db2.gz GFSGNTZFHRMICC-LADGPHEKSA-N 1 0 450.583 4.403 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001300506742 1068879605 /nfs/dbraw/zinc/87/96/05/1068879605.db2.gz WPZPVCRWMOEDTF-FQEVSTJZSA-N 1 0 486.661 4.035 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001300506887 1068880268 /nfs/dbraw/zinc/88/02/68/1068880268.db2.gz FKBWPZRIYQOMAA-LJQANCHMSA-N 1 0 482.595 4.145 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[C@@H]1C ZINC001300513775 1068894951 /nfs/dbraw/zinc/89/49/51/1068894951.db2.gz QBEXNFDSPQDYHM-VQTJNVASSA-N 1 0 495.590 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300515317 1068897681 /nfs/dbraw/zinc/89/76/81/1068897681.db2.gz SXNCXRNYWVCUCK-NHCUHLMSSA-N 1 0 498.672 4.178 20 0 JIADRO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@@H+]1C ZINC001354119008 1068909332 /nfs/dbraw/zinc/90/93/32/1068909332.db2.gz XLKXGEWWQNEUOR-WBVHZDCISA-N 1 0 456.637 4.238 20 0 JIADRO C[C@@H]1C[C@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@@H+]1C ZINC001354119006 1068909366 /nfs/dbraw/zinc/90/93/66/1068909366.db2.gz XLKXGEWWQNEUOR-NVXWUHKLSA-N 1 0 456.637 4.238 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146544 1068929884 /nfs/dbraw/zinc/92/98/84/1068929884.db2.gz BVDQNQIJCSVRLD-GGAORHGYSA-N 1 0 454.014 4.059 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146543 1068929995 /nfs/dbraw/zinc/92/99/95/1068929995.db2.gz BVDQNQIJCSVRLD-FYYLOGMGSA-N 1 0 454.014 4.059 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300531277 1068943058 /nfs/dbraw/zinc/94/30/58/1068943058.db2.gz WEWGXFSYSYVOAW-DHIUTWEWSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCC1 ZINC001300532865 1068947838 /nfs/dbraw/zinc/94/78/38/1068947838.db2.gz RYHROCGDSNENGE-NRFANRHFSA-N 1 0 479.673 4.090 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300535498 1068954710 /nfs/dbraw/zinc/95/47/10/1068954710.db2.gz JSONGGCQYNXTES-QGZVFWFLSA-N 1 0 488.430 4.354 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300536107 1068955663 /nfs/dbraw/zinc/95/56/63/1068955663.db2.gz OPDNAOYWSBPGKR-OAQYLSRUSA-N 1 0 480.638 4.483 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492569387 1068971893 /nfs/dbraw/zinc/97/18/93/1068971893.db2.gz VEZXOSLEARNVRO-ZDXQCDESSA-N 1 0 480.701 4.315 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492568682 1068977136 /nfs/dbraw/zinc/97/71/36/1068977136.db2.gz WEAUMBGRDBQRGJ-NRFANRHFSA-N 1 0 480.682 4.313 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@@H]1c1cccs1 ZINC001354210050 1068980584 /nfs/dbraw/zinc/98/05/84/1068980584.db2.gz NIUZRZJIODGNJD-BFUOFWGJSA-N 1 0 450.395 4.449 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300552753 1069003831 /nfs/dbraw/zinc/00/38/31/1069003831.db2.gz VJTOVUOOHCGSAU-CJFMBICVSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCc1c(C)noc1C ZINC001300555618 1069010561 /nfs/dbraw/zinc/01/05/61/1069010561.db2.gz FPIRIUWUVCJETA-UHFFFAOYSA-N 1 0 480.657 4.282 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCOC(F)(F)F ZINC001300556401 1069012607 /nfs/dbraw/zinc/01/26/07/1069012607.db2.gz OKJQWHUEDSHISQ-LJQANCHMSA-N 1 0 481.563 4.116 20 0 JIADRO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C3CC[NH+](C)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849388072 1069028734 /nfs/dbraw/zinc/02/87/34/1069028734.db2.gz ZKFGDAIWYKCVRC-WNCULLNHSA-N 1 0 479.621 4.049 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001492589138 1069036940 /nfs/dbraw/zinc/03/69/40/1069036940.db2.gz MMQGUFKBZIRRER-NFBKMPQASA-N 1 0 482.673 4.013 20 0 JIADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001200613069 1069038711 /nfs/dbraw/zinc/03/87/11/1069038711.db2.gz OUHXYQBNDQIJSD-UHFFFAOYSA-N 1 0 456.974 4.359 20 0 JIADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001354276741 1069051843 /nfs/dbraw/zinc/05/18/43/1069051843.db2.gz OOPNVHUEGPKWJO-AWEZNQCLSA-N 1 0 451.792 4.085 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482606 1069051922 /nfs/dbraw/zinc/05/19/22/1069051922.db2.gz RWYAJEVUZJTIKJ-VSGBNLITSA-N 1 0 485.676 4.168 20 0 JIADRO COc1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486653 1069053734 /nfs/dbraw/zinc/05/37/34/1069053734.db2.gz LLNACJMSEUYEJV-LOSJGSFVSA-N 1 0 476.621 4.138 20 0 JIADRO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849488332 1069053905 /nfs/dbraw/zinc/05/39/05/1069053905.db2.gz RNPDYTZFNCMKBJ-GOTSBHOMSA-N 1 0 474.634 4.028 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccc(OC)cc2)cc1 ZINC000849487948 1069054543 /nfs/dbraw/zinc/05/45/43/1069054543.db2.gz QHHGETSSVNDYAN-IARZGTGTSA-N 1 0 490.648 4.351 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H]2CSC)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566484 1069058041 /nfs/dbraw/zinc/05/80/41/1069058041.db2.gz BZVSGTDAZOVACN-IRLDBZIGSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849492724 1069062783 /nfs/dbraw/zinc/06/27/83/1069062783.db2.gz XTQNHAUWFRWGHN-ISKFKSNPSA-N 1 0 476.577 4.101 20 0 JIADRO COc1cc(CN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492447 1069062822 /nfs/dbraw/zinc/06/28/22/1069062822.db2.gz WZRUIGFZXCSCHO-SFTDATJTSA-N 1 0 476.568 4.035 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849495026 1069065995 /nfs/dbraw/zinc/06/59/95/1069065995.db2.gz ANLURWHLHVIMQB-BHDDXSALSA-N 1 0 492.451 4.171 20 0 JIADRO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849496359 1069067542 /nfs/dbraw/zinc/06/75/42/1069067542.db2.gz JWTFCLJFMIICHV-PZJWPPBQSA-N 1 0 460.022 4.008 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849497298 1069068587 /nfs/dbraw/zinc/06/85/87/1069068587.db2.gz OBBUAYZHFMIPJV-ICSRJNTNSA-N 1 0 484.442 4.063 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(C)(C)C(F)(F)F ZINC001300568790 1069069202 /nfs/dbraw/zinc/06/92/02/1069069202.db2.gz YMMIDQXZHKCMRC-UHFFFAOYSA-N 1 0 453.553 4.387 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497804 1069069375 /nfs/dbraw/zinc/06/93/75/1069069375.db2.gz QPHIRRXFLFYLEB-LEWJYISDSA-N 1 0 477.422 4.327 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497809 1069069415 /nfs/dbraw/zinc/06/94/15/1069069415.db2.gz QPHIRRXFLFYLEB-NHCUHLMSSA-N 1 0 477.422 4.327 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499298 1069069513 /nfs/dbraw/zinc/06/95/13/1069069513.db2.gz VDXRKXZATNJCRW-BJKOFHAPSA-N 1 0 498.096 4.182 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849499759 1069071201 /nfs/dbraw/zinc/07/12/01/1069071201.db2.gz FLKXVGPACRGTAO-WOJBJXKFSA-N 1 0 450.505 4.112 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849499756 1069071346 /nfs/dbraw/zinc/07/13/46/1069071346.db2.gz FLKXVGPACRGTAO-UXHICEINSA-N 1 0 450.505 4.112 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849500142 1069072141 /nfs/dbraw/zinc/07/21/41/1069072141.db2.gz GRFOWMFEZDAYAC-SVBPBHIXSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500374 1069072151 /nfs/dbraw/zinc/07/21/51/1069072151.db2.gz HSYBYZRNIBKPQQ-GSDHBNRESA-N 1 0 491.705 4.211 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849500138 1069072203 /nfs/dbraw/zinc/07/22/03/1069072203.db2.gz GRFOWMFEZDAYAC-KAYWLYCHSA-N 1 0 460.622 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501896 1069074638 /nfs/dbraw/zinc/07/46/38/1069074638.db2.gz XWCIYHZHCLBBJL-YMSRPXOMSA-N 1 0 461.610 4.085 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849503409 1069077666 /nfs/dbraw/zinc/07/76/66/1069077666.db2.gz ITJLXENIUJMIOF-PKTZIBPZSA-N 1 0 477.584 4.193 20 0 JIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849503542 1069079540 /nfs/dbraw/zinc/07/95/40/1069079540.db2.gz JGBZJCMNUOYNOS-ZEQRLZLVSA-N 1 0 465.642 4.053 20 0 JIADRO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849503461 1069079617 /nfs/dbraw/zinc/07/96/17/1069079617.db2.gz YAVPFBUUIYPRAG-OYUWMTPXSA-N 1 0 494.680 4.210 20 0 JIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849503539 1069079670 /nfs/dbraw/zinc/07/96/70/1069079670.db2.gz JGBZJCMNUOYNOS-BJKOFHAPSA-N 1 0 465.642 4.053 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849503929 1069082501 /nfs/dbraw/zinc/08/25/01/1069082501.db2.gz AEGMYJQWATVHAO-DQEYMECFSA-N 1 0 465.642 4.277 20 0 JIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849503729 1069083579 /nfs/dbraw/zinc/08/35/79/1069083579.db2.gz KNDWKSIHHJCSHV-RPWUZVMVSA-N 1 0 453.631 4.135 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504688 1069084418 /nfs/dbraw/zinc/08/44/18/1069084418.db2.gz PPXZJMWUTHVEIM-DNQXCXABSA-N 1 0 463.557 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505736 1069086306 /nfs/dbraw/zinc/08/63/06/1069086306.db2.gz JBCAPDAQNUIDTN-IZZNHLLZSA-N 1 0 465.686 4.317 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCSCc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849506076 1069086332 /nfs/dbraw/zinc/08/63/32/1069086332.db2.gz LBCRMGFXSITCRM-LOSJGSFVSA-N 1 0 450.652 4.437 20 0 JIADRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849507235 1069087044 /nfs/dbraw/zinc/08/70/44/1069087044.db2.gz PPUBVQMDQYZYNS-UKILVPOCSA-N 1 0 462.642 4.004 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508656 1069090772 /nfs/dbraw/zinc/09/07/72/1069090772.db2.gz AKVBLCZTOHQWEC-RPWUZVMVSA-N 1 0 492.023 4.227 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492575028 1069091243 /nfs/dbraw/zinc/09/12/43/1069091243.db2.gz GEMCQMSLYPICRO-GPUOULLFSA-N 1 0 453.675 4.429 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510152 1069091791 /nfs/dbraw/zinc/09/17/91/1069091791.db2.gz OJPAOEQBEPIHLX-JIMJEQGWSA-N 1 0 464.585 4.288 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510155 1069091822 /nfs/dbraw/zinc/09/18/22/1069091822.db2.gz OJPAOEQBEPIHLX-UODIDJSMSA-N 1 0 464.585 4.288 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300574606 1069094586 /nfs/dbraw/zinc/09/45/86/1069094586.db2.gz ZQJHIXFRHDSTIE-PKTZIBPZSA-N 1 0 469.674 4.249 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511124 1069094739 /nfs/dbraw/zinc/09/47/39/1069094739.db2.gz NYRBPGSVZKRBSM-LEWJYISDSA-N 1 0 472.420 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849511808 1069096317 /nfs/dbraw/zinc/09/63/17/1069096317.db2.gz USYCLJLLDWXDOG-OALUTQOASA-N 1 0 453.414 4.126 20 0 JIADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849513370 1069097441 /nfs/dbraw/zinc/09/74/41/1069097441.db2.gz SAYPGGNZUZGSQQ-BJKOFHAPSA-N 1 0 467.589 4.121 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514911 1069099796 /nfs/dbraw/zinc/09/97/96/1069099796.db2.gz JRVQJOTZBMOKQU-JWQCQUIFSA-N 1 0 496.633 4.069 20 0 JIADRO Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@H]4CC[N@@H+](C)C[C@H]4c4cnn(C)c4)cc3s2)s1 ZINC000849516432 1069100729 /nfs/dbraw/zinc/10/07/29/1069100729.db2.gz PNLQJILTUBTNBS-ROUUACIJSA-N 1 0 494.646 4.326 20 0 JIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849515728 1069101693 /nfs/dbraw/zinc/10/16/93/1069101693.db2.gz MRGYAFFPUIGBPJ-LEWJYISDSA-N 1 0 450.612 4.122 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516999 1069103252 /nfs/dbraw/zinc/10/32/52/1069103252.db2.gz LZCOTWDRSRYYOL-RPBOFIJWSA-N 1 0 468.605 4.314 20 0 JIADRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520089 1069112078 /nfs/dbraw/zinc/11/20/78/1069112078.db2.gz VPFRDDQRQUWIHO-RPWUZVMVSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520488 1069113195 /nfs/dbraw/zinc/11/31/95/1069113195.db2.gz NHKUYKBXJGDPRR-PKTZIBPZSA-N 1 0 477.584 4.193 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300580409 1069114045 /nfs/dbraw/zinc/11/40/45/1069114045.db2.gz SRNQCNOGFRIIAK-BHIYHBOVSA-N 1 0 477.531 4.408 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522702 1069116426 /nfs/dbraw/zinc/11/64/26/1069116426.db2.gz NKRSJHYAQPQGCY-IFMALSPDSA-N 1 0 472.033 4.152 20 0 JIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849524311 1069116665 /nfs/dbraw/zinc/11/66/65/1069116665.db2.gz ZULUTIADWVZCRI-DQEYMECFSA-N 1 0 454.659 4.363 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849524099 1069117507 /nfs/dbraw/zinc/11/75/07/1069117507.db2.gz YSCYGKVPIQAUBL-SGXKBVARSA-N 1 0 483.415 4.280 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849525095 1069118266 /nfs/dbraw/zinc/11/82/66/1069118266.db2.gz LQHPQSWSMNRWPM-JLSDUUJJSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2Oc2cccc(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849525765 1069122245 /nfs/dbraw/zinc/12/22/45/1069122245.db2.gz OLPJFYUDITXWAK-ZEQRLZLVSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849527946 1069126856 /nfs/dbraw/zinc/12/68/56/1069126856.db2.gz XWTSWYPYSMSDOP-DHIUTWEWSA-N 1 0 480.634 4.300 20 0 JIADRO COc1cccc([C@H](CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)[NH+]2CCCC2)c1 ZINC000504213673 1069134726 /nfs/dbraw/zinc/13/47/26/1069134726.db2.gz WGTVGTYZSYVWJL-FQEVSTJZSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)s2)c1 ZINC000504234372 1069152115 /nfs/dbraw/zinc/15/21/15/1069152115.db2.gz CYRVCGDVLHESQI-UHFFFAOYSA-N 1 0 461.538 4.011 20 0 JIADRO CCN(CC(=O)N1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1)Cc1ccccc1Cl ZINC000849544078 1069176856 /nfs/dbraw/zinc/17/68/56/1069176856.db2.gz XJWAGHKYMFCCOM-XMMPIXPASA-N 1 0 459.034 4.395 20 0 JIADRO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300600187 1069185724 /nfs/dbraw/zinc/18/57/24/1069185724.db2.gz VKDMNXZNAJVDIA-HFMPRLQTSA-N 1 0 455.647 4.149 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849549695 1069191024 /nfs/dbraw/zinc/19/10/24/1069191024.db2.gz VTIZEDFLHWRBLU-IAGOWNOFSA-N 1 0 458.912 4.467 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c(C)c1 ZINC000849552486 1069192154 /nfs/dbraw/zinc/19/21/54/1069192154.db2.gz IUHLNRWJAAJVNI-PFATUAPWSA-N 1 0 467.013 4.332 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554236 1069196937 /nfs/dbraw/zinc/19/69/37/1069196937.db2.gz VJMCPECYVWJFPH-YADHBBJMSA-N 1 0 473.459 4.236 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554234 1069197300 /nfs/dbraw/zinc/19/73/00/1069197300.db2.gz VJMCPECYVWJFPH-FGZHOGPDSA-N 1 0 473.459 4.236 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555190 1069199406 /nfs/dbraw/zinc/19/94/06/1069199406.db2.gz QAJPDZFKJJLVFM-FJIJXJHWSA-N 1 0 470.589 4.361 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555194 1069199567 /nfs/dbraw/zinc/19/95/67/1069199567.db2.gz QAJPDZFKJJLVFM-SSPYTLHUSA-N 1 0 470.589 4.361 20 0 JIADRO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555192 1069199774 /nfs/dbraw/zinc/19/97/74/1069199774.db2.gz QAJPDZFKJJLVFM-SFLYRZDNSA-N 1 0 470.589 4.361 20 0 JIADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556205 1069201214 /nfs/dbraw/zinc/20/12/14/1069201214.db2.gz AZKJAIMCOOTSHZ-KMDXXIMOSA-N 1 0 454.977 4.496 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000849557030 1069204403 /nfs/dbraw/zinc/20/44/03/1069204403.db2.gz YDJNVLABNNVXNW-RPWUZVMVSA-N 1 0 452.599 4.420 20 0 JIADRO C[C@H](NC1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC001200661175 1069205566 /nfs/dbraw/zinc/20/55/66/1069205566.db2.gz JTISAFVLAJMWTM-QFIPXVFZSA-N 1 0 451.611 4.277 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849557515 1069205779 /nfs/dbraw/zinc/20/57/79/1069205779.db2.gz IEVHHKVYUXGHJR-ZEQRLZLVSA-N 1 0 451.615 4.392 20 0 JIADRO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849560957 1069209870 /nfs/dbraw/zinc/20/98/70/1069209870.db2.gz CLABSGLRVNVNHK-DNQXCXABSA-N 1 0 490.604 4.238 20 0 JIADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849560671 1069210612 /nfs/dbraw/zinc/21/06/12/1069210612.db2.gz DKADEKVCYKJMCU-QHAWAJNXSA-N 1 0 461.448 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849564331 1069214344 /nfs/dbraw/zinc/21/43/44/1069214344.db2.gz USXTUBIPLQTGQZ-ZEQRLZLVSA-N 1 0 489.705 4.310 20 0 JIADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001354427503 1069216045 /nfs/dbraw/zinc/21/60/45/1069216045.db2.gz RIVGAGGVDVORAP-UHFFFAOYSA-N 1 0 475.559 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849565949 1069216499 /nfs/dbraw/zinc/21/64/99/1069216499.db2.gz XOOWPSUBCVRJLC-NHCUHLMSSA-N 1 0 499.413 4.218 20 0 JIADRO Cc1sc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565666 1069217310 /nfs/dbraw/zinc/21/73/10/1069217310.db2.gz ZJARUQUZZNOLTP-PNHOKKKMSA-N 1 0 458.031 4.418 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849567372 1069217907 /nfs/dbraw/zinc/21/79/07/1069217907.db2.gz GTNIICMPHAVXCF-HJNYFJLDSA-N 1 0 459.034 4.205 20 0 JIADRO COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CC[N@H+](C)C[C@H]4c4cnn(C)c4)cc32)c1 ZINC000849566870 1069218376 /nfs/dbraw/zinc/21/83/76/1069218376.db2.gz FBTOEQCAERLATG-DQEYMECFSA-N 1 0 457.578 4.106 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568952 1069220470 /nfs/dbraw/zinc/22/04/70/1069220470.db2.gz QRCHQZAFVVJQSR-WUFINQPMSA-N 1 0 483.660 4.148 20 0 JIADRO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571043 1069222703 /nfs/dbraw/zinc/22/27/03/1069222703.db2.gz GJQVBEXYQGDBRQ-QZTJIDSGSA-N 1 0 473.419 4.005 20 0 JIADRO COCCOc1c(Cl)cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849573276 1069223903 /nfs/dbraw/zinc/22/39/03/1069223903.db2.gz RIDORZPBANFKOU-ROUUACIJSA-N 1 0 469.413 4.205 20 0 JIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849572698 1069224516 /nfs/dbraw/zinc/22/45/16/1069224516.db2.gz PDYMNUALYWCWGO-DHIUTWEWSA-N 1 0 462.642 4.010 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849574941 1069227887 /nfs/dbraw/zinc/22/78/87/1069227887.db2.gz YLULSZGIJSOPAE-OKZBNKHCSA-N 1 0 465.461 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849576121 1069229274 /nfs/dbraw/zinc/22/92/74/1069229274.db2.gz GVBOFPMNEKKXFY-GJZGRUSLSA-N 1 0 462.982 4.184 20 0 JIADRO CC(C)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578897 1069230408 /nfs/dbraw/zinc/23/04/08/1069230408.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 1 0 490.067 4.367 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849584521 1069234638 /nfs/dbraw/zinc/23/46/38/1069234638.db2.gz XOXBDYDMMPOTHJ-WDYCEAGBSA-N 1 0 451.398 4.181 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cn1 ZINC000849586215 1069236295 /nfs/dbraw/zinc/23/62/95/1069236295.db2.gz OJADRBQFDFAVGL-RTWAWAEBSA-N 1 0 462.985 4.146 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586150 1069236451 /nfs/dbraw/zinc/23/64/51/1069236451.db2.gz GIYCEDOVTRBFGR-PKTZIBPZSA-N 1 0 473.459 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849587566 1069240212 /nfs/dbraw/zinc/24/02/12/1069240212.db2.gz UJUXIEGBCWTCLI-HZPDHXFCSA-N 1 0 460.447 4.493 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849587594 1069240628 /nfs/dbraw/zinc/24/06/28/1069240628.db2.gz UZWGQRMPNTYWBU-PMACEKPBSA-N 1 0 488.474 4.258 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849590390 1069240956 /nfs/dbraw/zinc/24/09/56/1069240956.db2.gz YHYKDWHGTSVXOH-WOJBJXKFSA-N 1 0 488.474 4.258 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590248 1069241858 /nfs/dbraw/zinc/24/18/58/1069241858.db2.gz XYGDPHJDFDPCSC-GOTSBHOMSA-N 1 0 488.474 4.100 20 0 JIADRO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589754 1069242050 /nfs/dbraw/zinc/24/20/50/1069242050.db2.gz ZHWJHIIFKPUVDZ-NHCUHLMSSA-N 1 0 472.593 4.425 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849590998 1069242919 /nfs/dbraw/zinc/24/29/19/1069242919.db2.gz BGOATUOARPKYQE-HUUCEWRRSA-N 1 0 462.417 4.245 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300620733 1069243308 /nfs/dbraw/zinc/24/33/08/1069243308.db2.gz NYFVOZVBVRTNHN-NRFANRHFSA-N 1 0 478.641 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849592227 1069243870 /nfs/dbraw/zinc/24/38/70/1069243870.db2.gz NVCUPKGLWVHHER-HJOGWXRNSA-N 1 0 459.034 4.172 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849594157 1069246051 /nfs/dbraw/zinc/24/60/51/1069246051.db2.gz CWTIEFQXNAYINT-VQTJNVASSA-N 1 0 485.430 4.036 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)[C@H](c2cnn(C)c2)C1 ZINC000849595647 1069251098 /nfs/dbraw/zinc/25/10/98/1069251098.db2.gz JTQUSZFEDIPBJZ-KEIZBESESA-N 1 0 478.559 4.241 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC001300624230 1069253799 /nfs/dbraw/zinc/25/37/99/1069253799.db2.gz JFEFMGKOWGBJJS-WOJBJXKFSA-N 1 0 459.034 4.333 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849597999 1069253866 /nfs/dbraw/zinc/25/38/66/1069253866.db2.gz WOAYAYWXJFNWAT-WTIAFYNJSA-N 1 0 473.459 4.088 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599236 1069255345 /nfs/dbraw/zinc/25/53/45/1069255345.db2.gz MBXVGTZYAVSTFG-VQTJNVASSA-N 1 0 473.459 4.236 20 0 JIADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849599822 1069257037 /nfs/dbraw/zinc/25/70/37/1069257037.db2.gz BLGUGKFMCKKVBD-TUACAJSNSA-N 1 0 467.658 4.117 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849601450 1069257057 /nfs/dbraw/zinc/25/70/57/1069257057.db2.gz VQOGRQINIDPFHF-XZOQPEGZSA-N 1 0 461.025 4.461 20 0 JIADRO COCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000849601230 1069257649 /nfs/dbraw/zinc/25/76/49/1069257649.db2.gz UKRXSHXEYXBTEN-VSKRKVRLSA-N 1 0 466.548 4.147 20 0 JIADRO Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc(NC(=O)OC(C)(C)C)c1 ZINC000849601861 1069258459 /nfs/dbraw/zinc/25/84/59/1069258459.db2.gz XLJDLZJXQWCIHN-XZOQPEGZSA-N 1 0 469.630 4.206 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C2CCC(C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300626401 1069259634 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1069285812 /nfs/dbraw/zinc/28/58/12/1069285812.db2.gz FZDRWYZEMNJQKD-UQBPGWFLSA-N 1 0 472.605 4.307 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300639180 1069301465 /nfs/dbraw/zinc/30/14/65/1069301465.db2.gz INEPXWSSVZUZLT-NHCUHLMSSA-N 1 0 471.646 4.134 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492591706 1069306710 /nfs/dbraw/zinc/30/67/10/1069306710.db2.gz LWMHSTFPYQARPC-WNCULLNHSA-N 1 0 469.674 4.384 20 0 JIADRO Cc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001492591911 1069307910 /nfs/dbraw/zinc/30/79/10/1069307910.db2.gz SRNCQCCXLWPGRN-HSZRJFAPSA-N 1 0 475.641 4.381 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001300641750 1069309185 /nfs/dbraw/zinc/30/91/85/1069309185.db2.gz HRBKXXFUQVOROW-RLWLMLJZSA-N 1 0 485.673 4.284 20 0 JIADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc1)C2 ZINC001164401548 718854360 /nfs/dbraw/zinc/85/43/60/718854360.db2.gz BNIKKJORTNNILZ-IVZQSRNASA-N 1 0 476.980 4.063 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)n2)CC1 ZINC001164405014 718864380 /nfs/dbraw/zinc/86/43/80/718864380.db2.gz CEAJDZWNVOZKII-QUCCMNQESA-N 1 0 483.707 4.466 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424285 718919843 /nfs/dbraw/zinc/91/98/43/718919843.db2.gz MQQOJGPIUOKJEW-FQEVSTJZSA-N 1 0 458.336 4.186 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164613993 719019697 /nfs/dbraw/zinc/01/96/97/719019697.db2.gz BHIICELOVABLFF-MZPVMMEZSA-N 1 0 490.860 4.091 20 0 JIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629659 719072821 /nfs/dbraw/zinc/07/28/21/719072821.db2.gz YPQFMJKVAZPZST-QUCCMNQESA-N 1 0 476.955 4.343 20 0 JIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccc(Cl)cc3)C[C@H]2CF)CC1 ZINC001164624619 719119706 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/nfs/dbraw/zinc/34/50/99/719345099.db2.gz AELAEOQOEGRKAS-UHFFFAOYSA-N 1 0 453.660 4.175 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164660694 719354713 /nfs/dbraw/zinc/35/47/13/719354713.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 1 0 456.638 4.371 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680727 719665149 /nfs/dbraw/zinc/66/51/49/719665149.db2.gz IEZZYWBIEMKANB-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO CC(C)n1ccc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680365 719676319 /nfs/dbraw/zinc/67/63/19/719676319.db2.gz DCECLHAINNDIOW-OAQYLSRUSA-N 1 0 474.653 4.106 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c2ccccc21 ZINC001164682686 719678494 /nfs/dbraw/zinc/67/84/94/719678494.db2.gz PKJRGIRUFSYSKP-QFIPXVFZSA-N 1 0 487.623 4.376 20 0 JIADRO COc1ccccc1-c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686101 719678599 /nfs/dbraw/zinc/67/85/99/719678599.db2.gz WONBKNFDHZVJCK-JOCHJYFZSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4cccs4)ncn3)CC2)c2ccccc21 ZINC001164682972 719678870 /nfs/dbraw/zinc/67/88/70/719678870.db2.gz QGYKHYNNCLYFBH-FQEVSTJZSA-N 1 0 475.662 4.299 20 0 JIADRO COc1ccc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c(C)nc2c1 ZINC001164686968 719679082 /nfs/dbraw/zinc/67/90/82/719679082.db2.gz ZEXCZCRKYMFMPN-NRFANRHFSA-N 1 0 487.648 4.040 20 0 JIADRO CSCc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164681511 719679410 /nfs/dbraw/zinc/67/94/10/719679410.db2.gz MGHUALLDLXHEOA-OAQYLSRUSA-N 1 0 452.668 4.038 20 0 JIADRO CCSc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164687183 719682226 /nfs/dbraw/zinc/68/22/26/719682226.db2.gz QNHISOPWUGBRLO-HXUWFJFHSA-N 1 0 452.668 4.287 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CC2 ZINC001164689564 719748671 /nfs/dbraw/zinc/74/86/71/719748671.db2.gz IACIOZWXOMWMGZ-UHFFFAOYSA-N 1 0 466.935 4.267 20 0 JIADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693667 719808494 /nfs/dbraw/zinc/80/84/94/719808494.db2.gz QVOJAOQMXNQPPK-UHFFFAOYSA-N 1 0 451.596 4.206 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2c1 ZINC001164695673 719887475 /nfs/dbraw/zinc/88/74/75/719887475.db2.gz QIQARUXKQRHVDK-UHFFFAOYSA-N 1 0 472.998 4.003 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695352 719891619 /nfs/dbraw/zinc/89/16/19/719891619.db2.gz PEZQDATUNICYOQ-UHFFFAOYSA-N 1 0 487.025 4.393 20 0 JIADRO CCOC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2ccccc21 ZINC001164695056 719892025 /nfs/dbraw/zinc/89/20/25/719892025.db2.gz JSVTYEIOWDUPNC-UHFFFAOYSA-N 1 0 451.592 4.344 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164712158 720096407 /nfs/dbraw/zinc/09/64/07/720096407.db2.gz WBJCYEKWRMWZGH-KRWDZBQOSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164710045 720104401 /nfs/dbraw/zinc/10/44/01/720104401.db2.gz GEERUNSCNMZKLX-QHCPKHFHSA-N 1 0 498.071 4.264 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812630 720116227 /nfs/dbraw/zinc/11/62/27/720116227.db2.gz PJEXWCCTTDMBGA-DFBJGRDBSA-N 1 0 472.992 4.311 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164713027 720134914 /nfs/dbraw/zinc/13/49/14/720134914.db2.gz PBIPOUKMWHUUOM-DEOSSOPVSA-N 1 0 455.606 4.145 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164712273 720139716 /nfs/dbraw/zinc/13/97/16/720139716.db2.gz MHFNPWLQBDHFKI-QFIPXVFZSA-N 1 0 467.614 4.331 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164712240 720145072 /nfs/dbraw/zinc/14/50/72/720145072.db2.gz LQWWVRALCGPAQE-HSZRJFAPSA-N 1 0 498.071 4.264 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164712159 720145711 /nfs/dbraw/zinc/14/57/11/720145711.db2.gz KPEKVOVEXURHOW-JOCHJYFZSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164713048 720146634 /nfs/dbraw/zinc/14/66/34/720146634.db2.gz PNEQNHKOEFKWOA-LJQANCHMSA-N 1 0 453.537 4.470 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164710545 720148865 /nfs/dbraw/zinc/14/88/65/720148865.db2.gz CEYAVDQUXVGEAK-XMMPIXPASA-N 1 0 473.621 4.445 20 0 JIADRO Cc1ccc(-c2nnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c3ccccc32)cc1 ZINC001164812869 720235151 /nfs/dbraw/zinc/23/51/51/720235151.db2.gz JLMUSGHXBFKYQH-UHFFFAOYSA-N 1 0 468.605 4.412 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828459 720327945 /nfs/dbraw/zinc/32/79/45/720327945.db2.gz JPZSCBIPSDKPCY-RBUKOAKNSA-N 1 0 477.436 4.462 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001164824238 720345577 /nfs/dbraw/zinc/34/55/77/720345577.db2.gz HRSQCCMDIYMUHK-FTJBHMTQSA-N 1 0 455.606 4.208 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831263 720345628 /nfs/dbraw/zinc/34/56/28/720345628.db2.gz YQYWPEQQSHXLQS-CLJLJLNGSA-N 1 0 485.632 4.217 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001164822262 720347578 /nfs/dbraw/zinc/34/75/78/720347578.db2.gz CXVWITAODUELJN-WOJBJXKFSA-N 1 0 486.085 4.259 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164822717 720348040 /nfs/dbraw/zinc/34/80/40/720348040.db2.gz DUCUPZAKVHFSRN-FGZHOGPDSA-N 1 0 489.998 4.253 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725719 720496962 /nfs/dbraw/zinc/49/69/62/720496962.db2.gz JWQVEDKHJVZWKQ-RMXYQJDTSA-N 1 0 468.617 4.492 20 0 JIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164730751 720519939 /nfs/dbraw/zinc/51/99/39/720519939.db2.gz SPABBOSGUUEWIR-MRXNPFEDSA-N 1 0 471.964 4.112 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1Cl ZINC001164841319 720522063 /nfs/dbraw/zinc/52/20/63/720522063.db2.gz YHHRERDSIAWJJX-SOLBZPMBSA-N 1 0 466.413 4.139 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164834638 720524215 /nfs/dbraw/zinc/52/42/15/720524215.db2.gz GVTOZZIWEKMUHG-HWBMXIPRSA-N 1 0 492.071 4.220 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842025 720531957 /nfs/dbraw/zinc/53/19/57/720531957.db2.gz WEHZURIXKKLNAS-FDFHNCONSA-N 1 0 451.018 4.295 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736981 720588423 /nfs/dbraw/zinc/58/84/23/720588423.db2.gz XHTZHJOTPQJUIJ-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835588 720592254 /nfs/dbraw/zinc/59/22/54/720592254.db2.gz BNJLTKFZCBTOKL-NNMXDRDESA-N 1 0 483.016 4.034 20 0 JIADRO Clc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164746380 720593804 /nfs/dbraw/zinc/59/38/04/720593804.db2.gz YCNVJPRRNUQMFG-UHFFFAOYSA-N 1 0 459.381 4.431 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841316 720599187 /nfs/dbraw/zinc/59/91/87/720599187.db2.gz RVEFYQVHVLBKIL-HSALFYBXSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838719 720609294 /nfs/dbraw/zinc/60/92/94/720609294.db2.gz KZXHXFRLAOJNNE-ABSDTBQOSA-N 1 0 450.965 4.127 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838312 720631867 /nfs/dbraw/zinc/63/18/67/720631867.db2.gz KSIXHYILCADDMI-RZUBCFFCSA-N 1 0 459.623 4.328 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]21 ZINC001164838314 720632446 /nfs/dbraw/zinc/63/24/46/720632446.db2.gz KSIXHYILCADDMI-URVUXULASA-N 1 0 459.623 4.328 20 0 JIADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2C)cc1 ZINC001164836212 720635594 /nfs/dbraw/zinc/63/55/94/720635594.db2.gz FHWDEOIHJVDPLP-ONBPZOJHSA-N 1 0 474.653 4.267 20 0 JIADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738568 720656089 /nfs/dbraw/zinc/65/60/89/720656089.db2.gz KMUQQKXLBGSEKB-WOJBJXKFSA-N 1 0 457.912 4.079 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840984 720710147 /nfs/dbraw/zinc/71/01/47/720710147.db2.gz UBSWWJKMYLSPTF-LOSJGSFVSA-N 1 0 463.622 4.398 20 0 JIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841028 720711689 /nfs/dbraw/zinc/71/16/89/720711689.db2.gz UJJBWRQWEFXKNP-RDGATRHJSA-N 1 0 462.638 4.214 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840322 720724034 /nfs/dbraw/zinc/72/40/34/720724034.db2.gz PDYGGZYOYRXQEO-RUZDIDTESA-N 1 0 487.648 4.382 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)nc(Cl)c2c1 ZINC001164844299 720740536 /nfs/dbraw/zinc/74/05/36/720740536.db2.gz OXMXUOBSKNWZRN-UHFFFAOYSA-N 1 0 462.932 4.086 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)nc12 ZINC001164844414 720741229 /nfs/dbraw/zinc/74/12/29/720741229.db2.gz RZRBAUQNGOGJEY-UHFFFAOYSA-N 1 0 499.928 4.325 20 0 JIADRO FC(F)(c1cc(Cl)ncc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842419 720741375 /nfs/dbraw/zinc/74/13/75/720741375.db2.gz DORKEWHYBVHIDJ-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164849575 720781556 /nfs/dbraw/zinc/78/15/56/720781556.db2.gz UGXYTLMNWVMCQQ-MZYLBHOOSA-N 1 0 490.982 4.395 20 0 JIADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164745430 720789343 /nfs/dbraw/zinc/78/93/43/720789343.db2.gz KJNSLFBACIICJV-DQEYMECFSA-N 1 0 464.573 4.251 20 0 JIADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164744242 720794407 /nfs/dbraw/zinc/79/44/07/720794407.db2.gz IFNUWPYYUZCMPH-QPPBQGQZSA-N 1 0 466.545 4.068 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743561 720842440 /nfs/dbraw/zinc/84/24/40/720842440.db2.gz JEPXBKQQVMCLGG-OTNCWRBYSA-N 1 0 479.028 4.285 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164854230 720844938 /nfs/dbraw/zinc/84/49/38/720844938.db2.gz QFAGXYBBIUSWIW-SBUREZEXSA-N 1 0 470.976 4.263 20 0 JIADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164749321 720845808 /nfs/dbraw/zinc/84/58/08/720845808.db2.gz VPUKJXHRITWMSQ-XKCSPQBFSA-N 1 0 489.624 4.468 20 0 JIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740571 720846718 /nfs/dbraw/zinc/84/67/18/720846718.db2.gz CVEDZCUVUYRQLG-NNMXDRDESA-N 1 0 495.027 4.036 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748036 720847415 /nfs/dbraw/zinc/84/74/15/720847415.db2.gz SHMJLKAFHIBDQI-KKUQBAQOSA-N 1 0 496.663 4.067 20 0 JIADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745260 720847652 /nfs/dbraw/zinc/84/76/52/720847652.db2.gz NBZMFKSTKZZRPB-VIICAESSSA-N 1 0 483.595 4.407 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748135 720854062 /nfs/dbraw/zinc/85/40/62/720854062.db2.gz KKLITVKSESZKEQ-KJXAQDMKSA-N 1 0 499.997 4.313 20 0 JIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164743875 720858272 /nfs/dbraw/zinc/85/82/72/720858272.db2.gz AQORTAVCENJVJE-SLYNCCJLSA-N 1 0 483.979 4.032 20 0 JIADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755784 720870129 /nfs/dbraw/zinc/87/01/29/720870129.db2.gz YXHYLCFHQNUGED-REWPJTCUSA-N 1 0 462.972 4.430 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC[C@H]2C1 ZINC001164853810 720874173 /nfs/dbraw/zinc/87/41/73/720874173.db2.gz CWXUSUKUJQGIJY-FXAWDEMLSA-N 1 0 459.015 4.185 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC[C@H]2C1 ZINC001164853812 720874214 /nfs/dbraw/zinc/87/42/14/720874214.db2.gz CWXUSUKUJQGIJY-PXNSSMCTSA-N 1 0 459.015 4.185 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC[C@@H]2C1 ZINC001164853816 720874594 /nfs/dbraw/zinc/87/45/94/720874594.db2.gz CWXUSUKUJQGIJY-YLJYHZDGSA-N 1 0 459.015 4.185 20 0 JIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752383 720874835 /nfs/dbraw/zinc/87/48/35/720874835.db2.gz MSIULSNFHFYHDO-PGRDOPGGSA-N 1 0 498.405 4.478 20 0 JIADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164748514 720875679 /nfs/dbraw/zinc/87/56/79/720875679.db2.gz FRCMKSMEILXVLQ-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753414 720878403 /nfs/dbraw/zinc/87/84/03/720878403.db2.gz PJRJDLSWVXRTAX-CJFMBICVSA-N 1 0 452.002 4.366 20 0 JIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753850 720879588 /nfs/dbraw/zinc/87/95/88/720879588.db2.gz QEHNDYWLSXYMMN-AVRDEDQJSA-N 1 0 498.405 4.478 20 0 JIADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164754089 720879902 /nfs/dbraw/zinc/87/99/02/720879902.db2.gz QZWGMWOSDOHEEZ-YADARESESA-N 1 0 470.042 4.495 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@@H]2C1 ZINC001164853376 720883946 /nfs/dbraw/zinc/88/39/46/720883946.db2.gz CFOMGELGJWALQT-UTKZUKDTSA-N 1 0 469.935 4.260 20 0 JIADRO 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CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894585 721396427 /nfs/dbraw/zinc/39/64/27/721396427.db2.gz ZEPQCJJEGMNQRT-HOYKHHGWSA-N 1 0 469.680 4.185 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164889819 721422077 /nfs/dbraw/zinc/42/20/77/721422077.db2.gz RNJPMEYIGIHADI-RDPSFJRHSA-N 1 0 492.014 4.107 20 0 JIADRO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1 ZINC001164894264 721432615 /nfs/dbraw/zinc/43/26/15/721432615.db2.gz LHBKLHHQSSBNGE-GIGWZHCTSA-N 1 0 471.649 4.371 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897612 721436608 /nfs/dbraw/zinc/43/66/08/721436608.db2.gz UIUYLUHWAKRTLL-RDPSFJRHSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893800 721442957 /nfs/dbraw/zinc/44/29/57/721442957.db2.gz KMESDQMRYXDBMX-QDPGVEIFSA-N 1 0 496.099 4.441 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885413 721448688 /nfs/dbraw/zinc/44/86/88/721448688.db2.gz DPJLJNHLKOLPQN-UUOWRZLLSA-N 1 0 492.451 4.341 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889679 721450251 /nfs/dbraw/zinc/45/02/51/721450251.db2.gz PEBBKQORWPRPAL-QFQXNSOFSA-N 1 0 486.060 4.250 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164786011 721454923 /nfs/dbraw/zinc/45/49/23/721454923.db2.gz LZKPVUYNDBNNTF-INIZCTEOSA-N 1 0 479.399 4.062 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164788618 721461492 /nfs/dbraw/zinc/46/14/92/721461492.db2.gz UTHGNKZXRCUPNM-QHCPKHFHSA-N 1 0 477.093 4.065 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164784786 721463583 /nfs/dbraw/zinc/46/35/83/721463583.db2.gz KFSUAIYOKICLAV-JOCHJYFZSA-N 1 0 470.589 4.142 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164782472 721464363 /nfs/dbraw/zinc/46/43/63/721464363.db2.gz APMRNVGONULPAM-QFIPXVFZSA-N 1 0 483.657 4.163 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164791804 721465218 /nfs/dbraw/zinc/46/52/18/721465218.db2.gz ZMKYBYJXFZPDSC-QGZVFWFLSA-N 1 0 480.440 4.066 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164790604 721466775 /nfs/dbraw/zinc/46/67/75/721466775.db2.gz SATORXJVHBAXTN-RUZDIDTESA-N 1 0 465.638 4.395 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164791704 721468188 /nfs/dbraw/zinc/46/81/88/721468188.db2.gz XTXVYZIVHHQSCW-HSZRJFAPSA-N 1 0 491.636 4.327 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cnc1Cl ZINC001164791968 721493548 /nfs/dbraw/zinc/49/35/48/721493548.db2.gz HNAFMCKHJWIYLG-UHFFFAOYSA-N 1 0 464.944 4.343 20 0 JIADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907743 721538391 /nfs/dbraw/zinc/53/83/91/721538391.db2.gz OGUWFGPJWMBRLE-GGAORHGYSA-N 1 0 461.516 4.100 20 0 JIADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164912458 721550337 /nfs/dbraw/zinc/55/03/37/721550337.db2.gz ZWJODDUNINSHQR-LADGPHEKSA-N 1 0 456.521 4.206 20 0 JIADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164904660 721563521 /nfs/dbraw/zinc/56/35/21/721563521.db2.gz FCOQSOIGHOUMKM-CVDCTZTESA-N 1 0 450.514 4.067 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164906094 721583872 /nfs/dbraw/zinc/58/38/72/721583872.db2.gz YYGWPKGGHDBTTP-HSZRJFAPSA-N 1 0 487.576 4.309 20 0 JIADRO O=C(NC1CCCCC1)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904279 721586448 /nfs/dbraw/zinc/58/64/48/721586448.db2.gz FDFMAGABOABUMA-RUZDIDTESA-N 1 0 469.580 4.277 20 0 JIADRO FC1(F)CCN(c2nc(Cl)nc3c2CSCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903619 721586863 /nfs/dbraw/zinc/58/68/63/721586863.db2.gz AWANPFPGBLYLKT-FQEVSTJZSA-N 1 0 451.974 4.052 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@H]3CC2)nc1 ZINC001164808834 721592820 /nfs/dbraw/zinc/59/28/20/721592820.db2.gz QVIUNCFPUBWLOW-ARMFNRFLSA-N 1 0 498.693 4.068 20 0 JIADRO O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164801242 721605700 /nfs/dbraw/zinc/60/57/00/721605700.db2.gz OTVIYCKCUOFHKH-DEOSSOPVSA-N 1 0 453.974 4.085 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165008047 721692244 /nfs/dbraw/zinc/69/22/44/721692244.db2.gz IBYCKMAGOCLFCX-ZIFWVBPMSA-N 1 0 463.626 4.426 20 0 JIADRO FC1(F)CCN(c2nccnc2C2SCCCS2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907941 721697157 /nfs/dbraw/zinc/69/71/57/721697157.db2.gz WYTMQPBBHRJTNA-OAQYLSRUSA-N 1 0 463.623 4.478 20 0 JIADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904962 721712559 /nfs/dbraw/zinc/71/25/59/721712559.db2.gz FWNMLEBGMBBYMJ-VWLOTQADSA-N 1 0 493.537 4.146 20 0 JIADRO COC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906183 721714545 /nfs/dbraw/zinc/71/45/45/721714545.db2.gz KQBZKYIOZQAKRZ-XMMPIXPASA-N 1 0 452.505 4.154 20 0 JIADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913427 721725570 /nfs/dbraw/zinc/72/55/70/721725570.db2.gz VRGJJJAJEJHRKH-FQEVSTJZSA-N 1 0 469.914 4.296 20 0 JIADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913372 721729361 /nfs/dbraw/zinc/72/93/61/721729361.db2.gz URMUFTDRYIXSJL-LJQANCHMSA-N 1 0 468.886 4.289 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC001165011954 721737284 /nfs/dbraw/zinc/73/72/84/721737284.db2.gz ZBQYAIACQVKKFC-UHFFFAOYSA-N 1 0 491.039 4.382 20 0 JIADRO C[N@H+](Cc1ccc(N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912117 721742553 /nfs/dbraw/zinc/74/25/53/721742553.db2.gz LUDRHGTTWNFEFE-LSYYVWMOSA-N 1 0 453.590 4.098 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001165012729 721748692 /nfs/dbraw/zinc/74/86/92/721748692.db2.gz MTYXGZMEWXYBHV-UHFFFAOYSA-N 1 0 466.388 4.113 20 0 JIADRO Clc1ncc2c(c1N1C[C@H](OCC3CC3)[C@H]3COC[C@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165015195 721762762 /nfs/dbraw/zinc/76/27/62/721762762.db2.gz NPGZJIWATCOLCU-CAOCKLPOSA-N 1 0 496.051 4.387 20 0 JIADRO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165026681 721807949 /nfs/dbraw/zinc/80/79/49/721807949.db2.gz RZCLBDYLXYBFTJ-LRQRDZAKSA-N 1 0 468.001 4.432 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020801 721812642 /nfs/dbraw/zinc/81/26/42/721812642.db2.gz DCJSKYHBONVAMM-XJABCFGWSA-N 1 0 465.985 4.202 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027800 721815501 /nfs/dbraw/zinc/81/55/01/721815501.db2.gz VYBNQVFJEYQZKO-VLCRHTCISA-N 1 0 456.034 4.349 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019748 721815894 /nfs/dbraw/zinc/81/58/94/721815894.db2.gz BPLJCLNFQBMHRG-SNRMKQJTSA-N 1 0 464.944 4.198 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCC[C@H]([N@H+](C)Cc6ccccn6)[C@H]5C4)ccc-3c2=O)cc1 ZINC001165025780 721822153 /nfs/dbraw/zinc/82/21/53/721822153.db2.gz NYYULBBSWZLJRN-MCOVPRHSSA-N 1 0 497.643 4.378 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C[C@H]21 ZINC001165030503 721824377 /nfs/dbraw/zinc/82/43/77/721824377.db2.gz ZLRHELIIXHGITJ-KIFXHHALSA-N 1 0 457.578 4.047 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@@H]21 ZINC001165029549 721828410 /nfs/dbraw/zinc/82/84/10/721828410.db2.gz XDDLBCPHJVNABT-RXWNPYQGSA-N 1 0 484.648 4.112 20 0 JIADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165026749 721832224 /nfs/dbraw/zinc/83/22/24/721832224.db2.gz PZAXOZNFQFCDEN-PWIZWCRZSA-N 1 0 499.027 4.205 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(-c3ccc(N(C)C)cc3)n2)CC1 ZINC001165022712 721843115 /nfs/dbraw/zinc/84/31/15/721843115.db2.gz SMFCJNQRAICSBA-UHFFFAOYSA-N 1 0 461.610 4.328 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001165031063 721844986 /nfs/dbraw/zinc/84/49/86/721844986.db2.gz PTJINCNNWLZQEA-UHFFFAOYSA-N 1 0 453.974 4.310 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922814 721846556 /nfs/dbraw/zinc/84/65/56/721846556.db2.gz RJWRMJROHYJGOE-BVAGGSTKSA-N 1 0 468.621 4.071 20 0 JIADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC001165032340 721859977 /nfs/dbraw/zinc/85/99/77/721859977.db2.gz RCPXDQRSUKPNBD-UHFFFAOYSA-N 1 0 471.671 4.227 20 0 JIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165037180 721899939 /nfs/dbraw/zinc/89/99/39/721899939.db2.gz KUCABRYEPSPFBR-GOTSBHOMSA-N 1 0 464.654 4.340 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164938678 721927146 /nfs/dbraw/zinc/92/71/46/721927146.db2.gz DMRXXUBEBCRCLK-UHFFFAOYSA-N 1 0 479.955 4.246 20 0 JIADRO COC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c2ccccc2c1OC ZINC001164940712 721932701 /nfs/dbraw/zinc/93/27/01/721932701.db2.gz YEKMWTIUEJOBNF-UHFFFAOYSA-N 1 0 475.589 4.210 20 0 JIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952174 722016348 /nfs/dbraw/zinc/01/63/48/722016348.db2.gz INZKBXXGSRNIKZ-UHFFFAOYSA-N 1 0 491.970 4.129 20 0 JIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164960621 722025126 /nfs/dbraw/zinc/02/51/26/722025126.db2.gz LMZSFAASHOLJNR-UHFFFAOYSA-N 1 0 464.973 4.258 20 0 JIADRO Cc1cccc(Sc2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963288 722058546 /nfs/dbraw/zinc/05/85/46/722058546.db2.gz VPTLROFQBGFMTM-UHFFFAOYSA-N 1 0 461.635 4.450 20 0 JIADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959958 722059490 /nfs/dbraw/zinc/05/94/90/722059490.db2.gz ALEXOVXRPHBBJY-UHFFFAOYSA-N 1 0 466.589 4.206 20 0 JIADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960044 722059934 /nfs/dbraw/zinc/05/99/34/722059934.db2.gz FQLJEWUCMRWLGE-UHFFFAOYSA-N 1 0 489.954 4.449 20 0 JIADRO Clc1nnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1N1CCCCC1 ZINC001164964396 722062369 /nfs/dbraw/zinc/06/23/69/722062369.db2.gz GEIBOCWVSDLBFZ-UHFFFAOYSA-N 1 0 491.467 4.288 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979627 722148191 /nfs/dbraw/zinc/14/81/91/722148191.db2.gz LPTAFFMXRVKMFS-NFBKMPQASA-N 1 0 485.966 4.464 20 0 JIADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164975165 722150964 /nfs/dbraw/zinc/15/09/64/722150964.db2.gz DZRQMWLRTCKPBI-NAKRPHOHSA-N 1 0 484.648 4.256 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973814 722152846 /nfs/dbraw/zinc/15/28/46/722152846.db2.gz MGIGTCHWXTXMRX-NVXWUHKLSA-N 1 0 476.877 4.421 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 ZINC001164986770 722186313 /nfs/dbraw/zinc/18/63/13/722186313.db2.gz GLRBIJDHBPHOEJ-WXFUMESZSA-N 1 0 455.672 4.263 20 0 JIADRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164999430 722221718 /nfs/dbraw/zinc/22/17/18/722221718.db2.gz QUEFIDJQOSEAIH-SANMLTNESA-N 1 0 460.622 4.136 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CCC2 ZINC001165003387 722257311 /nfs/dbraw/zinc/25/73/11/722257311.db2.gz BKTIPVAGENGTQZ-UHFFFAOYSA-N 1 0 476.959 4.027 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300643324 1069312680 /nfs/dbraw/zinc/31/26/80/1069312680.db2.gz YLNMQXRUZJGPGV-PMACEKPBSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300643343 1069313518 /nfs/dbraw/zinc/31/35/18/1069313518.db2.gz YPXPKDRPECQRJW-ZJSXRUAMSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1-c1ccccn1 ZINC001354545667 1069320495 /nfs/dbraw/zinc/32/04/95/1069320495.db2.gz POEONWAPARBUAW-HXUWFJFHSA-N 1 0 457.500 4.102 20 0 JIADRO Cc1c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1-c1ccccn1 ZINC001354545665 1069320782 /nfs/dbraw/zinc/32/07/82/1069320782.db2.gz POEONWAPARBUAW-FQEVSTJZSA-N 1 0 457.500 4.102 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300646803 1069321866 /nfs/dbraw/zinc/32/18/66/1069321866.db2.gz KVGWJIOMOVSIBJ-ZBLYBZFDSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001300651471 1069335930 /nfs/dbraw/zinc/33/59/30/1069335930.db2.gz BGKNGILGVCQLQZ-GBXCKJPGSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300660096 1069367199 /nfs/dbraw/zinc/36/71/99/1069367199.db2.gz IVKBFOOKBUFCEG-ZCNNSNEGSA-N 1 0 461.676 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(Nc2ccn(C)n2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300660086 1069367256 /nfs/dbraw/zinc/36/72/56/1069367256.db2.gz HMHPVCSCGKAZJI-RTBURBONSA-N 1 0 467.618 4.099 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300661835 1069375383 /nfs/dbraw/zinc/37/53/83/1069375383.db2.gz YBGDSFYVUAXBAL-UXHICEINSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300662237 1069377381 /nfs/dbraw/zinc/37/73/81/1069377381.db2.gz ZCFLZHRPKLHTQK-UNMCSNQZSA-N 1 0 478.641 4.293 20 0 JIADRO O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC001354601692 1069383473 /nfs/dbraw/zinc/38/34/73/1069383473.db2.gz VRMYQMZFNTXOHH-UHFFFAOYSA-N 1 0 459.493 4.394 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@H]2CCSC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300668717 1069394723 /nfs/dbraw/zinc/39/47/23/1069394723.db2.gz LBRBJJXOWCDKNU-OALUTQOASA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCCC1 ZINC001300669040 1069396748 /nfs/dbraw/zinc/39/67/48/1069396748.db2.gz IARJLHTWLZSIOU-PXNSSMCTSA-N 1 0 499.603 4.221 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1cc(C)no1 ZINC001300675266 1069417595 /nfs/dbraw/zinc/41/75/95/1069417595.db2.gz FWSCVQHZAWADRI-UHFFFAOYSA-N 1 0 484.670 4.480 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359347314 1069419587 /nfs/dbraw/zinc/41/95/87/1069419587.db2.gz IURKWYUVPSQALO-KBDUWVRBSA-N 1 0 464.658 4.174 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001359347284 1069419622 /nfs/dbraw/zinc/41/96/22/1069419622.db2.gz IAXHDYOMMQYTHM-PITZYVMOSA-N 1 0 465.642 4.120 20 0 JIADRO Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)ccc2c[nH+]cn21 ZINC001354630104 1069427313 /nfs/dbraw/zinc/42/73/13/1069427313.db2.gz WOBFQEZWWMEZRJ-JOCHJYFZSA-N 1 0 453.951 4.219 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300677009 1069428697 /nfs/dbraw/zinc/42/86/97/1069428697.db2.gz REZORRUPXBXVQI-CJFMBICVSA-N 1 0 473.687 4.172 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359350955 1069431910 /nfs/dbraw/zinc/43/19/10/1069431910.db2.gz UBRSUCHZYILBIE-ZJSXRUAMSA-N 1 0 466.674 4.149 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2cc3c(c(Br)c2)OCO3)c2cccs2)CC1 ZINC001354632516 1069433335 /nfs/dbraw/zinc/43/33/35/1069433335.db2.gz HQNVLLBDFMYMAN-MRXNPFEDSA-N 1 0 451.386 4.442 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[NH+]1CCSCC1 ZINC001300677904 1069434020 /nfs/dbraw/zinc/43/40/20/1069434020.db2.gz WPABKNSWBDWUIR-LJQANCHMSA-N 1 0 493.768 4.350 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001359352480 1069435659 /nfs/dbraw/zinc/43/56/59/1069435659.db2.gz ZXDZWUTZTGAXLD-UHFFFAOYSA-N 1 0 473.065 4.310 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]2CSC)n1CC1([NH+](C)C)CCC1 ZINC001300680080 1069443005 /nfs/dbraw/zinc/44/30/05/1069443005.db2.gz UDZFKBUDQATBJZ-GOSISDBHSA-N 1 0 461.701 4.395 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359361638 1069452447 /nfs/dbraw/zinc/45/24/47/1069452447.db2.gz HSSZOXYVVDDJNR-QHCPKHFHSA-N 1 0 494.709 4.124 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359361778 1069452755 /nfs/dbraw/zinc/45/27/55/1069452755.db2.gz KOVDJZSKCAGMHT-IMSXRSKXSA-N 1 0 472.722 4.072 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359363257 1069455669 /nfs/dbraw/zinc/45/56/69/1069455669.db2.gz NZKBANQKKAMKHX-DEOSSOPVSA-N 1 0 496.700 4.043 20 0 JIADRO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001359365783 1069461720 /nfs/dbraw/zinc/46/17/20/1069461720.db2.gz MCCYVWGXSITAEP-JOCHJYFZSA-N 1 0 472.722 4.216 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359375303 1069481354 /nfs/dbraw/zinc/48/13/54/1069481354.db2.gz INOVOGGAYAWPQG-UHFFFAOYSA-N 1 0 473.065 4.312 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001359374073 1069478651 /nfs/dbraw/zinc/47/86/51/1069478651.db2.gz RRYSIDWLLGGONX-XMMPIXPASA-N 1 0 496.700 4.216 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359374459 1069479322 /nfs/dbraw/zinc/47/93/22/1069479322.db2.gz CZODNIMTOYSXFR-NHCUHLMSSA-N 1 0 487.092 4.415 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@H]2C)CC1 ZINC001359380510 1069485574 /nfs/dbraw/zinc/48/55/74/1069485574.db2.gz NGBHRWQQWBDOIC-RCZVLFRGSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC12CCCCC2 ZINC001359381822 1069486208 /nfs/dbraw/zinc/48/62/08/1069486208.db2.gz SCGDLUYHDTWMDF-UHFFFAOYSA-N 1 0 458.695 4.069 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC001359385125 1069491475 /nfs/dbraw/zinc/49/14/75/1069491475.db2.gz RLXJZAYWHLSYCJ-NJDAHSKKSA-N 1 0 487.092 4.414 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001359385948 1069493414 /nfs/dbraw/zinc/49/34/14/1069493414.db2.gz PPAIIOGYECBPTB-QZTJIDSGSA-N 1 0 491.055 4.305 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC001359387047 1069496323 /nfs/dbraw/zinc/49/63/23/1069496323.db2.gz UXNFJJHLGDJUCO-JOCHJYFZSA-N 1 0 466.674 4.069 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+](C)C(C)C)CC12CCCCC2 ZINC001359394671 1069499083 /nfs/dbraw/zinc/49/90/83/1069499083.db2.gz BBBQYFMOEXSESO-UHFFFAOYSA-N 1 0 480.701 4.165 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001359397597 1069503880 /nfs/dbraw/zinc/50/38/80/1069503880.db2.gz FRUWOJZLCXPHJV-VWNXMTODSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001359398338 1069504997 /nfs/dbraw/zinc/50/49/97/1069504997.db2.gz VSFJOBOEYUSCPL-JOCHJYFZSA-N 1 0 484.714 4.202 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359412429 1069531776 /nfs/dbraw/zinc/53/17/76/1069531776.db2.gz WPFYVOWWCFJODH-ZKMFCFPVSA-N 1 0 466.674 4.257 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359414065 1069536716 /nfs/dbraw/zinc/53/67/16/1069536716.db2.gz WRLVAHLMQGCYCK-KXTRFFEISA-N 1 0 489.108 4.382 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359416173 1069540802 /nfs/dbraw/zinc/54/08/02/1069540802.db2.gz ZTJMWPAINUUKJF-GPXOXTDOSA-N 1 0 496.700 4.260 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359416175 1069541280 /nfs/dbraw/zinc/54/12/80/1069541280.db2.gz ZTJMWPAINUUKJF-QLBJFCOMSA-N 1 0 496.700 4.260 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001359416495 1069541819 /nfs/dbraw/zinc/54/18/19/1069541819.db2.gz GMHWIIMWAQAIBC-STZQEDGTSA-N 1 0 491.080 4.153 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359427400 1069553544 /nfs/dbraw/zinc/55/35/44/1069553544.db2.gz UGMWBWVUTAYQSQ-UHFFFAOYSA-N 1 0 452.647 4.013 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001359433674 1069561651 /nfs/dbraw/zinc/56/16/51/1069561651.db2.gz NGYCQTOCVOGGLV-KDYSTLNUSA-N 1 0 498.741 4.032 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359438086 1069566973 /nfs/dbraw/zinc/56/69/73/1069566973.db2.gz SUBFQAJPJCQJEO-RDGATRHJSA-N 1 0 480.701 4.042 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359444392 1069576447 /nfs/dbraw/zinc/57/64/47/1069576447.db2.gz HSKWVZBOJNLKMP-JOCHJYFZSA-N 1 0 496.700 4.126 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+](C)C ZINC001359463324 1069585938 /nfs/dbraw/zinc/58/59/38/1069585938.db2.gz HLDVZDRTTOEKNP-OAHLLOKOSA-N 1 0 493.052 4.200 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359463411 1069586381 /nfs/dbraw/zinc/58/63/81/1069586381.db2.gz KRWSTXRDVDFILN-NRFANRHFSA-N 1 0 488.727 4.453 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359464673 1069593007 /nfs/dbraw/zinc/59/30/07/1069593007.db2.gz BGCWCSXDDBGTKN-DFBJGRDBSA-N 1 0 472.703 4.260 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359464977 1069594891 /nfs/dbraw/zinc/59/48/91/1069594891.db2.gz MHEPDSPJLAVXNJ-HXUWFJFHSA-N 1 0 472.703 4.260 20 0 JIADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+](C)C1CCCCC1 ZINC001359481330 1069654548 /nfs/dbraw/zinc/65/45/48/1069654548.db2.gz JJLSPBWZLMMEBZ-PMACEKPBSA-N 1 0 498.697 4.016 20 0 JIADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359486159 1069664410 /nfs/dbraw/zinc/66/44/10/1069664410.db2.gz VUEGYZJCJMCIFG-NHCUHLMSSA-N 1 0 489.730 4.037 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359502973 1069767424 /nfs/dbraw/zinc/76/74/24/1069767424.db2.gz CCYABVIFSBZQLK-OAQYLSRUSA-N 1 0 494.675 4.220 20 0 JIADRO CC(C)(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359503221 1069769763 /nfs/dbraw/zinc/76/97/63/1069769763.db2.gz LJIIMSFTUYPHBC-DEOSSOPVSA-N 1 0 479.591 4.164 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001359505633 1069776783 /nfs/dbraw/zinc/77/67/83/1069776783.db2.gz KHBMKIIVDZUQEO-QGZVFWFLSA-N 1 0 451.537 4.429 20 0 JIADRO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359512378 1069794260 /nfs/dbraw/zinc/79/42/60/1069794260.db2.gz ZSLCLHNOUSOADF-UHFFFAOYSA-N 1 0 484.664 4.333 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359512372 1069794297 /nfs/dbraw/zinc/79/42/97/1069794297.db2.gz ZIQMLMMQHLGARU-UHFFFAOYSA-N 1 0 479.572 4.265 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001359520094 1069807672 /nfs/dbraw/zinc/80/76/72/1069807672.db2.gz ZBFFJAWBVXQJAE-VQTJNVASSA-N 1 0 461.054 4.103 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCOC(F)F)C1 ZINC001359520535 1069807924 /nfs/dbraw/zinc/80/79/24/1069807924.db2.gz HVDZTJTTZXSSRK-OAQYLSRUSA-N 1 0 490.643 4.145 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCCCC2)CCO1 ZINC001359524475 1069813087 /nfs/dbraw/zinc/81/30/87/1069813087.db2.gz HPLSZAVUHPDIRJ-QFIPXVFZSA-N 1 0 459.610 4.124 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359530400 1069821272 /nfs/dbraw/zinc/82/12/72/1069821272.db2.gz BFEAHAZPGYZORI-IBGZPJMESA-N 1 0 470.628 4.206 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359530401 1069821361 /nfs/dbraw/zinc/82/13/61/1069821361.db2.gz BFEAHAZPGYZORI-LJQANCHMSA-N 1 0 470.628 4.206 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001359531757 1069824390 /nfs/dbraw/zinc/82/43/90/1069824390.db2.gz XAJWBVQVAOJQBG-UHFFFAOYSA-N 1 0 457.688 4.101 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359537568 1069832727 /nfs/dbraw/zinc/83/27/27/1069832727.db2.gz DYTOWDRZZQVIBR-NRFANRHFSA-N 1 0 484.689 4.382 20 0 JIADRO 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COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1O ZINC001315481252 1064342048 /nfs/dbraw/zinc/34/20/48/1064342048.db2.gz ZOMAARHZSVOYNI-PMACEKPBSA-N 1 0 485.673 4.249 20 0 JIADRO COc1ccc(CN(c2nnc(CC(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC001315481294 1064342184 /nfs/dbraw/zinc/34/21/84/1064342184.db2.gz BAJMFPNPFXYMRC-VWLOTQADSA-N 1 0 457.688 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001315481115 1064342246 /nfs/dbraw/zinc/34/22/46/1064342246.db2.gz XSVJHLYOVQRZFQ-QFIPXVFZSA-N 1 0 462.642 4.338 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC001315506417 1064423567 /nfs/dbraw/zinc/42/35/67/1064423567.db2.gz DQZGNNLHVZOZHL-QFIPXVFZSA-N 1 0 496.700 4.088 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)cc1Cl ZINC001315506965 1064425948 /nfs/dbraw/zinc/42/59/48/1064425948.db2.gz QOAUHSWUMSTBNH-DENIHFKCSA-N 1 0 476.065 4.437 20 0 JIADRO COc1ccc(COCCCn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001315509081 1064434270 /nfs/dbraw/zinc/43/42/70/1064434270.db2.gz SAMNXBBCNNVSIG-DEOSSOPVSA-N 1 0 485.673 4.446 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001315518999 1064475478 /nfs/dbraw/zinc/47/54/78/1064475478.db2.gz GDRAQLMKOUZLNW-XPWALMASSA-N 1 0 499.700 4.278 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001315524482 1064497726 /nfs/dbraw/zinc/49/77/26/1064497726.db2.gz VCTYLDPXQPVAKN-CPJSRVTESA-N 1 0 471.671 4.096 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001315529199 1064510484 /nfs/dbraw/zinc/51/04/84/1064510484.db2.gz IOAJKEPFVBVOHD-KNQAVFIVSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[C@@H]2CCCCO2)cc1 ZINC001315530147 1064512875 /nfs/dbraw/zinc/51/28/75/1064512875.db2.gz BFZPCUAFQVXUCX-QHCPKHFHSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001315531503 1064516747 /nfs/dbraw/zinc/51/67/47/1064516747.db2.gz HHHBLVSEJZEFAN-CJFMBICVSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)Cc2cccs2)cc1 ZINC001315535209 1064525406 /nfs/dbraw/zinc/52/54/06/1064525406.db2.gz SXLKXBZTOIZEAL-FQEVSTJZSA-N 1 0 469.655 4.336 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001315536027 1064527561 /nfs/dbraw/zinc/52/75/61/1064527561.db2.gz URDMBDKSFPADRP-KDYSTLNUSA-N 1 0 487.689 4.483 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001315536805 1064529260 /nfs/dbraw/zinc/52/92/60/1064529260.db2.gz SPWIALYHEOEDOM-FGTMMUONSA-N 1 0 463.573 4.076 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315537033 1064529630 /nfs/dbraw/zinc/52/96/30/1064529630.db2.gz ZWDBVVWIZAYYLQ-VQTJNVASSA-N 1 0 473.687 4.460 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315539335 1064534098 /nfs/dbraw/zinc/53/40/98/1064534098.db2.gz SULOHSHMPXXREJ-OYRHEFFESA-N 1 0 493.656 4.015 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001315541607 1064539614 /nfs/dbraw/zinc/53/96/14/1064539614.db2.gz FPHZNRSJHWIDLG-JOCHJYFZSA-N 1 0 469.674 4.325 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@@H]3[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001315544121 1064545196 /nfs/dbraw/zinc/54/51/96/1064545196.db2.gz AJZLAVDFGWGLRT-MZLICYQSSA-N 1 0 498.672 4.124 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CC[C@@H](CC(C)C)C2)[NH+](C)C)c1 ZINC001315545652 1064550727 /nfs/dbraw/zinc/55/07/27/1064550727.db2.gz BRDOVFPJMZUWDT-GBXCKJPGSA-N 1 0 450.631 4.468 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)SC)CC2)c1 ZINC001315545375 1064551024 /nfs/dbraw/zinc/55/10/24/1064551024.db2.gz NQGWDHIVWXDUBZ-LJQANCHMSA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315545841 1064551775 /nfs/dbraw/zinc/55/17/75/1064551775.db2.gz DEJZOZKQSZYNFN-NRFANRHFSA-N 1 0 456.541 4.277 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CC[C@@H](CC(C)C)C2)[NH+](C)C)c1 ZINC001315545656 1064552001 /nfs/dbraw/zinc/55/20/01/1064552001.db2.gz BRDOVFPJMZUWDT-RDPSFJRHSA-N 1 0 450.631 4.468 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([C@@H]3CCOC3)C2)[NH+](C)C)c1 ZINC001315546239 1064553014 /nfs/dbraw/zinc/55/30/14/1064553014.db2.gz GNGQTQWENGWNLW-XJUOHMSHSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@H](C)c2nccs2)[NH+](C)C)c1 ZINC001315546146 1064553335 /nfs/dbraw/zinc/55/33/35/1064553335.db2.gz GAFAHRWRSQOWLP-UWJYYQICSA-N 1 0 465.627 4.281 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CCCC[C@H](SC)C2)[NH+](C)C)c1 ZINC001315547529 1064556841 /nfs/dbraw/zinc/55/68/41/1064556841.db2.gz QRMLZRJBVSVUIA-JTHBVZDNSA-N 1 0 468.671 4.317 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2nccs2)[NH+](C)C)c1 ZINC001315548328 1064560450 /nfs/dbraw/zinc/56/04/50/1064560450.db2.gz ZMPJWDAIXPWEFI-OAQYLSRUSA-N 1 0 463.611 4.053 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@H](C)[C@H](OC)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548497 1064561130 /nfs/dbraw/zinc/56/11/30/1064561130.db2.gz KGJZOPCGOIIATO-AJSBUHFISA-N 1 0 455.647 4.283 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001315549719 1064565185 /nfs/dbraw/zinc/56/51/85/1064565185.db2.gz SQIWHFLGBJKXFI-GOSISDBHSA-N 1 0 452.603 4.459 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC[C@H](c4ccnn4C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315549935 1064566352 /nfs/dbraw/zinc/56/63/52/1064566352.db2.gz SYQSRCWUUYUBPI-REWPJTCUSA-N 1 0 465.646 4.005 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)CC(C)(C)C)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001315550567 1064567364 /nfs/dbraw/zinc/56/73/64/1064567364.db2.gz WZQYKLFNKKRFKZ-GJZUVCINSA-N 1 0 473.662 4.113 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315550609 1064567501 /nfs/dbraw/zinc/56/75/01/1064567501.db2.gz YALZBVUFYBDXSN-KNQAVFIVSA-N 1 0 453.587 4.101 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315552179 1064568934 /nfs/dbraw/zinc/56/89/34/1064568934.db2.gz OYVQCEKDMBBOPP-GOSISDBHSA-N 1 0 472.037 4.242 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315554976 1064573300 /nfs/dbraw/zinc/57/33/00/1064573300.db2.gz CLTRXQWPUQPVAR-OFNKIYASSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315555885 1064574740 /nfs/dbraw/zinc/57/47/40/1064574740.db2.gz MZWHLFCXFQRURT-DHIUTWEWSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315557862 1064578817 /nfs/dbraw/zinc/57/88/17/1064578817.db2.gz MXFKJEWFXFAKET-NHCUHLMSSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCOc2ncccc2F)c1 ZINC001315558610 1064581607 /nfs/dbraw/zinc/58/16/07/1064581607.db2.gz ZKOBVQXFUFDQCD-UHFFFAOYSA-N 1 0 482.604 4.123 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001315558848 1064582860 /nfs/dbraw/zinc/58/28/60/1064582860.db2.gz KDWDXYIZXMHGQI-NRFANRHFSA-N 1 0 498.672 4.322 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315559816 1064584706 /nfs/dbraw/zinc/58/47/06/1064584706.db2.gz XCBNRWJXTAWBPN-HXUWFJFHSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001315562418 1064588997 /nfs/dbraw/zinc/58/89/97/1064588997.db2.gz FYEWWPMVGORIMF-NHCUHLMSSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315562929 1064590117 /nfs/dbraw/zinc/59/01/17/1064590117.db2.gz JIFVMLMCNZQHKO-UYAOXDASSA-N 1 0 482.595 4.003 20 0 JIADRO COc1cccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315564221 1064593452 /nfs/dbraw/zinc/59/34/52/1064593452.db2.gz YLNXEGZFCSFQLU-JOCHJYFZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001315564641 1064595227 /nfs/dbraw/zinc/59/52/27/1064595227.db2.gz WTGFUISPWZVMHZ-GMAHTHKFSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315569585 1064608951 /nfs/dbraw/zinc/60/89/51/1064608951.db2.gz JCQURRAVQZOLSJ-IBGZPJMESA-N 1 0 481.563 4.278 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)c1 ZINC001315572032 1064618085 /nfs/dbraw/zinc/61/80/85/1064618085.db2.gz GXJVPCRUYRNUQH-QPPBQGQZSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)c1 ZINC001315572393 1064619817 /nfs/dbraw/zinc/61/98/17/1064619817.db2.gz TYYRWCFANWGXBG-QFIPXVFZSA-N 1 0 496.681 4.173 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315572949 1064622549 /nfs/dbraw/zinc/62/25/49/1064622549.db2.gz WPYKBRPCIJGVRW-ZJSXRUAMSA-N 1 0 482.673 4.279 20 0 JIADRO COc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315573886 1064626430 /nfs/dbraw/zinc/62/64/30/1064626430.db2.gz BCZKQQPUIXATIH-CCLHPLFOSA-N 1 0 491.640 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001315576438 1064632976 /nfs/dbraw/zinc/63/29/76/1064632976.db2.gz XIXPIODFRKQHOI-HOYKHHGWSA-N 1 0 495.590 4.215 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001315576738 1064634608 /nfs/dbraw/zinc/63/46/08/1064634608.db2.gz OTGGSKKHLNCFPY-MRXNPFEDSA-N 1 0 487.446 4.174 20 0 JIADRO COc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315576997 1064635656 /nfs/dbraw/zinc/63/56/56/1064635656.db2.gz DEWBFIVPEPLTNN-NRFANRHFSA-N 1 0 496.681 4.035 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001315588077 1064670144 /nfs/dbraw/zinc/67/01/44/1064670144.db2.gz XQYMICGFQMXSFU-NRFANRHFSA-N 1 0 478.641 4.051 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N(C)CC2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315590218 1064676493 /nfs/dbraw/zinc/67/64/93/1064676493.db2.gz BLKVUNHXPFWKPG-JOCHJYFZSA-N 1 0 455.647 4.284 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315590440 1064677454 /nfs/dbraw/zinc/67/74/54/1064677454.db2.gz DUCUIQPTGBJBLW-QHCPKHFHSA-N 1 0 496.700 4.162 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001315592445 1064684102 /nfs/dbraw/zinc/68/41/02/1064684102.db2.gz YGGCGQUKEFDMMG-YADARESESA-N 1 0 496.681 4.059 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cccs2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315593023 1064686700 /nfs/dbraw/zinc/68/67/00/1064686700.db2.gz YODXFVIESCRACX-LJQANCHMSA-N 1 0 455.628 4.153 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCCSC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315594625 1064691616 /nfs/dbraw/zinc/69/16/16/1064691616.db2.gz JZRYEGLFAJXTGR-KDURUIRLSA-N 1 0 461.676 4.031 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315596230 1064696609 /nfs/dbraw/zinc/69/66/09/1064696609.db2.gz IITWMLXNZZLRGQ-BBTUJRGHSA-N 1 0 481.563 4.374 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001315596360 1064697414 /nfs/dbraw/zinc/69/74/14/1064697414.db2.gz IZXNPGOXXSBPJV-RDPSFJRHSA-N 1 0 455.647 4.466 20 0 JIADRO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001315597174 1064699072 /nfs/dbraw/zinc/69/90/72/1064699072.db2.gz PQTOEDOKUIETAW-UHFFFAOYSA-N 1 0 453.631 4.249 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001315597875 1064700841 /nfs/dbraw/zinc/70/08/41/1064700841.db2.gz HABRDNYSIYNAFI-XMMPIXPASA-N 1 0 495.590 4.359 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315598684 1064702677 /nfs/dbraw/zinc/70/26/77/1064702677.db2.gz CERRLHUCWXONJA-XMMPIXPASA-N 1 0 496.700 4.205 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001315602569 1064712863 /nfs/dbraw/zinc/71/28/63/1064712863.db2.gz KSMLZRHHNDJPMQ-HXUWFJFHSA-N 1 0 498.672 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315605594 1064720104 /nfs/dbraw/zinc/72/01/04/1064720104.db2.gz VOZBSZOAERXRQP-PKTZIBPZSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315605663 1064720192 /nfs/dbraw/zinc/72/01/92/1064720192.db2.gz WVPQPPCDMZFGIZ-QFIPXVFZSA-N 1 0 496.700 4.064 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCOC(F)F ZINC001315607937 1064726343 /nfs/dbraw/zinc/72/63/43/1064726343.db2.gz SQUHUZSOWLJHCI-UHFFFAOYSA-N 1 0 451.562 4.141 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001315608260 1064726800 /nfs/dbraw/zinc/72/68/00/1064726800.db2.gz WDPWNRRFZYVNIW-UGKGYDQZSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315612944 1064735519 /nfs/dbraw/zinc/73/55/19/1064735519.db2.gz LNVFNKVCPCEDKM-FSSWDIPSSA-N 1 0 455.647 4.151 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001315613015 1064735907 /nfs/dbraw/zinc/73/59/07/1064735907.db2.gz MLNLNPLHNFQDGM-XUZZJYLKSA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315613032 1064736026 /nfs/dbraw/zinc/73/60/26/1064736026.db2.gz MTKGISZIFUBOGH-HYBUGGRVSA-N 1 0 477.657 4.322 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[NH+]1CCCCC1 ZINC001315613488 1064736971 /nfs/dbraw/zinc/73/69/71/1064736971.db2.gz QZSAHPRCQUHTBF-OAQYLSRUSA-N 1 0 450.631 4.236 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315614171 1064738512 /nfs/dbraw/zinc/73/85/12/1064738512.db2.gz ASBZIDBWNJHQHD-QFIPXVFZSA-N 1 0 462.623 4.273 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315614559 1064738685 /nfs/dbraw/zinc/73/86/85/1064738685.db2.gz WLBBXQAUYPLROK-FQEVSTJZSA-N 1 0 465.646 4.019 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC[NH+]1CCCCCC1 ZINC001315616382 1064743247 /nfs/dbraw/zinc/74/32/47/1064743247.db2.gz LYURYYGRMQQXDD-QFIPXVFZSA-N 1 0 462.642 4.216 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315617052 1064745632 /nfs/dbraw/zinc/74/56/32/1064745632.db2.gz QGULBCXOLUDYLU-VXKWHMMOSA-N 1 0 462.642 4.072 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315617764 1064747364 /nfs/dbraw/zinc/74/73/64/1064747364.db2.gz HQPKPLOPPKWRPO-UHFFFAOYSA-N 1 0 459.660 4.015 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315617797 1064748273 /nfs/dbraw/zinc/74/82/73/1064748273.db2.gz IOMVVDDLWRKJFG-UHFFFAOYSA-N 1 0 471.646 4.077 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+](C)C ZINC001315618223 1064748732 /nfs/dbraw/zinc/74/87/32/1064748732.db2.gz VAVUTGWHVOBXMP-KLJZETAQSA-N 1 0 457.663 4.223 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315619338 1064752051 /nfs/dbraw/zinc/75/20/51/1064752051.db2.gz RVDJQGJKZYCNHU-NHCUHLMSSA-N 1 0 469.655 4.247 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315620400 1064754020 /nfs/dbraw/zinc/75/40/20/1064754020.db2.gz LDOWLMUISACNMV-PBDKAQRYSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](C)OC ZINC001315622438 1064759576 /nfs/dbraw/zinc/75/95/76/1064759576.db2.gz NMFWKPMZTMEOCC-NRFANRHFSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001315623146 1064760807 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JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001315669940 1064898006 /nfs/dbraw/zinc/89/80/06/1064898006.db2.gz YXSKEMAGPUKFFO-UHFFFAOYSA-N 1 0 473.687 4.316 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685566 1064936038 /nfs/dbraw/zinc/93/60/38/1064936038.db2.gz JGBAYSGWHUNWEK-SELNLUPBSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315691400 1064947741 /nfs/dbraw/zinc/94/77/41/1064947741.db2.gz IWDQBKYJXCGBAC-JTHBVZDNSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001315701169 1064964875 /nfs/dbraw/zinc/96/48/75/1064964875.db2.gz DBLYGAXWMJSLMA-NZQKXSOJSA-N 1 0 453.656 4.456 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315702532 1064966937 /nfs/dbraw/zinc/96/69/37/1064966937.db2.gz HJXLXQSYJOTFQG-SONWIMMPSA-N 1 0 453.675 4.437 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001315703241 1064968370 /nfs/dbraw/zinc/96/83/70/1064968370.db2.gz IEVFNZJCMXNREE-SFHVURJKSA-N 1 0 454.594 4.499 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001315705821 1064976162 /nfs/dbraw/zinc/97/61/62/1064976162.db2.gz VAAWHGQXEYHLLQ-UHFFFAOYSA-N 1 0 482.717 4.391 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315706345 1064977410 /nfs/dbraw/zinc/97/74/10/1064977410.db2.gz DHJZRRRSJKLCKH-YTFSRNRJSA-N 1 0 461.695 4.468 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001315706709 1064978565 /nfs/dbraw/zinc/97/85/65/1064978565.db2.gz WGLSTEYFNGINSR-NRFANRHFSA-N 1 0 454.663 4.026 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001315706793 1064979528 /nfs/dbraw/zinc/97/95/28/1064979528.db2.gz XZDDQPUWMRNXBM-QZTJIDSGSA-N 1 0 493.668 4.367 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001315707265 1064980847 /nfs/dbraw/zinc/98/08/47/1064980847.db2.gz XFLYQQMBYBPKIO-UHFFFAOYSA-N 1 0 479.673 4.172 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315708940 1064984428 /nfs/dbraw/zinc/98/44/28/1064984428.db2.gz FQEMXVOFRIDXKG-NZQKXSOJSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C[NH+](C)C)CC[C@H]1C ZINC001315711410 1064988976 /nfs/dbraw/zinc/98/89/76/1064988976.db2.gz CSXIXCPAZUWPSW-APWZRJJASA-N 1 0 464.452 4.157 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC[C@H]1C ZINC001315713868 1065000819 /nfs/dbraw/zinc/00/08/19/1065000819.db2.gz QEXFZDYRHJGVPO-DBXWQHBBSA-N 1 0 493.494 4.172 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCC2)CC[C@@H]1C ZINC001315714386 1065002048 /nfs/dbraw/zinc/00/20/48/1065002048.db2.gz RVQRGUCPLFFYDI-BBTUJRGHSA-N 1 0 476.463 4.301 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCCC2)CC[C@H]1C ZINC001315716651 1065007050 /nfs/dbraw/zinc/00/70/50/1065007050.db2.gz LAVNXDWRKAZNAZ-WIYYLYMNSA-N 1 0 476.463 4.445 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001315716753 1065007705 /nfs/dbraw/zinc/00/77/05/1065007705.db2.gz USBUBKLFGACJLL-FAKFISEUSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)CC1(C)C ZINC001315717248 1065008895 /nfs/dbraw/zinc/00/88/95/1065008895.db2.gz OLXZGLDPSONMRX-AUUYWEPGSA-N 1 0 480.426 4.191 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001315719804 1065014151 /nfs/dbraw/zinc/01/41/51/1065014151.db2.gz UFVWICIABPZYIU-URXFXBBRSA-N 1 0 483.701 4.339 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CC[C@H]1C ZINC001315719908 1065014335 /nfs/dbraw/zinc/01/43/35/1065014335.db2.gz UTOBGFVXJLJAEI-CVEARBPZSA-N 1 0 470.481 4.361 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC[C@H]1C ZINC001315730501 1065027896 /nfs/dbraw/zinc/02/78/96/1065027896.db2.gz IWZRSHINHHDCQR-UEVCKROQSA-N 1 0 453.656 4.403 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[C@@H]1C ZINC001315730500 1065028014 /nfs/dbraw/zinc/02/80/14/1065028014.db2.gz IWZRSHINHHDCQR-AJSBUHFISA-N 1 0 453.656 4.403 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001315732476 1065030392 /nfs/dbraw/zinc/03/03/92/1065030392.db2.gz PCAXNSRMXQJDDN-BJKOFHAPSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315735408 1065036852 /nfs/dbraw/zinc/03/68/52/1065036852.db2.gz YZFBYSWKUPLWIO-WPFOTENUSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315737630 1065041492 /nfs/dbraw/zinc/04/14/92/1065041492.db2.gz VEGQANNOFSVWKC-LADGPHEKSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC[C@@H]1C ZINC001315737951 1065042546 /nfs/dbraw/zinc/04/25/46/1065042546.db2.gz WJQXCJLUGYYKCP-OEMFJLHTSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC[C@H]1C ZINC001315737950 1065042635 /nfs/dbraw/zinc/04/26/35/1065042635.db2.gz WJQXCJLUGYYKCP-GMKZXUHWSA-N 1 0 455.647 4.147 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[C@H]1C ZINC001315738501 1065043483 /nfs/dbraw/zinc/04/34/83/1065043483.db2.gz YLOCWJQZVAINPZ-JRFVFWCSSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001315744405 1065054966 /nfs/dbraw/zinc/05/49/66/1065054966.db2.gz WCBHVSLOBTWXEU-HOUBMWHVSA-N 1 0 487.714 4.239 20 0 JIADRO COCC(C)(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001315760781 1065071217 /nfs/dbraw/zinc/07/12/17/1065071217.db2.gz STJPKJHNOLGQEH-HSZRJFAPSA-N 1 0 488.721 4.059 20 0 JIADRO COCC(C)(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001315763010 1065077859 /nfs/dbraw/zinc/07/78/59/1065077859.db2.gz XJVMAXPSGKJADK-UHFFFAOYSA-N 1 0 480.657 4.021 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001315764136 1065080381 /nfs/dbraw/zinc/08/03/81/1065080381.db2.gz RITCEYMXRGCLAB-UHFFFAOYSA-N 1 0 469.033 4.297 20 0 JIADRO COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315827155 1065184230 /nfs/dbraw/zinc/18/42/30/1065184230.db2.gz QLWZROCGZPCEFR-MOUTVQLLSA-N 1 0 487.664 4.282 20 0 JIADRO COCC1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315834724 1065208169 /nfs/dbraw/zinc/20/81/69/1065208169.db2.gz KMOCIXMCZIZMEV-HSZRJFAPSA-N 1 0 453.675 4.437 20 0 JIADRO COCC1(Cn2c(C(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC001315843122 1065228103 /nfs/dbraw/zinc/22/81/03/1065228103.db2.gz VHMLDDLFTMFDPB-UHFFFAOYSA-N 1 0 468.690 4.257 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315860947 1065270776 /nfs/dbraw/zinc/27/07/76/1065270776.db2.gz MDUWXIZKDDVUSE-UHFFFAOYSA-N 1 0 460.022 4.122 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001315861209 1065272029 /nfs/dbraw/zinc/27/20/29/1065272029.db2.gz WFICTSUQTKMOIH-UHFFFAOYSA-N 1 0 480.440 4.146 20 0 JIADRO COCC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001315861748 1065273268 /nfs/dbraw/zinc/27/32/68/1065273268.db2.gz HDSDFHOKVLZJPD-NHCUHLMSSA-N 1 0 471.621 4.462 20 0 JIADRO COCC1=CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001315862541 1065275353 /nfs/dbraw/zinc/27/53/53/1065275353.db2.gz ORTDPMNPCMNMHF-FPOVZHCZSA-N 1 0 453.631 4.301 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001315866180 1065282937 /nfs/dbraw/zinc/28/29/37/1065282937.db2.gz ZIJMNPZSVVINNW-SFHVURJKSA-N 1 0 474.447 4.222 20 0 JIADRO COCc1nc(Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cs1 ZINC001315868689 1065288244 /nfs/dbraw/zinc/28/82/44/1065288244.db2.gz LXSSDYJVEJKAKE-UHFFFAOYSA-N 1 0 458.632 4.056 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315869303 1065290596 /nfs/dbraw/zinc/29/05/96/1065290596.db2.gz DPUDFJXGSYSKBI-NFBKMPQASA-N 1 0 467.658 4.377 20 0 JIADRO COCC1=CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001315869682 1065292295 /nfs/dbraw/zinc/29/22/95/1065292295.db2.gz RTGWVVVSUUEKCA-UHFFFAOYSA-N 1 0 453.631 4.131 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001315877302 1065309135 /nfs/dbraw/zinc/30/91/35/1065309135.db2.gz CXQSJNMXGHYWMM-FCHUYYIVSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315879083 1065313511 /nfs/dbraw/zinc/31/35/11/1065313511.db2.gz JQQKNZHAOVRMPV-XUZZJYLKSA-N 1 0 454.663 4.027 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001315880796 1065317977 /nfs/dbraw/zinc/31/79/77/1065317977.db2.gz MACFGJYSYVWDAW-NFBKMPQASA-N 1 0 476.065 4.088 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001315883531 1065325923 /nfs/dbraw/zinc/32/59/23/1065325923.db2.gz UAAHXUIXVDJSFB-GOSISDBHSA-N 1 0 494.503 4.009 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315884901 1065330299 /nfs/dbraw/zinc/33/02/99/1065330299.db2.gz YVKPVTWFAPCAQN-FGZHOGPDSA-N 1 0 455.647 4.471 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315885903 1065333973 /nfs/dbraw/zinc/33/39/73/1065333973.db2.gz BQZJDGQPEQAHSL-OAQYLSRUSA-N 1 0 473.637 4.371 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001315887646 1065338763 /nfs/dbraw/zinc/33/87/63/1065338763.db2.gz YQASGRKEJLJWOW-FQEVSTJZSA-N 1 0 476.065 4.087 20 0 JIADRO 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COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001316125570 1065795527 /nfs/dbraw/zinc/79/55/27/1065795527.db2.gz QRNMCFCBZFZAER-LJQANCHMSA-N 1 0 494.055 4.491 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCSC2)C[C@@H]1C ZINC001316125684 1065796566 /nfs/dbraw/zinc/79/65/66/1065796566.db2.gz NDUNVOHKVXTJRC-ZWKOTPCHSA-N 1 0 494.503 4.008 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2)C[C@H]1C ZINC001316125660 1065796629 /nfs/dbraw/zinc/79/66/29/1065796629.db2.gz MSTQWXSCGVMWCY-YLJYHZDGSA-N 1 0 494.503 4.150 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](C)C2)C[C@@H]1C ZINC001316126140 1065797330 /nfs/dbraw/zinc/79/73/30/1065797330.db2.gz TXLLPFIPSKKATG-CEXWTWQISA-N 1 0 476.463 4.301 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](C)C2)C[C@@H]1C ZINC001316126142 1065797715 /nfs/dbraw/zinc/79/77/15/1065797715.db2.gz TXLLPFIPSKKATG-GBESFXJTSA-N 1 0 476.463 4.301 20 0 JIADRO COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001316125692 1065797826 /nfs/dbraw/zinc/79/78/26/1065797826.db2.gz NMVALRFKGPDFCG-QHCPKHFHSA-N 1 0 482.717 4.276 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC2CCCC2)C[C@H]1C ZINC001316128529 1065800446 /nfs/dbraw/zinc/80/04/46/1065800446.db2.gz HGMAOJCUIMQTEZ-LJQANCHMSA-N 1 0 462.038 4.105 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)C[C@@H]1C ZINC001316138223 1065804028 /nfs/dbraw/zinc/80/40/28/1065804028.db2.gz BOMNSDVQNFJYSC-DPZBCOQUSA-N 1 0 499.700 4.082 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccc(F)c2)C[C@@H]1C ZINC001316138887 1065804729 /nfs/dbraw/zinc/80/47/29/1065804729.db2.gz WZMHIFMMSSHRAQ-FQEVSTJZSA-N 1 0 457.638 4.285 20 0 JIADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](SC)C(C)(C)C)C[C@H]1C ZINC001316141532 1065808843 /nfs/dbraw/zinc/80/88/43/1065808843.db2.gz YCBQIXXORNUKNE-MXEMCNAFSA-N 1 0 481.751 4.131 20 0 JIADRO COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001316157388 1065821607 /nfs/dbraw/zinc/82/16/07/1065821607.db2.gz AOYYYJPDEGAMNS-HBMCJLEFSA-N 1 0 459.635 4.305 20 0 JIADRO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001316161228 1065827858 /nfs/dbraw/zinc/82/78/58/1065827858.db2.gz XBGBWBBGMLTORZ-FDFHNCONSA-N 1 0 455.647 4.007 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001316168141 1065839969 /nfs/dbraw/zinc/83/99/69/1065839969.db2.gz BFQXJUHJNYJAAE-LJQANCHMSA-N 1 0 495.590 4.425 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316172769 1065846487 /nfs/dbraw/zinc/84/64/87/1065846487.db2.gz LXVLNUIHEJIYOB-FUHWJXTLSA-N 1 0 498.491 4.246 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1Cc1nc(C)c(C)s1 ZINC001316174093 1065848836 /nfs/dbraw/zinc/84/88/36/1065848836.db2.gz FTUKHRALEPLYJL-FPOVZHCZSA-N 1 0 498.697 4.225 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001316176699 1065854659 /nfs/dbraw/zinc/85/46/59/1065854659.db2.gz JOICEAUTMINRPZ-MGPUTAFESA-N 1 0 486.419 4.343 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001316176705 1065854854 /nfs/dbraw/zinc/85/48/54/1065854854.db2.gz JOICEAUTMINRPZ-YWZLYKJASA-N 1 0 486.419 4.343 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001316177582 1065856775 /nfs/dbraw/zinc/85/67/75/1065856775.db2.gz MEBSHCIEXRVTNC-DGCXEHQPSA-N 1 0 491.721 4.325 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316183644 1065867426 /nfs/dbraw/zinc/86/74/26/1065867426.db2.gz XFXSWRYZFHUIOK-RTWAWAEBSA-N 1 0 479.710 4.297 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316183791 1065868005 /nfs/dbraw/zinc/86/80/05/1065868005.db2.gz LIFDCPAQSFTHJU-WOJBJXKFSA-N 1 0 473.637 4.387 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H]2c2ccco2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316192567 1065884427 /nfs/dbraw/zinc/88/44/27/1065884427.db2.gz LNMHZLDUHTVPRI-NJDAHSKKSA-N 1 0 459.635 4.447 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001316192659 1065885012 /nfs/dbraw/zinc/88/50/12/1065885012.db2.gz FJJQEVBRPGUMEZ-DVAKJLRASA-N 1 0 491.721 4.034 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001316200013 1065897129 /nfs/dbraw/zinc/89/71/29/1065897129.db2.gz MCJJZYQYVILYGR-ZCYQVOJMSA-N 1 0 485.673 4.064 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316209921 1065912654 /nfs/dbraw/zinc/91/26/54/1065912654.db2.gz NBMLAJMOGLLGHK-DRMXPCRNSA-N 1 0 479.691 4.008 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCc2ccccc21 ZINC001316211315 1065914574 /nfs/dbraw/zinc/91/45/74/1065914574.db2.gz IKWMLXAKOWVLJQ-GMAHTHKFSA-N 1 0 469.674 4.290 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316213456 1065921581 /nfs/dbraw/zinc/92/15/81/1065921581.db2.gz QXSJDUXONFFDTR-WXVAWEFUSA-N 1 0 485.673 4.019 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316218398 1065930879 /nfs/dbraw/zinc/93/08/79/1065930879.db2.gz CHUKVOBOOFIZBN-XMQYJYNESA-N 1 0 499.700 4.399 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316231991 1065958958 /nfs/dbraw/zinc/95/89/58/1065958958.db2.gz ATJTUXOWSICWTA-NZQKXSOJSA-N 1 0 476.065 4.351 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316232967 1065960856 /nfs/dbraw/zinc/96/08/56/1065960856.db2.gz FPJDBEAYIXZSMA-FQEVSTJZSA-N 1 0 492.064 4.113 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316233031 1065961420 /nfs/dbraw/zinc/96/14/20/1065961420.db2.gz GQCMWVCMHAKKMP-IRFCIJBXSA-N 1 0 494.055 4.490 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001316235401 1065966480 /nfs/dbraw/zinc/96/64/80/1065966480.db2.gz XEHWTCHOXIAEBV-LEWJYISDSA-N 1 0 459.635 4.028 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001316240052 1065978118 /nfs/dbraw/zinc/97/81/18/1065978118.db2.gz UGFUHUSTBRZDDM-DEOSSOPVSA-N 1 0 469.674 4.359 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001316246765 1065988109 /nfs/dbraw/zinc/98/81/09/1065988109.db2.gz FELBKVGLOAFJES-XMMPIXPASA-N 1 0 469.674 4.143 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316270903 1066015726 /nfs/dbraw/zinc/01/57/26/1066015726.db2.gz ZKTZTUWADKHMTL-GBAJDQEWSA-N 1 0 495.590 4.301 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001316271653 1066017452 /nfs/dbraw/zinc/01/74/52/1066017452.db2.gz JAIKGZFPIRKISM-RFWXGWTQSA-N 1 0 477.600 4.037 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316271652 1066017669 /nfs/dbraw/zinc/01/76/69/1066017669.db2.gz JAIKGZFPIRKISM-LEDOBFOHSA-N 1 0 477.600 4.037 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001316272652 1066019516 /nfs/dbraw/zinc/01/95/16/1066019516.db2.gz LVBQOCQGHBAZEK-ONTLXTELSA-N 1 0 455.647 4.320 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)cc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316274171 1066023381 /nfs/dbraw/zinc/02/33/81/1066023381.db2.gz NUVCDDVDYMJKBR-RFWXGWTQSA-N 1 0 491.627 4.427 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316274210 1066023528 /nfs/dbraw/zinc/02/35/28/1066023528.db2.gz IPSRBIVLQYBIJW-NWSQWKLXSA-N 1 0 473.637 4.288 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccs2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316276822 1066029427 /nfs/dbraw/zinc/02/94/27/1066029427.db2.gz TZXHTYTWCZPUCX-BVSLBCMMSA-N 1 0 455.628 4.003 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001316278990 1066032285 /nfs/dbraw/zinc/03/22/85/1066032285.db2.gz MEPARSLXTWFSDK-SSPYTLHUSA-N 1 0 491.721 4.297 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001316279001 1066032404 /nfs/dbraw/zinc/03/24/04/1066032404.db2.gz GDMVPRNBFZADOB-GMAHTHKFSA-N 1 0 473.637 4.431 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316285058 1066041483 /nfs/dbraw/zinc/04/14/83/1066041483.db2.gz KKHVIJGLVGKKLO-JBACZVJFSA-N 1 0 477.600 4.367 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](C)COCc1ccccc1 ZINC001316289846 1066048934 /nfs/dbraw/zinc/04/89/34/1066048934.db2.gz XQFIUMOCQXEDTA-HVCNVCAESA-N 1 0 499.700 4.166 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001316291106 1066051164 /nfs/dbraw/zinc/05/11/64/1066051164.db2.gz CYMORGWULUMOBV-HTDNTCHWSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001316291685 1066052482 /nfs/dbraw/zinc/05/24/82/1066052482.db2.gz LDVVVGPNIPAIIC-ACESQOTJSA-N 1 0 479.735 4.092 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)C(F)(F)F ZINC001316296546 1066057282 /nfs/dbraw/zinc/05/72/82/1066057282.db2.gz HNJZZSSUSLSDLY-GIVPXCGWSA-N 1 0 495.590 4.301 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001316298687 1066059311 /nfs/dbraw/zinc/05/93/11/1066059311.db2.gz ZSGPJVDTMSXQQX-RNLGNXJRSA-N 1 0 491.721 4.298 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001316301923 1066062274 /nfs/dbraw/zinc/06/22/74/1066062274.db2.gz LMVPTBIWMATQMX-MQFRRQCYSA-N 1 0 491.627 4.252 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001316303724 1066064140 /nfs/dbraw/zinc/06/41/40/1066064140.db2.gz WTMQTVLNQFRZRR-WIYBCGNWSA-N 1 0 483.648 4.098 20 0 JIADRO CON(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316303636 1066064399 /nfs/dbraw/zinc/06/43/99/1066064399.db2.gz HUJKIXOWQSWWRS-LJQANCHMSA-N 1 0 478.037 4.331 20 0 JIADRO CON(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001316304472 1066065263 /nfs/dbraw/zinc/06/52/63/1066065263.db2.gz JNDOIVXVRSSKLV-RTBURBONSA-N 1 0 469.586 4.003 20 0 JIADRO CON(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001316304471 1066065329 /nfs/dbraw/zinc/06/53/29/1066065329.db2.gz JNDOIVXVRSSKLV-OALUTQOASA-N 1 0 469.586 4.003 20 0 JIADRO CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001316311567 1066067629 /nfs/dbraw/zinc/06/76/29/1066067629.db2.gz VGZRQVPRKYLBAV-OAQYLSRUSA-N 1 0 476.666 4.187 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001316314201 1066070769 /nfs/dbraw/zinc/07/07/69/1066070769.db2.gz MQLPYJAUMFUOTB-XSDIEEQYSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001316314926 1066071273 /nfs/dbraw/zinc/07/12/73/1066071273.db2.gz VLTFRZHKJAEFFP-NNMXDRDESA-N 1 0 462.038 4.417 20 0 JIADRO CSC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316363330 1066099670 /nfs/dbraw/zinc/09/96/70/1066099670.db2.gz KLFLIVUYMXZDPQ-NRFANRHFSA-N 1 0 487.714 4.478 20 0 JIADRO CSC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316371304 1066120895 /nfs/dbraw/zinc/12/08/95/1066120895.db2.gz HHDSOULADYBDPQ-OYRHEFFESA-N 1 0 488.721 4.144 20 0 JIADRO CSC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001316373396 1066128115 /nfs/dbraw/zinc/12/81/15/1066128115.db2.gz XPKQRCBSWBFQEA-UHFFFAOYSA-N 1 0 470.712 4.406 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384323 1066153802 /nfs/dbraw/zinc/15/38/02/1066153802.db2.gz STPFLDRETSLZMC-OALUTQOASA-N 1 0 470.712 4.486 20 0 JIADRO CS[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316393576 1066169000 /nfs/dbraw/zinc/16/90/00/1066169000.db2.gz IZJZSKORYIOZGC-PABCKOPISA-N 1 0 493.762 4.275 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316397304 1066174975 /nfs/dbraw/zinc/17/49/75/1066174975.db2.gz CSKHMBPJEWAGTO-PMACEKPBSA-N 1 0 494.750 4.359 20 0 JIADRO CSC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCOC2)CC[NH+](C)CC1 ZINC001316398745 1066176491 /nfs/dbraw/zinc/17/64/91/1066176491.db2.gz NBQDSYFLQRPVDN-VQTJNVASSA-N 1 0 491.677 4.247 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCO[C@@H](CCc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316406500 1066189470 /nfs/dbraw/zinc/18/94/70/1066189470.db2.gz DYVNCXGJSOIRDS-QHCPKHFHSA-N 1 0 471.715 4.142 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316408928 1066194118 /nfs/dbraw/zinc/19/41/18/1066194118.db2.gz XDTBMBGZZMVGAF-IBGZPJMESA-N 1 0 494.750 4.140 20 0 JIADRO CSC1(Cn2c(CCOc3ccccc3)nnc2N2CC[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC001316409549 1066195290 /nfs/dbraw/zinc/19/52/90/1066195290.db2.gz JHEINJQHEIHENO-NRFANRHFSA-N 1 0 457.688 4.209 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316419631 1066222557 /nfs/dbraw/zinc/22/25/57/1066222557.db2.gz KCSNLMGFCDDHBX-OAQYLSRUSA-N 1 0 453.660 4.157 20 0 JIADRO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324857421 1066230853 /nfs/dbraw/zinc/23/08/53/1066230853.db2.gz JJTZTPJVZIQQKE-SJLPKXTDSA-N 1 0 468.648 4.382 20 0 JIADRO O=C(COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001324874495 1066231880 /nfs/dbraw/zinc/23/18/80/1066231880.db2.gz CJRZAKTZIQSFLG-FQEVSTJZSA-N 1 0 461.484 4.033 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001316423223 1066233998 /nfs/dbraw/zinc/23/39/98/1066233998.db2.gz MMABBPSKTDIPOB-MAUKXSAKSA-N 1 0 452.466 4.380 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001316423863 1066237913 /nfs/dbraw/zinc/23/79/13/1066237913.db2.gz JLHLRFKWIKBFQW-UHFFFAOYSA-N 1 0 458.720 4.251 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc4c(c3)OCCO4)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492499012 1066239116 /nfs/dbraw/zinc/23/91/16/1066239116.db2.gz AJQRIMICCIUGQO-NRFANRHFSA-N 1 0 464.614 4.032 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316424488 1066239765 /nfs/dbraw/zinc/23/97/65/1066239765.db2.gz ARAJQSILQZLOKH-ZCNNSNEGSA-N 1 0 451.725 4.476 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001316425461 1066243317 /nfs/dbraw/zinc/24/33/17/1066243317.db2.gz AENZPMHVAFORQX-JOCHJYFZSA-N 1 0 468.671 4.178 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492499379 1066247597 /nfs/dbraw/zinc/24/75/97/1066247597.db2.gz OJORFRGZXAXGMC-PMACEKPBSA-N 1 0 466.605 4.312 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001316426996 1066248019 /nfs/dbraw/zinc/24/80/19/1066248019.db2.gz DWDIIRQWEJAWBB-VXKWHMMOSA-N 1 0 478.106 4.091 20 0 JIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001325454624 1066250864 /nfs/dbraw/zinc/25/08/64/1066250864.db2.gz ZFRZCYWFUGGBQU-UHFFFAOYSA-N 1 0 497.397 4.097 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316427728 1066253107 /nfs/dbraw/zinc/25/31/07/1066253107.db2.gz UZFBFVSOTQDJBR-YMPZKCBVSA-N 1 0 457.688 4.415 20 0 JIADRO CSCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC001316429768 1066262148 /nfs/dbraw/zinc/26/21/48/1066262148.db2.gz DZXOXVHRXXPDIZ-DEOSSOPVSA-N 1 0 498.741 4.276 20 0 JIADRO CC(C)[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)CCc1ccccc1 ZINC001325995655 1066278271 /nfs/dbraw/zinc/27/82/71/1066278271.db2.gz IWXWFHBYGOPLNA-UHFFFAOYSA-N 1 0 478.058 4.406 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001316433359 1066278499 /nfs/dbraw/zinc/27/84/99/1066278499.db2.gz OZAOFTVUQXAXDG-PUHATCMVSA-N 1 0 484.714 4.049 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001316433670 1066279187 /nfs/dbraw/zinc/27/91/87/1066279187.db2.gz JXPDFLBWMGXJCA-WBVHZDCISA-N 1 0 467.481 4.099 20 0 JIADRO CSCc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC001316435511 1066286016 /nfs/dbraw/zinc/28/60/16/1066286016.db2.gz YUXWDSHAHOFOBB-HXUWFJFHSA-N 1 0 471.715 4.468 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492501228 1066293394 /nfs/dbraw/zinc/29/33/94/1066293394.db2.gz HCCPGTKICKVCCB-JEHQLEFQSA-N 1 0 494.709 4.154 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC001327056902 1066310088 /nfs/dbraw/zinc/31/00/88/1066310088.db2.gz QTMYCCPIRAKPBR-XZOQPEGZSA-N 1 0 454.615 4.147 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316443982 1066310357 /nfs/dbraw/zinc/31/03/57/1066310357.db2.gz HARWFHMTUMNZKC-NQIIRXRSSA-N 1 0 484.670 4.195 20 0 JIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC001327213158 1066313836 /nfs/dbraw/zinc/31/38/36/1066313836.db2.gz PHVJXSXTIGMNMH-MUUNZHRXSA-N 1 0 483.547 4.331 20 0 JIADRO COc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC001327320809 1066315859 /nfs/dbraw/zinc/31/58/59/1066315859.db2.gz LBKXVENSLOWETR-SFHVURJKSA-N 1 0 494.057 4.025 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC001492503828 1066317203 /nfs/dbraw/zinc/31/72/03/1066317203.db2.gz XGTBASRYOAATPM-DEOSSOPVSA-N 1 0 476.669 4.464 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316446518 1066317916 /nfs/dbraw/zinc/31/79/16/1066317916.db2.gz LKNVVJFQINNLEN-QZTJIDSGSA-N 1 0 452.068 4.145 20 0 JIADRO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492505179 1066322905 /nfs/dbraw/zinc/32/29/05/1066322905.db2.gz VECJREZMTWDNRE-NRFANRHFSA-N 1 0 454.663 4.410 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@H+]2CC=CCC2)n1 ZINC001492508115 1066332297 /nfs/dbraw/zinc/33/22/97/1066332297.db2.gz IMRCBKLCUFUCET-UHFFFAOYSA-N 1 0 474.453 4.232 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[NH+]1CCC(C)CC1 ZINC001316453156 1066336144 /nfs/dbraw/zinc/33/61/44/1066336144.db2.gz ZAUVVEXFBDKMPO-KNQAVFIVSA-N 1 0 459.660 4.100 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509058 1066336339 /nfs/dbraw/zinc/33/63/39/1066336339.db2.gz GNYAIFXMPDHTCK-VXJJZJMSSA-N 1 0 494.709 4.297 20 0 JIADRO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454752 1066341559 /nfs/dbraw/zinc/34/15/59/1066341559.db2.gz UZIFHBHRWQLRKW-WIOPSUGQSA-N 1 0 498.741 4.247 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3[nH]c4ccc(C)cc4c3Cl)cc2)CC1 ZINC001329974301 1066345016 /nfs/dbraw/zinc/34/50/16/1066345016.db2.gz IUBTWAFPENMZLE-UHFFFAOYSA-N 1 0 454.958 4.067 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492511806 1066347772 /nfs/dbraw/zinc/34/77/72/1066347772.db2.gz KLVHGCLMTXPRAO-HXUWFJFHSA-N 1 0 497.688 4.122 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492512020 1066349246 /nfs/dbraw/zinc/34/92/46/1066349246.db2.gz SSGASHJKTZFMOK-NRFANRHFSA-N 1 0 497.688 4.264 20 0 JIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1 ZINC001331366240 1066359373 /nfs/dbraw/zinc/35/93/73/1066359373.db2.gz QWOAQSWTOVHGLU-UHFFFAOYSA-N 1 0 489.572 4.119 20 0 JIADRO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001331808166 1066362890 /nfs/dbraw/zinc/36/28/90/1066362890.db2.gz XLSPQCOOLRBWHT-RBZQAINGSA-N 1 0 474.630 4.311 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492515994 1066363221 /nfs/dbraw/zinc/36/32/21/1066363221.db2.gz MOGQXPWZRCEQCE-KSEOMHKRSA-N 1 0 497.688 4.262 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([NH+](C)C)CCCCC1 ZINC001316465145 1066364692 /nfs/dbraw/zinc/36/46/92/1066364692.db2.gz FHIRUWBJUOKLLC-UHFFFAOYSA-N 1 0 459.660 4.170 20 0 JIADRO CSCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCC1 ZINC001316465454 1066366041 /nfs/dbraw/zinc/36/60/41/1066366041.db2.gz JXLOBRVJVFVHIQ-UHFFFAOYSA-N 1 0 458.676 4.211 20 0 JIADRO CSCCCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001316470585 1066376321 /nfs/dbraw/zinc/37/63/21/1066376321.db2.gz LGMWCDIFRAXTCM-FQEVSTJZSA-N 1 0 480.723 4.068 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001492518524 1066378552 /nfs/dbraw/zinc/37/85/52/1066378552.db2.gz IOYXJDIBRLZLOC-UHFFFAOYSA-N 1 0 458.532 4.494 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN(C)c2ccccc2F)n1 ZINC001492518686 1066380076 /nfs/dbraw/zinc/38/00/76/1066380076.db2.gz NGXVOLPYDUDOJQ-UHFFFAOYSA-N 1 0 465.621 4.092 20 0 JIADRO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)N3CCCC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492522997 1066391630 /nfs/dbraw/zinc/39/16/30/1066391630.db2.gz HRXPNUHHYVVFBT-HSZRJFAPSA-N 1 0 452.647 4.283 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC[NH+](C)C ZINC001316480562 1066394905 /nfs/dbraw/zinc/39/49/05/1066394905.db2.gz QKQJNDRPDYAIHE-FQEVSTJZSA-N 1 0 465.646 4.072 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487234 1066409422 /nfs/dbraw/zinc/40/94/22/1066409422.db2.gz KTCMPSIZFFSOKD-LSBZLQRGSA-N 1 0 450.484 4.350 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487259 1066409652 /nfs/dbraw/zinc/40/96/52/1066409652.db2.gz LBYRPNPQHJDIRK-ZTNFWEORSA-N 1 0 464.511 4.360 20 0 JIADRO C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1F ZINC001316492652 1066432366 /nfs/dbraw/zinc/43/23/66/1066432366.db2.gz PNCCAXYEQJBBGO-QFUCXCTJSA-N 1 0 482.069 4.255 20 0 JIADRO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316498955 1066456513 /nfs/dbraw/zinc/45/65/13/1066456513.db2.gz HNNFATBHORLLBB-LEWJYISDSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316499545 1066457939 /nfs/dbraw/zinc/45/79/39/1066457939.db2.gz ZDRITWKXAYUPPV-LEWJYISDSA-N 1 0 490.693 4.230 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)C1(F)F ZINC001316500701 1066459984 /nfs/dbraw/zinc/45/99/84/1066459984.db2.gz LEOAMDBZGFGZOH-HYFFOGBASA-N 1 0 467.605 4.173 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c2ccccc2)CC1 ZINC001337671981 1066502071 /nfs/dbraw/zinc/50/20/71/1066502071.db2.gz IVAJUCSYASZKPE-XMMPIXPASA-N 1 0 458.562 4.243 20 0 JIADRO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC001337820673 1066514144 /nfs/dbraw/zinc/51/41/44/1066514144.db2.gz PVEYNLQRBHCNMK-SFHVURJKSA-N 1 0 469.563 4.178 20 0 JIADRO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC001337818621 1066514237 /nfs/dbraw/zinc/51/42/37/1066514237.db2.gz AAKDWPQQFWTCRK-NRFANRHFSA-N 1 0 463.534 4.116 20 0 JIADRO FC(F)C(F)(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316516791 1066514723 /nfs/dbraw/zinc/51/47/23/1066514723.db2.gz OCWPHTZKRVCZKH-QGZVFWFLSA-N 1 0 475.918 4.190 20 0 JIADRO Fc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001316521441 1066527472 /nfs/dbraw/zinc/52/74/72/1066527472.db2.gz HDXIBHIQDKUTOA-SFHVURJKSA-N 1 0 475.918 4.381 20 0 JIADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001338103342 1066531005 /nfs/dbraw/zinc/53/10/05/1066531005.db2.gz JGNDQZCXHFTEHR-DYESRHJHSA-N 1 0 468.399 4.327 20 0 JIADRO Cc1cc(N[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001338142292 1066533969 /nfs/dbraw/zinc/53/39/69/1066533969.db2.gz UTKSYLNPVKNXGK-IBGZPJMESA-N 1 0 477.634 4.500 20 0 JIADRO Fc1ccc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSCC(F)(F)F)cc1 ZINC001316523970 1066534873 /nfs/dbraw/zinc/53/48/73/1066534873.db2.gz CKKLJHKXHHCCAV-SFHVURJKSA-N 1 0 487.567 4.356 20 0 JIADRO Fc1ccc(C[N@H+]2CCCN(c3nnc(C4CCCC4)n3CCCOCC(F)F)CC2)cc1 ZINC001316525120 1066538245 /nfs/dbraw/zinc/53/82/45/1066538245.db2.gz OTZLZNIYQQITLR-UHFFFAOYSA-N 1 0 465.564 4.459 20 0 JIADRO Fc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001316528118 1066545335 /nfs/dbraw/zinc/54/53/35/1066545335.db2.gz LAMPDXOFFBZSBE-UHFFFAOYSA-N 1 0 482.570 4.425 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)[NH+]2CCCCC2)cc1 ZINC001338312476 1066546703 /nfs/dbraw/zinc/54/67/03/1066546703.db2.gz YLGNISHOOYFUMY-QHCPKHFHSA-N 1 0 488.613 4.389 20 0 JIADRO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001338528445 1066562050 /nfs/dbraw/zinc/56/20/50/1066562050.db2.gz KMTXZBYXOMFCPP-RUZDIDTESA-N 1 0 461.610 4.139 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC001338575915 1066564829 /nfs/dbraw/zinc/56/48/29/1066564829.db2.gz VIASADKNILUYRS-UHFFFAOYSA-N 1 0 480.616 4.291 20 0 JIADRO CCOc1ccccc1Oc1ccc(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC001338572921 1066565023 /nfs/dbraw/zinc/56/50/23/1066565023.db2.gz CUPCNJONXBQDNL-UHFFFAOYSA-N 1 0 475.593 4.024 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(F)(F)F)CC2)c1 ZINC001492535009 1066583236 /nfs/dbraw/zinc/58/32/36/1066583236.db2.gz WZHMKGQXEWSIAT-UHFFFAOYSA-N 1 0 483.336 4.229 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C ZINC001492536224 1066587624 /nfs/dbraw/zinc/58/76/24/1066587624.db2.gz QIHTXIYKBKWWLC-UHFFFAOYSA-N 1 0 475.685 4.326 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492536561 1066587969 /nfs/dbraw/zinc/58/79/69/1066587969.db2.gz BLRQJFIFXRLUKS-BDTNDASRSA-N 1 0 455.647 4.147 20 0 JIADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001492537563 1066593910 /nfs/dbraw/zinc/59/39/10/1066593910.db2.gz BQZIWDDHZJTNIO-UHFFFAOYSA-N 1 0 465.646 4.108 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316589623 1066618819 /nfs/dbraw/zinc/61/88/19/1066618819.db2.gz VYQRXCBVOSFAEJ-MRXNPFEDSA-N 1 0 474.383 4.334 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001492540924 1066637037 /nfs/dbraw/zinc/63/70/37/1066637037.db2.gz BPQWVFQDYGLOJW-QHCPKHFHSA-N 1 0 482.717 4.312 20 0 JIADRO COC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c(Br)c1 ZINC001474667959 1066649354 /nfs/dbraw/zinc/64/93/54/1066649354.db2.gz NTFOWQVAUMZLGQ-CGTJXYLNSA-N 1 0 451.158 4.426 20 0 JIADRO Cc1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317736474 1066656307 /nfs/dbraw/zinc/65/63/07/1066656307.db2.gz CJPYPBHRYONOPP-UHFFFAOYSA-N 1 0 476.042 4.125 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492542624 1066658764 /nfs/dbraw/zinc/65/87/64/1066658764.db2.gz PPLRORAYTZIKDP-FCHUYYIVSA-N 1 0 455.647 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492542625 1066658894 /nfs/dbraw/zinc/65/88/94/1066658894.db2.gz PPLRORAYTZIKDP-FGZHOGPDSA-N 1 0 455.647 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCOC(C)(C)C)c1 ZINC001492543769 1066668858 /nfs/dbraw/zinc/66/88/58/1066668858.db2.gz XAKHFVBSFNXGGN-QFIPXVFZSA-N 1 0 455.647 4.293 20 0 JIADRO CCn1c(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)nnc1-c1ccccc1C ZINC001317764960 1066675356 /nfs/dbraw/zinc/67/53/56/1066675356.db2.gz GWJWVHRYQZFVOS-UHFFFAOYSA-N 1 0 464.639 4.064 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001317801130 1066696772 /nfs/dbraw/zinc/69/67/72/1066696772.db2.gz OJTQCXCZVAGBCX-UHFFFAOYSA-N 1 0 458.360 4.003 20 0 JIADRO COc1ccc2c(c1)c(C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)c(C)n2C1CC1 ZINC001317810423 1066702064 /nfs/dbraw/zinc/70/20/64/1066702064.db2.gz NWTJLQSOJODZEZ-SANMLTNESA-N 1 0 460.622 4.402 20 0 JIADRO CCOC(=O)Nc1ccc2c(CNc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc(=O)oc2c1 ZINC001317814079 1066703862 /nfs/dbraw/zinc/70/38/62/1066703862.db2.gz MVJJOZLJYNEFNG-UHFFFAOYSA-N 1 0 450.539 4.034 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)C2)ccn1 ZINC001347896249 1066705967 /nfs/dbraw/zinc/70/59/67/1066705967.db2.gz UVFBGAFBTWCBFD-OAQYLSRUSA-N 1 0 484.950 4.235 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001492544768 1066709999 /nfs/dbraw/zinc/70/99/99/1066709999.db2.gz XPZPLYMPZXRIJR-LJQANCHMSA-N 1 0 481.563 4.055 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC001348046423 1066715565 /nfs/dbraw/zinc/71/55/65/1066715565.db2.gz DLWCCHBJECEJCY-HSZRJFAPSA-N 1 0 452.599 4.026 20 0 JIADRO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317834600 1066719698 /nfs/dbraw/zinc/71/96/98/1066719698.db2.gz HHRYLIFHLPLZEJ-UHFFFAOYSA-N 1 0 450.589 4.421 20 0 JIADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC001317856758 1066735793 /nfs/dbraw/zinc/73/57/93/1066735793.db2.gz NELUOIHIRDLPNO-UHFFFAOYSA-N 1 0 466.607 4.155 20 0 JIADRO O=C(CC[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC001348435976 1066744399 /nfs/dbraw/zinc/74/43/99/1066744399.db2.gz PYEIOVZCCNDRGG-SANMLTNESA-N 1 0 487.625 4.352 20 0 JIADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001317869953 1066744559 /nfs/dbraw/zinc/74/45/59/1066744559.db2.gz KZHZDESCTBCTIC-UHFFFAOYSA-N 1 0 461.610 4.055 20 0 JIADRO COc1ccc(C(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c2ccc(OC)cc2)cc1 ZINC001317871539 1066745615 /nfs/dbraw/zinc/74/56/15/1066745615.db2.gz PGFRGLSGTPWSHY-UHFFFAOYSA-N 1 0 460.578 4.152 20 0 JIADRO C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001348475487 1066747642 /nfs/dbraw/zinc/74/76/42/1066747642.db2.gz FVORWMIOOQDKOS-LAUBAEHRSA-N 1 0 484.021 4.323 20 0 JIADRO Cc1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317882973 1066752185 /nfs/dbraw/zinc/75/21/85/1066752185.db2.gz ILNXLEALYSLNBQ-UHFFFAOYSA-N 1 0 490.435 4.044 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001317904136 1066773902 /nfs/dbraw/zinc/77/39/02/1066773902.db2.gz JVZYWLIOALOIPE-UXHICEINSA-N 1 0 462.594 4.407 20 0 JIADRO COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC001317967389 1066819594 /nfs/dbraw/zinc/81/95/94/1066819594.db2.gz QZGOGWVZOPMTMQ-QHCPKHFHSA-N 1 0 457.574 4.064 20 0 JIADRO Cc1cc(NC(=O)c2cc(-c3cccc(Br)c3)no2)ccc1N1CC[NH+](C)CC1 ZINC001349215777 1066820816 /nfs/dbraw/zinc/82/08/16/1066820816.db2.gz GXJPUFBOSVLLTM-UHFFFAOYSA-N 1 0 455.356 4.417 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC001349230724 1066822404 /nfs/dbraw/zinc/82/24/04/1066822404.db2.gz XBICOBCCBZSYLZ-SZRHCGQDSA-N 1 0 451.592 4.462 20 0 JIADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC001349249104 1066823970 /nfs/dbraw/zinc/82/39/70/1066823970.db2.gz HOAPZJGMQIUZKY-UNMCSNQZSA-N 1 0 457.571 4.197 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)ccc1Cl ZINC001349271517 1066825430 /nfs/dbraw/zinc/82/54/30/1066825430.db2.gz PLHLLENEIAYCEY-OAQYLSRUSA-N 1 0 452.020 4.392 20 0 JIADRO COc1ccc(Br)cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001317976017 1066827235 /nfs/dbraw/zinc/82/72/35/1066827235.db2.gz ZNFVBUPAPTYRFL-HZPDHXFCSA-N 1 0 462.388 4.389 20 0 JIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC001317982270 1066830361 /nfs/dbraw/zinc/83/03/61/1066830361.db2.gz RQMLBLMXTKRLHD-UZLGTAQGSA-N 1 0 476.631 4.415 20 0 JIADRO CC(C)(CNC(=O)c1nn(-c2ccccc2F)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001317999359 1066841817 /nfs/dbraw/zinc/84/18/17/1066841817.db2.gz UBDOCEZDJLDMRV-UHFFFAOYSA-N 1 0 471.374 4.341 20 0 JIADRO COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001318018309 1066854268 /nfs/dbraw/zinc/85/42/68/1066854268.db2.gz PLMUYOIOQKKSFR-UHFFFAOYSA-N 1 0 466.626 4.210 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318019414 1066855432 /nfs/dbraw/zinc/85/54/32/1066855432.db2.gz JPJHZYXBSKFUJM-IBGZPJMESA-N 1 0 453.612 4.231 20 0 JIADRO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001349593837 1066858893 /nfs/dbraw/zinc/85/88/93/1066858893.db2.gz WIOGHAUZNJNONK-YTFSRNRJSA-N 1 0 459.631 4.374 20 0 JIADRO Cc1noc(-c2ccc(C(=O)Nc3ccc(C[NH+]4CCN(c5ccccn5)CC4)cc3)cc2)n1 ZINC001318050446 1066872297 /nfs/dbraw/zinc/87/22/97/1066872297.db2.gz DEKXKUAEMWYOQU-UHFFFAOYSA-N 1 0 454.534 4.015 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001318057685 1066875923 /nfs/dbraw/zinc/87/59/23/1066875923.db2.gz RKOMCEKIWVYLBI-OAHLLOKOSA-N 1 0 470.422 4.256 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084323 1066891954 /nfs/dbraw/zinc/89/19/54/1066891954.db2.gz XJANOKPPVBCOSW-NKPLSRDGSA-N 1 0 463.622 4.336 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001318140905 1066920124 /nfs/dbraw/zinc/92/01/24/1066920124.db2.gz JCCGGVMVDJAKGC-CQSZACIVSA-N 1 0 450.366 4.413 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001350140232 1066923339 /nfs/dbraw/zinc/92/33/39/1066923339.db2.gz UESOQPVMYAWQPC-ZIAGYGMSSA-N 1 0 450.601 4.002 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC001318146804 1066924545 /nfs/dbraw/zinc/92/45/45/1066924545.db2.gz SIXQKDYCVOCIEQ-UHFFFAOYSA-N 1 0 457.018 4.281 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001318164066 1066932639 /nfs/dbraw/zinc/93/26/39/1066932639.db2.gz GNGMWJLCEOKQDT-FQEVSTJZSA-N 1 0 458.628 4.409 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC001318172791 1066938912 /nfs/dbraw/zinc/93/89/12/1066938912.db2.gz BUMPYPZKFLUIHA-FQEVSTJZSA-N 1 0 469.651 4.268 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)ccc1OC ZINC001318178056 1066941341 /nfs/dbraw/zinc/94/13/41/1066941341.db2.gz ICXZFCDCDXXULD-RUZDIDTESA-N 1 0 480.609 4.396 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccsc1 ZINC001318185189 1066945635 /nfs/dbraw/zinc/94/56/35/1066945635.db2.gz XRJFBUSNCWPLDI-IBGZPJMESA-N 1 0 452.605 4.297 20 0 JIADRO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1I ZINC001350415343 1066955736 /nfs/dbraw/zinc/95/57/36/1066955736.db2.gz VOZRIMFYPBQUGI-UHFFFAOYSA-N 1 0 456.368 4.218 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001318219425 1066967419 /nfs/dbraw/zinc/96/74/19/1066967419.db2.gz YPHFVBSZZDFRKM-RUZDIDTESA-N 1 0 464.610 4.065 20 0 JIADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001318220650 1066967971 /nfs/dbraw/zinc/96/79/71/1066967971.db2.gz DNQHOMSVVUJJGM-DEOSSOPVSA-N 1 0 462.981 4.110 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOc3cc(Cl)ccc3Cl)cc2)C1 ZINC001318236085 1066976445 /nfs/dbraw/zinc/97/64/45/1066976445.db2.gz BIUFZMJJMYOFDR-INIZCTEOSA-N 1 0 450.366 4.098 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ncccc2C)c1 ZINC001492548120 1066985464 /nfs/dbraw/zinc/98/54/64/1066985464.db2.gz SKULYPWFIOOFOP-UHFFFAOYSA-N 1 0 462.642 4.475 20 0 JIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318259041 1066987885 /nfs/dbraw/zinc/98/78/85/1066987885.db2.gz APFBNGWYHBXHLS-UHFFFAOYSA-N 1 0 457.622 4.049 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC(F)F)c(Br)c3)cc2)CC1 ZINC001350699519 1066989800 /nfs/dbraw/zinc/98/98/00/1066989800.db2.gz HKMCTJBBZKIVAK-UHFFFAOYSA-N 1 0 454.315 4.445 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc(CNC(C)=O)s1)C(=S)NCCc1cccs1 ZINC001318268379 1066993103 /nfs/dbraw/zinc/99/31/03/1066993103.db2.gz GKELPWKKFXWYRI-UHFFFAOYSA-O 1 0 472.681 4.339 20 0 JIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)CC2)cc1 ZINC001318272893 1066995810 /nfs/dbraw/zinc/99/58/10/1066995810.db2.gz ZINZGRRFNLYSMH-UHFFFAOYSA-N 1 0 476.665 4.441 20 0 JIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318286518 1067002810 /nfs/dbraw/zinc/00/28/10/1067002810.db2.gz LCWFEUDVSGKQKA-UHFFFAOYSA-N 1 0 450.608 4.266 20 0 JIADRO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)nn1-c1c(Cl)cccc1Cl ZINC001318290552 1067004674 /nfs/dbraw/zinc/00/46/74/1067004674.db2.gz QCCDNPBRGVBLOK-UHFFFAOYSA-N 1 0 459.381 4.195 20 0 JIADRO C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001318303403 1067008083 /nfs/dbraw/zinc/00/80/83/1067008083.db2.gz BLTJBUOEIRSSOM-VXKWHMMOSA-N 1 0 477.653 4.371 20 0 JIADRO C[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318311222 1067011577 /nfs/dbraw/zinc/01/15/77/1067011577.db2.gz OAXGIIAVLNLKAV-SFHVURJKSA-N 1 0 465.573 4.369 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)NCC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001200739349 1067018432 /nfs/dbraw/zinc/01/84/32/1067018432.db2.gz ORFGMQQMMRDHIG-UHFFFAOYSA-N 1 0 476.440 4.054 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@](C)(O)CCC(C)C ZINC001300683725 1067021325 /nfs/dbraw/zinc/02/13/25/1067021325.db2.gz NFIVBLTVZPTBSS-HFZDXXHNSA-N 1 0 487.714 4.441 20 0 JIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001318346171 1067025901 /nfs/dbraw/zinc/02/59/01/1067025901.db2.gz BWVLNWVDFCOVSC-LJAQVGFWSA-N 1 0 479.584 4.251 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 ZINC001318347490 1067027066 /nfs/dbraw/zinc/02/70/66/1067027066.db2.gz HGPVDVILINKCKU-NRFANRHFSA-N 1 0 468.617 4.074 20 0 JIADRO COc1ccccc1SCc1nnc(Nc2cnn(C)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001300685876 1067027575 /nfs/dbraw/zinc/02/75/75/1067027575.db2.gz QRBVOAGRZSSJNF-UHFFFAOYSA-N 1 0 455.632 4.178 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)CC1 ZINC001318361898 1067030919 /nfs/dbraw/zinc/03/09/19/1067030919.db2.gz CPHURMVOJRKRRA-UHFFFAOYSA-N 1 0 459.432 4.460 20 0 JIADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]Cc3ccc(OCc4ccc(Cl)cc4)cc3)ccc2N1 ZINC001318367963 1067033102 /nfs/dbraw/zinc/03/31/02/1067033102.db2.gz OTXZOUULDAYVJA-QFIPXVFZSA-N 1 0 466.965 4.333 20 0 JIADRO CC(=O)N[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC001318478747 1067047894 /nfs/dbraw/zinc/04/78/94/1067047894.db2.gz OBHFADJGYNJNKJ-QHCPKHFHSA-N 1 0 472.427 4.059 20 0 JIADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1=O ZINC001351168841 1067055026 /nfs/dbraw/zinc/05/50/26/1067055026.db2.gz IXGMDEVNWVBCFH-LJQANCHMSA-N 1 0 455.986 4.369 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)CCCC2)CC1 ZINC001318598656 1067055554 /nfs/dbraw/zinc/05/55/54/1067055554.db2.gz OEPBEHJIEVHPEE-XMMPIXPASA-N 1 0 465.642 4.032 20 0 JIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001318629411 1067057235 /nfs/dbraw/zinc/05/72/35/1067057235.db2.gz CYVKWFFLQCGKJK-GDLZYMKVSA-N 1 0 479.584 4.446 20 0 JIADRO CCOc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001319025530 1067064516 /nfs/dbraw/zinc/06/45/16/1067064516.db2.gz LZWDECMMSZNUNX-PMACEKPBSA-N 1 0 455.599 4.045 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001354733425 1067067860 /nfs/dbraw/zinc/06/78/60/1067067860.db2.gz YDSGGZJEURPWPQ-GUSDDNLUSA-N 1 0 457.977 4.025 20 0 JIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001319116169 1067068221 /nfs/dbraw/zinc/06/82/21/1067068221.db2.gz ZFGVEHAFUHUTQQ-PMACEKPBSA-N 1 0 472.589 4.447 20 0 JIADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001354752608 1067076463 /nfs/dbraw/zinc/07/64/63/1067076463.db2.gz WIUCZKYDQFVURA-OZXSUGGESA-N 1 0 451.567 4.037 20 0 JIADRO CCCCN(C(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001351322621 1067076777 /nfs/dbraw/zinc/07/67/77/1067076777.db2.gz XKQLMYWTKCUWQP-JOCHJYFZSA-N 1 0 456.631 4.122 20 0 JIADRO Cc1cccc(C)c1CCn1c(CC(C)C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001492486458 1067078167 /nfs/dbraw/zinc/07/81/67/1067078167.db2.gz NDYSPKBDFVUYRL-UHFFFAOYSA-N 1 0 463.674 4.133 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)Cc1ccccc1 ZINC001319939924 1067082209 /nfs/dbraw/zinc/08/22/09/1067082209.db2.gz JMHVJPWEAUITFK-OAQYLSRUSA-N 1 0 460.603 4.106 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)Cc1ccccc1 ZINC001319939920 1067082227 /nfs/dbraw/zinc/08/22/27/1067082227.db2.gz JMHVJPWEAUITFK-NRFANRHFSA-N 1 0 460.603 4.106 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492487424 1067085705 /nfs/dbraw/zinc/08/57/05/1067085705.db2.gz STORSOPCSUOEOZ-QFIPXVFZSA-N 1 0 482.673 4.333 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001321425146 1067122092 /nfs/dbraw/zinc/12/20/92/1067122092.db2.gz HXPUDZBNSQHMHR-XMMPIXPASA-N 1 0 464.635 4.258 20 0 JIADRO COCC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001351632061 1067152133 /nfs/dbraw/zinc/15/21/33/1067152133.db2.gz WNABDEQITVQMHK-LEAFIULHSA-N 1 0 457.574 4.300 20 0 JIADRO C[NH+]1CCC(CCNC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200796675 1067157072 /nfs/dbraw/zinc/15/70/72/1067157072.db2.gz JYQUDKZSLJMLPE-UHFFFAOYSA-N 1 0 453.219 4.369 20 0 JIADRO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001321530105 1067157795 /nfs/dbraw/zinc/15/77/95/1067157795.db2.gz CTMIMBHEYAHBLI-LJQANCHMSA-N 1 0 450.608 4.151 20 0 JIADRO CCOc1ccc([C@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC001321564331 1067167212 /nfs/dbraw/zinc/16/72/12/1067167212.db2.gz ULTAWYHBXQOALX-HHHXNRCGSA-N 1 0 458.606 4.426 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC001321643639 1067188347 /nfs/dbraw/zinc/18/83/47/1067188347.db2.gz PLVOOJIPODMYLO-UHFFFAOYSA-N 1 0 468.627 4.291 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001300734781 1067188245 /nfs/dbraw/zinc/18/82/45/1067188245.db2.gz FAOPZWKLDANLKC-UHFFFAOYSA-N 1 0 459.610 4.122 20 0 JIADRO CC[NH+](CC)C[C@H]1CN(C(=S)Nc2c(F)cc(Br)cc2Br)CCO1 ZINC001200801429 1067202042 /nfs/dbraw/zinc/20/20/42/1067202042.db2.gz JPXCWXQGSPCJNZ-LBPRGKRZSA-N 1 0 483.245 4.090 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001351780065 1067204249 /nfs/dbraw/zinc/20/42/49/1067204249.db2.gz IYOKRBDREYIHBG-RTBURBONSA-N 1 0 457.590 4.041 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC001351781195 1067204364 /nfs/dbraw/zinc/20/43/64/1067204364.db2.gz PITFDCAHZSCPKZ-GOSISDBHSA-N 1 0 457.590 4.140 20 0 JIADRO Cc1cc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1 ZINC001351841340 1067220679 /nfs/dbraw/zinc/22/06/79/1067220679.db2.gz FMTZXZQDDQQASV-UHFFFAOYSA-N 1 0 450.461 4.110 20 0 JIADRO CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001322051074 1067242869 /nfs/dbraw/zinc/24/28/69/1067242869.db2.gz AOQZILJXJARMCW-HNNXBMFYSA-N 1 0 469.607 4.173 20 0 JIADRO CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC001322202739 1067262374 /nfs/dbraw/zinc/26/23/74/1067262374.db2.gz WIRILPSNOMHMPA-INIZCTEOSA-N 1 0 477.652 4.380 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1Cl ZINC001322293348 1067271366 /nfs/dbraw/zinc/27/13/66/1067271366.db2.gz PUQXYUNKDPLKTQ-NZQKXSOJSA-N 1 0 457.018 4.327 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3C)CC2)cc1 ZINC001322309234 1067274502 /nfs/dbraw/zinc/27/45/02/1067274502.db2.gz WNMHOQVPJOHITL-UHFFFAOYSA-N 1 0 487.442 4.312 20 0 JIADRO CCc1cc(OCC(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)ccc1Cl ZINC001322451614 1067295542 /nfs/dbraw/zinc/29/55/42/1067295542.db2.gz GHTFJZBVQGNKKK-UHFFFAOYSA-N 1 0 460.018 4.425 20 0 JIADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c12 ZINC001322469911 1067298239 /nfs/dbraw/zinc/29/82/39/1067298239.db2.gz XNGVCRHMAFGJEL-UHFFFAOYSA-N 1 0 460.626 4.054 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(Br)cc2I)CC1 ZINC001322590825 1067304688 /nfs/dbraw/zinc/30/46/88/1067304688.db2.gz MNBQOFBDTVTJAN-UHFFFAOYSA-N 1 0 465.173 4.000 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001322768504 1067308610 /nfs/dbraw/zinc/30/86/10/1067308610.db2.gz HKFFRIVQASYOTO-IYBDPMFKSA-N 1 0 477.399 4.006 20 0 JIADRO Cc1c(Br)cnn1CC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001354966032 1067308740 /nfs/dbraw/zinc/30/87/40/1067308740.db2.gz FNHCKSQDAFRGLC-UHFFFAOYSA-N 1 0 455.400 4.163 20 0 JIADRO C[C@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352201832 1067309177 /nfs/dbraw/zinc/30/91/77/1067309177.db2.gz FKZDIDSBIGSPQP-INIZCTEOSA-N 1 0 453.949 4.179 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)CC2)cc1 ZINC001322874669 1067310534 /nfs/dbraw/zinc/31/05/34/1067310534.db2.gz QNOIFKNMIZYVPA-QFIPXVFZSA-N 1 0 484.666 4.155 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c1 ZINC001352213433 1067311720 /nfs/dbraw/zinc/31/17/20/1067311720.db2.gz UBBDQZUFWVIQBY-UHFFFAOYSA-N 1 0 459.472 4.420 20 0 JIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCO[C@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001323360849 1067318658 /nfs/dbraw/zinc/31/86/58/1067318658.db2.gz JKHPUUSGELIGNJ-IBGZPJMESA-N 1 0 450.004 4.158 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492580073 1067319867 /nfs/dbraw/zinc/31/98/67/1067319867.db2.gz VYUYPDOKILJATQ-GGAORHGYSA-N 1 0 496.700 4.401 20 0 JIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001352268593 1067321727 /nfs/dbraw/zinc/32/17/27/1067321727.db2.gz AXULZRCWWVZUSQ-UHFFFAOYSA-N 1 0 459.472 4.296 20 0 JIADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001352268270 1067321944 /nfs/dbraw/zinc/32/19/44/1067321944.db2.gz ORZIIOHHJKEALT-INIZCTEOSA-N 1 0 456.178 4.300 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2CCC[NH+]2CCCCC2)n1 ZINC001492495311 1067323484 /nfs/dbraw/zinc/32/34/84/1067323484.db2.gz UYIDQKNVBHNRDK-OAQYLSRUSA-N 1 0 496.681 4.125 20 0 JIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001323634897 1067324438 /nfs/dbraw/zinc/32/44/38/1067324438.db2.gz FSWGOBBOYSJXJK-DEOSSOPVSA-N 1 0 495.023 4.195 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)[NH+]2CCCCC2)cc1 ZINC001352317191 1067330510 /nfs/dbraw/zinc/33/05/10/1067330510.db2.gz KSLRPYWEPNXJGK-JOCHJYFZSA-N 1 0 454.571 4.394 20 0 JIADRO Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC001355006029 1067333187 /nfs/dbraw/zinc/33/31/87/1067333187.db2.gz PLIQFQGSTKSVBF-DEOSSOPVSA-N 1 0 459.594 4.267 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300000524 1067336884 /nfs/dbraw/zinc/33/68/84/1067336884.db2.gz HBYJZMXEAJDLBC-WINIVTDRSA-N 1 0 495.672 4.151 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497581 1067338859 /nfs/dbraw/zinc/33/88/59/1067338859.db2.gz BHLPDGPAHQZARD-NQIIRXRSSA-N 1 0 453.660 4.465 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCC[NH+]2CCCCC2)n1 ZINC001492497809 1067339821 /nfs/dbraw/zinc/33/98/21/1067339821.db2.gz JEIRFUDDXHZSKK-UHFFFAOYSA-N 1 0 482.032 4.253 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCSC[C@H]2C)CC1 ZINC001300782892 1067340395 /nfs/dbraw/zinc/34/03/95/1067340395.db2.gz SRJCHTJQODNYKX-MOPGFXCFSA-N 1 0 491.677 4.388 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001492498134 1067340855 /nfs/dbraw/zinc/34/08/55/1067340855.db2.gz SLQJXNBKXIKXBI-FQEVSTJZSA-N 1 0 489.668 4.462 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300002231 1067342826 /nfs/dbraw/zinc/34/28/26/1067342826.db2.gz LXFNRVFOUGCNBF-IBGZPJMESA-N 1 0 485.654 4.161 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001300003066 1067345715 /nfs/dbraw/zinc/34/57/15/1067345715.db2.gz ZBCGREUBGUDAMJ-OALUTQOASA-N 1 0 483.613 4.080 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c(OC)c1 ZINC001300003042 1067345811 /nfs/dbraw/zinc/34/58/11/1067345811.db2.gz YBUSZWYRJWLFAF-QHCPKHFHSA-N 1 0 499.681 4.325 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001300785202 1067346249 /nfs/dbraw/zinc/34/62/49/1067346249.db2.gz IUMFYLLRHFEMNP-IRLDBZIGSA-N 1 0 454.663 4.168 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(OC)nc1Cl)C(C)(C)[NH2+]C(C)(C)C2 ZINC001352354907 1067349575 /nfs/dbraw/zinc/34/95/75/1067349575.db2.gz JRHKZLIYFZSPMH-UHFFFAOYSA-N 1 0 451.976 4.394 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001300787086 1067350186 /nfs/dbraw/zinc/35/01/86/1067350186.db2.gz UJANQKBJJGCBKZ-SFHVURJKSA-N 1 0 478.106 4.353 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)s2)CC1 ZINC001300787339 1067350630 /nfs/dbraw/zinc/35/06/30/1067350630.db2.gz SOOSFKLPQVYLQF-UHFFFAOYSA-N 1 0 494.463 4.136 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001300787403 1067351072 /nfs/dbraw/zinc/35/10/72/1067351072.db2.gz VJIGXRBPHHJSDT-MUUNZHRXSA-N 1 0 483.701 4.462 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001300787588 1067352075 /nfs/dbraw/zinc/35/20/75/1067352075.db2.gz XMYBPLQPCODFLT-UHFFFAOYSA-N 1 0 486.661 4.299 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001300787759 1067352502 /nfs/dbraw/zinc/35/25/02/1067352502.db2.gz YSBMUNAOXWLKDU-QHCPKHFHSA-N 1 0 490.092 4.273 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492554098 1067353630 /nfs/dbraw/zinc/35/36/30/1067353630.db2.gz RRPXLPZBHKNNPI-FGZHOGPDSA-N 1 0 452.647 4.284 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC[NH+]2CCCC2)cc1Br ZINC001300006552 1067355719 /nfs/dbraw/zinc/35/57/19/1067355719.db2.gz MZPUZIHPLVOQCT-UHFFFAOYSA-N 1 0 480.426 4.386 20 0 JIADRO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC001200851978 1067357185 /nfs/dbraw/zinc/35/71/85/1067357185.db2.gz RFUUNFPCNPHGFQ-RBUKOAKNSA-N 1 0 450.649 4.024 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001300792763 1067363486 /nfs/dbraw/zinc/36/34/86/1067363486.db2.gz ZPJYXAVHIWUDKY-JCTONOIOSA-N 1 0 482.673 4.273 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2CC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC001300011199 1067364417 /nfs/dbraw/zinc/36/44/17/1067364417.db2.gz CQPJYRYWIHMGJP-UHFFFAOYSA-N 1 0 487.592 4.178 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2CC2CC[NH+](C3CC3)CC2)cc1OC ZINC001300011946 1067365315 /nfs/dbraw/zinc/36/53/15/1067365315.db2.gz ORDZRZYRXLAVDT-UHFFFAOYSA-N 1 0 467.536 4.225 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001492555374 1067365921 /nfs/dbraw/zinc/36/59/21/1067365921.db2.gz KGPKAFTWLXUWAW-UNMCSNQZSA-N 1 0 466.674 4.417 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OC ZINC001352383763 1067366945 /nfs/dbraw/zinc/36/69/45/1067366945.db2.gz VWJTXNKEUYVRLG-HXUWFJFHSA-N 1 0 453.583 4.024 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001492554933 1067372870 /nfs/dbraw/zinc/37/28/70/1067372870.db2.gz ZHDZPXKAOPFWLY-OPAMFIHVSA-N 1 0 490.471 4.342 20 0 JIADRO COc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001300016789 1067377150 /nfs/dbraw/zinc/37/71/50/1067377150.db2.gz FXOKMLZNXKZMSO-OAQYLSRUSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001300018974 1067382077 /nfs/dbraw/zinc/38/20/77/1067382077.db2.gz LVGQBPFVDQYWLJ-UHFFFAOYSA-N 1 0 459.635 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300021819 1067386592 /nfs/dbraw/zinc/38/65/92/1067386592.db2.gz KVCFBPZKQLXOML-NZQKXSOJSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300022964 1067390878 /nfs/dbraw/zinc/39/08/78/1067390878.db2.gz AGXJEHZNZJJIIW-YKSBVNFPSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300022961 1067390967 /nfs/dbraw/zinc/39/09/67/1067390967.db2.gz AGXJEHZNZJJIIW-GBXCKJPGSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027367 1067401957 /nfs/dbraw/zinc/40/19/57/1067401957.db2.gz MPNLIBBSRAXDCQ-RBUKOAKNSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001300027864 1067403717 /nfs/dbraw/zinc/40/37/17/1067403717.db2.gz WJDOJALFSQKIAZ-FUHWJXTLSA-N 1 0 492.462 4.204 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300028718 1067408024 /nfs/dbraw/zinc/40/80/24/1067408024.db2.gz BFGSBFCELPMNJO-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001300032998 1067429375 /nfs/dbraw/zinc/42/93/75/1067429375.db2.gz KHRVBPRIFPAVNN-IAGOWNOFSA-N 1 0 494.503 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032952 1067429678 /nfs/dbraw/zinc/42/96/78/1067429678.db2.gz JTFAOLCINITDJL-IFMALSPDSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001300033480 1067431814 /nfs/dbraw/zinc/43/18/14/1067431814.db2.gz OBWAWRBVQQFWOP-FQEVSTJZSA-N 1 0 460.420 4.173 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300033694 1067433551 /nfs/dbraw/zinc/43/35/51/1067433551.db2.gz QGDHECXALNRSLR-UHFFFAOYSA-N 1 0 462.436 4.421 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300033761 1067434007 /nfs/dbraw/zinc/43/40/07/1067434007.db2.gz RJPXVDKMYLWVTB-XJABCFGWSA-N 1 0 485.654 4.188 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001300038586 1067451501 /nfs/dbraw/zinc/45/15/01/1067451501.db2.gz RBVSEIRVJLUANO-OAQYLSRUSA-N 1 0 485.673 4.070 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)Br)cc1 ZINC001300040072 1067458594 /nfs/dbraw/zinc/45/85/94/1067458594.db2.gz CXBSRRGIIFLQBW-INIZCTEOSA-N 1 0 484.389 4.254 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300040135 1067460092 /nfs/dbraw/zinc/46/00/92/1067460092.db2.gz FWANAEDOUSGSDE-NRFANRHFSA-N 1 0 499.700 4.462 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC001355427349 1067462150 /nfs/dbraw/zinc/46/21/50/1067462150.db2.gz VLCKSGYUHCLVQG-VWNXMTODSA-N 1 0 455.002 4.029 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cnn(CC(C)C)c2C)cc1OC ZINC001300044422 1067488969 /nfs/dbraw/zinc/48/89/69/1067488969.db2.gz PTJUWLIKGIXCMA-UHFFFAOYSA-N 1 0 495.672 4.138 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300044944 1067491297 /nfs/dbraw/zinc/49/12/97/1067491297.db2.gz YXSVHXWIKKPFRK-JOCHJYFZSA-N 1 0 496.700 4.207 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300050248 1067508795 /nfs/dbraw/zinc/50/87/95/1067508795.db2.gz NSIILBDNCTYHQQ-ZWKOTPCHSA-N 1 0 475.540 4.340 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001300051296 1067514791 /nfs/dbraw/zinc/51/47/91/1067514791.db2.gz GGJATXJYRVREHX-UHFFFAOYSA-N 1 0 473.687 4.416 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052905 1067524720 /nfs/dbraw/zinc/52/47/20/1067524720.db2.gz FLSZLFMCWBWJHI-SFTDATJTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054094 1067530261 /nfs/dbraw/zinc/53/02/61/1067530261.db2.gz OZQJZUZOJRGKBU-YADHBBJMSA-N 1 0 495.672 4.056 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054093 1067530374 /nfs/dbraw/zinc/53/03/74/1067530374.db2.gz OZQJZUZOJRGKBU-VXKWHMMOSA-N 1 0 495.672 4.056 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCN(C)CC(F)(F)F ZINC001492582712 1067530636 /nfs/dbraw/zinc/53/06/36/1067530636.db2.gz QLEZWLLBKXORRK-QFIPXVFZSA-N 1 0 478.607 4.126 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CC(C)(C)OC)cc1OC ZINC001300054274 1067531426 /nfs/dbraw/zinc/53/14/26/1067531426.db2.gz RZDOJNPHTWILDR-NRFANRHFSA-N 1 0 485.673 4.480 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300058063 1067548448 /nfs/dbraw/zinc/54/84/48/1067548448.db2.gz ZRBLHTMWJYDDTO-QFIPXVFZSA-N 1 0 498.672 4.323 20 0 JIADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001355686733 1067550571 /nfs/dbraw/zinc/55/05/71/1067550571.db2.gz KFKDIQXXUYLYKS-UHFFFAOYSA-N 1 0 450.970 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300058633 1067551065 /nfs/dbraw/zinc/55/10/65/1067551065.db2.gz FOJNKMNAVVHZGB-JTAQYXEDSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300059174 1067554746 /nfs/dbraw/zinc/55/47/46/1067554746.db2.gz KCYVJIHWDDUVGN-FPOVZHCZSA-N 1 0 473.687 4.416 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492583788 1067565111 /nfs/dbraw/zinc/56/51/11/1067565111.db2.gz UXOFKEIRMKIOIN-VWLOTQADSA-N 1 0 483.701 4.320 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC001300063035 1067571409 /nfs/dbraw/zinc/57/14/09/1067571409.db2.gz MWHIICFMMNLTIP-KYTVRQNUSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2sccc2C)c(OC)c1 ZINC001300066473 1067580570 /nfs/dbraw/zinc/58/05/70/1067580570.db2.gz CHJWDNSYSZMMEP-UHFFFAOYSA-N 1 0 469.655 4.495 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001300070322 1067590565 /nfs/dbraw/zinc/59/05/65/1067590565.db2.gz DHSXDUGZONZRID-HXUWFJFHSA-N 1 0 498.672 4.131 20 0 JIADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC001355867960 1067595205 /nfs/dbraw/zinc/59/52/05/1067595205.db2.gz KVWRRTSNVOGLDU-SUMWQHHRSA-N 1 0 450.402 4.138 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2cccc(C)n2)c(OC)c1 ZINC001300073949 1067597157 /nfs/dbraw/zinc/59/71/57/1067597157.db2.gz AYHJOWQRGNQIKL-UHFFFAOYSA-N 1 0 492.668 4.467 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)c(OC)c1 ZINC001300074415 1067598343 /nfs/dbraw/zinc/59/83/43/1067598343.db2.gz FUPZPFOKQHRCCP-PXDATVDWSA-N 1 0 485.673 4.192 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 ZINC001355897422 1067600992 /nfs/dbraw/zinc/60/09/92/1067600992.db2.gz PKSMLEUYLAZUED-IHLLOCCUSA-N 1 0 451.615 4.121 20 0 JIADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)C2=O ZINC001355898117 1067601693 /nfs/dbraw/zinc/60/16/93/1067601693.db2.gz QZLSKHFLJFKKLS-MVYHEMRASA-N 1 0 454.615 4.136 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCOC(C)(C)C)cc1OC ZINC001300075920 1067602457 /nfs/dbraw/zinc/60/24/57/1067602457.db2.gz JXKMFHJMDDPJKP-UHFFFAOYSA-N 1 0 473.662 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C[C@H](C)SC)cc1Br ZINC001300075702 1067602552 /nfs/dbraw/zinc/60/25/52/1067602552.db2.gz IMPOUJOOTZZGLL-RDJZCZTQSA-N 1 0 480.476 4.142 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300076234 1067603510 /nfs/dbraw/zinc/60/35/10/1067603510.db2.gz SJVXGZWYLAXXLR-SFTDATJTSA-N 1 0 490.643 4.099 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300076924 1067605655 /nfs/dbraw/zinc/60/56/55/1067605655.db2.gz JJAOGMNLVLUIMJ-RDPSFJRHSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c(OC)c1 ZINC001300078678 1067612736 /nfs/dbraw/zinc/61/27/36/1067612736.db2.gz KHDVOCZBGGXSAC-NIYFSFCBSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300082756 1067621050 /nfs/dbraw/zinc/62/10/50/1067621050.db2.gz FRJJWSJZMVPCDT-XZOQPEGZSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCOCC4(CCC4)C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300084500 1067624997 /nfs/dbraw/zinc/62/49/97/1067624997.db2.gz ZYWACWSWDQUQCT-UHFFFAOYSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300085252 1067626589 /nfs/dbraw/zinc/62/65/89/1067626589.db2.gz QAXHPIPIVVXGMD-XXBNENTESA-N 1 0 473.687 4.272 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001300087901 1067634500 /nfs/dbraw/zinc/63/45/00/1067634500.db2.gz KCBQRMKRPWLXPL-DLBZAZTESA-N 1 0 494.503 4.390 20 0 JIADRO Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC001200108330 1067639895 /nfs/dbraw/zinc/63/98/95/1067639895.db2.gz XBLSGEHJCYKWCK-NRFANRHFSA-N 1 0 450.583 4.179 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300089369 1067641220 /nfs/dbraw/zinc/64/12/20/1067641220.db2.gz QXEZBUHZFVSZNY-FHHVHTCRSA-N 1 0 459.610 4.267 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300090920 1067647789 /nfs/dbraw/zinc/64/77/89/1067647789.db2.gz ZYKOJDBMYFZQHX-GGPKGHCWSA-N 1 0 461.676 4.269 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C3CCCCC3)C2)cc1 ZINC001300096516 1067660618 /nfs/dbraw/zinc/66/06/18/1067660618.db2.gz KIELNUYMTILFDK-JOCHJYFZSA-N 1 0 482.673 4.073 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300097398 1067664008 /nfs/dbraw/zinc/66/40/08/1067664008.db2.gz BIVKRXJMCSWIQK-FCHUYYIVSA-N 1 0 457.619 4.219 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300100907 1067676278 /nfs/dbraw/zinc/67/62/78/1067676278.db2.gz YPHKXBXAPIZSPO-XJUOHMSHSA-N 1 0 469.674 4.369 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300100904 1067676415 /nfs/dbraw/zinc/67/64/15/1067676415.db2.gz YPHKXBXAPIZSPO-FUPPJEDESA-N 1 0 469.674 4.369 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001300102678 1067679855 /nfs/dbraw/zinc/67/98/55/1067679855.db2.gz IQPOPCAKXGIQKM-LJQANCHMSA-N 1 0 499.059 4.420 20 0 JIADRO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001356192411 1067687019 /nfs/dbraw/zinc/68/70/19/1067687019.db2.gz KMRZDCQWXJXKDN-UHFFFAOYSA-N 1 0 452.546 4.291 20 0 JIADRO C[C@H](c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1)N1CCOCC1 ZINC001200123111 1067687118 /nfs/dbraw/zinc/68/71/18/1067687118.db2.gz XWDYHHRXIDAEAV-YPAWHYETSA-N 1 0 450.627 4.358 20 0 JIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001356325913 1067724424 /nfs/dbraw/zinc/72/44/24/1067724424.db2.gz ANXVRIKRXWUOCC-RUZDIDTESA-N 1 0 457.618 4.325 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(-c3cncnc3)cc2F)CC1 ZINC001356338047 1067728424 /nfs/dbraw/zinc/72/84/24/1067728424.db2.gz HXFFBKFNWJWOGY-KRWDZBQOSA-N 1 0 451.521 4.055 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC001356352378 1067733223 /nfs/dbraw/zinc/73/32/23/1067733223.db2.gz MCJUJFOGCWEULS-HXUWFJFHSA-N 1 0 453.606 4.090 20 0 JIADRO C[C@@H]1CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356354777 1067734416 /nfs/dbraw/zinc/73/44/16/1067734416.db2.gz KWDNOFBZJWFJIR-ZFGGDYGUSA-N 1 0 451.611 4.416 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119941 1067734932 /nfs/dbraw/zinc/73/49/32/1067734932.db2.gz BUXMLOZEYHZWKT-UPVQGACJSA-N 1 0 483.701 4.324 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300120032 1067735576 /nfs/dbraw/zinc/73/55/76/1067735576.db2.gz DIPBKUBRIFMPBV-YIXXDRMTSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccc(CCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300120111 1067735804 /nfs/dbraw/zinc/73/58/04/1067735804.db2.gz NDJUHQGPZYFRSA-UHFFFAOYSA-N 1 0 483.060 4.271 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300120487 1067737172 /nfs/dbraw/zinc/73/71/72/1067737172.db2.gz QWARSKFETSYFEY-BKMJKUGQSA-N 1 0 469.674 4.100 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC(F)(F)F)cc1 ZINC001300121325 1067739317 /nfs/dbraw/zinc/73/93/17/1067739317.db2.gz YHGVEZGFGPWOIY-UHFFFAOYSA-N 1 0 451.537 4.089 20 0 JIADRO COc1ccccc1COC1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC001356379324 1067740318 /nfs/dbraw/zinc/74/03/18/1067740318.db2.gz ZDJWEOZINLUHGR-UHFFFAOYSA-N 1 0 451.611 4.047 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300125023 1067749066 /nfs/dbraw/zinc/74/90/66/1067749066.db2.gz BTOJOHDGJDJSIW-WIOPSUGQSA-N 1 0 483.701 4.445 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Br)c1 ZINC001200146570 1067754331 /nfs/dbraw/zinc/75/43/31/1067754331.db2.gz BRDJJDQBTNVBKD-WIYYLYMNSA-N 1 0 475.456 4.072 20 0 JIADRO Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC001356451698 1067755309 /nfs/dbraw/zinc/75/53/09/1067755309.db2.gz NLDAXUCMBZBCFG-CQSZACIVSA-N 1 0 456.896 4.377 20 0 JIADRO COc1ccc(CCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300126901 1067755954 /nfs/dbraw/zinc/75/59/54/1067755954.db2.gz WJUUOORLAGTRNZ-FGZHOGPDSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2ccncc2)cc1 ZINC001300127128 1067757381 /nfs/dbraw/zinc/75/73/81/1067757381.db2.gz LIQNQABWGJXOQZ-UHFFFAOYSA-N 1 0 476.669 4.268 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300127917 1067760048 /nfs/dbraw/zinc/76/00/48/1067760048.db2.gz DAPKLWAZPMZJGK-CWBXHPNXSA-N 1 0 469.674 4.054 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 ZINC001352842657 1067761520 /nfs/dbraw/zinc/76/15/20/1067761520.db2.gz PFFNMCWDPFCEKI-UHFFFAOYSA-N 1 0 452.580 4.143 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300129074 1067763169 /nfs/dbraw/zinc/76/31/69/1067763169.db2.gz YTJLXTYSQXYYDF-OAQYLSRUSA-N 1 0 469.655 4.300 20 0 JIADRO Cc1cc([C@H](CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001356508492 1067767791 /nfs/dbraw/zinc/76/77/91/1067767791.db2.gz ZMWOPFUQQQFSSE-LNLFQRSKSA-N 1 0 453.027 4.378 20 0 JIADRO Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001352861490 1067771989 /nfs/dbraw/zinc/77/19/89/1067771989.db2.gz IORXCPVLYBWRCM-UHFFFAOYSA-N 1 0 459.363 4.286 20 0 JIADRO COc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC001352872478 1067778456 /nfs/dbraw/zinc/77/84/56/1067778456.db2.gz UJVKUZYZWYDODU-QGZVFWFLSA-N 1 0 452.517 4.492 20 0 JIADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000849055711 1067786499 /nfs/dbraw/zinc/78/64/99/1067786499.db2.gz AUDMRSXPOLMEAH-AWEZNQCLSA-N 1 0 457.427 4.196 20 0 JIADRO C[C@@H]1CN([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2c(F)cccc2Cl)CCO1 ZINC000849058165 1067789333 /nfs/dbraw/zinc/78/93/33/1067789333.db2.gz RGVWIVQOIYVKQW-BEFAXECRSA-N 1 0 462.953 4.039 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1F ZINC001300149763 1067805114 /nfs/dbraw/zinc/80/51/14/1067805114.db2.gz PTARKZCZLZREKI-HFZDXXHNSA-N 1 0 497.663 4.120 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)cc1OC ZINC001357114638 1067805975 /nfs/dbraw/zinc/80/59/75/1067805975.db2.gz AJJGEGVKJPZWBT-UHFFFAOYSA-N 1 0 453.917 4.151 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)s1 ZINC001200173234 1067807160 /nfs/dbraw/zinc/80/71/60/1067807160.db2.gz QNRJPARWXXGZSX-UHFFFAOYSA-N 1 0 450.548 4.138 20 0 JIADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CCc3ccccc3NC(=O)OC(C)(C)C)nc2)C1 ZINC001357143809 1067810004 /nfs/dbraw/zinc/81/00/04/1067810004.db2.gz BDVPNHQHLZRICV-HXUWFJFHSA-N 1 0 453.587 4.140 20 0 JIADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H](CC3CCCCC3)NC(=O)OC(C)(C)C)nc2)C1 ZINC001357146376 1067810303 /nfs/dbraw/zinc/81/03/03/1067810303.db2.gz WZQSYKVIDHFVRS-NHCUHLMSSA-N 1 0 459.635 4.024 20 0 JIADRO COc1ccc(CN(C)c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)cc1OC(F)F ZINC001300160080 1067815837 /nfs/dbraw/zinc/81/58/37/1067815837.db2.gz BXGCWYPNDMAVLC-UHFFFAOYSA-N 1 0 493.599 4.257 20 0 JIADRO CCN(CC(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1Cl ZINC001300161810 1067816856 /nfs/dbraw/zinc/81/68/56/1067816856.db2.gz BHYHGXJVXVJXOR-OYRHEFFESA-N 1 0 458.046 4.430 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CC2)[NH+](C)C)cc1F ZINC001300162936 1067818961 /nfs/dbraw/zinc/81/89/61/1067818961.db2.gz VJXYOUAKPBVMHY-LJQANCHMSA-N 1 0 458.969 4.118 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC001300163868 1067820849 /nfs/dbraw/zinc/82/08/49/1067820849.db2.gz FDLRBSUJOVKRMK-SIBVEZHUSA-N 1 0 464.614 4.201 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC001300163867 1067820864 /nfs/dbraw/zinc/82/08/64/1067820864.db2.gz FDLRBSUJOVKRMK-NIYFSFCBSA-N 1 0 464.614 4.201 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300164964 1067822733 /nfs/dbraw/zinc/82/27/33/1067822733.db2.gz YLWHVNRPKAIUBI-FQEVSTJZSA-N 1 0 483.613 4.001 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300167478 1067826065 /nfs/dbraw/zinc/82/60/65/1067826065.db2.gz YBTGMETVYWVKQY-BGYRXZFFSA-N 1 0 493.656 4.145 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300169679 1067828162 /nfs/dbraw/zinc/82/81/62/1067828162.db2.gz JUZDTFGRJQSQKF-HXAGEGRHSA-N 1 0 455.647 4.328 20 0 JIADRO O=C(Nc1cnccc1Nc1ccccc1)c1cc(I)c(F)cc1F ZINC001300171414 1067830619 /nfs/dbraw/zinc/83/06/19/1067830619.db2.gz IFSZTOHOKQWITR-UHFFFAOYSA-N 1 0 451.214 4.382 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC2(SC)CC[NH+](C)CC2)cc1C ZINC001300176023 1067835167 /nfs/dbraw/zinc/83/51/67/1067835167.db2.gz GXCOZNJHHILWRO-UHFFFAOYSA-N 1 0 480.682 4.045 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001300176370 1067836241 /nfs/dbraw/zinc/83/62/41/1067836241.db2.gz QWIRCAFHXYSNHS-UXHICEINSA-N 1 0 466.605 4.168 20 0 JIADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001357364539 1067839373 /nfs/dbraw/zinc/83/93/73/1067839373.db2.gz CXQLNWOQGDYMRP-SFTDATJTSA-N 1 0 459.631 4.459 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)NC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001200205411 1067842687 /nfs/dbraw/zinc/84/26/87/1067842687.db2.gz DEVKRNHPMKAHSB-QGZVFWFLSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300179772 1067842729 /nfs/dbraw/zinc/84/27/29/1067842729.db2.gz ZDLNBEAOZGOZFO-DENIHFKCSA-N 1 0 457.619 4.048 20 0 JIADRO CCOC(=O)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC001357410418 1067845469 /nfs/dbraw/zinc/84/54/69/1067845469.db2.gz YSUIUCJAVRWQDB-UHFFFAOYSA-N 1 0 451.445 4.245 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1Br ZINC001300190845 1067853363 /nfs/dbraw/zinc/85/33/63/1067853363.db2.gz YCZTVQPNXLHLJO-YLJYHZDGSA-N 1 0 476.463 4.497 20 0 JIADRO COc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001300191016 1067853658 /nfs/dbraw/zinc/85/36/58/1067853658.db2.gz LCLXGCQHGZWTSZ-OAQYLSRUSA-N 1 0 478.641 4.407 20 0 JIADRO O=C(C[N@@H+](CCc1cccc(F)c1)C1CCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001473279665 1067859412 /nfs/dbraw/zinc/85/94/12/1067859412.db2.gz BWGPNXDWZBRPCO-UHFFFAOYSA-N 1 0 457.634 4.254 20 0 JIADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Br ZINC001357496668 1067859809 /nfs/dbraw/zinc/85/98/09/1067859809.db2.gz ZBIZFHGNBMRQEL-YZGWKJHDSA-N 1 0 459.432 4.431 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001200221979 1067863944 /nfs/dbraw/zinc/86/39/44/1067863944.db2.gz NNMXDOUEZLMVRA-VQTJNVASSA-N 1 0 475.456 4.133 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001492557652 1067872013 /nfs/dbraw/zinc/87/20/13/1067872013.db2.gz RPBANRCYRZJWEH-QFIPXVFZSA-N 1 0 466.674 4.402 20 0 JIADRO CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC001357603201 1067876174 /nfs/dbraw/zinc/87/61/74/1067876174.db2.gz DAQFOPVJFRXPIV-UHFFFAOYSA-N 1 0 456.631 4.161 20 0 JIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)cc(Br)c1 ZINC001357608281 1067876771 /nfs/dbraw/zinc/87/67/71/1067876771.db2.gz FQDLNAXGIRSSFG-UHFFFAOYSA-N 1 0 453.178 4.253 20 0 JIADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001357634381 1067880031 /nfs/dbraw/zinc/88/00/31/1067880031.db2.gz TXCYBRQJPKORQC-OAQYLSRUSA-N 1 0 459.587 4.054 20 0 JIADRO CSc1cc(Br)ccc1C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC001200243301 1067884550 /nfs/dbraw/zinc/88/45/50/1067884550.db2.gz GZNIRVKOUQSRCG-UHFFFAOYSA-N 1 0 457.459 4.289 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(-c4cccc(F)c4)s3)c2)C1 ZINC001353165161 1067885968 /nfs/dbraw/zinc/88/59/68/1067885968.db2.gz UOXFWIJXCYLDHA-FQEVSTJZSA-N 1 0 451.567 4.182 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@H]21 ZINC001473302428 1067887578 /nfs/dbraw/zinc/88/75/78/1067887578.db2.gz QBIJPYKAUPTDKK-DFQSSKMNSA-N 1 0 456.612 4.034 20 0 JIADRO COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(F)c1 ZINC001300219045 1067890538 /nfs/dbraw/zinc/89/05/38/1067890538.db2.gz UOOLXTCSJQQWMU-UHFFFAOYSA-N 1 0 486.661 4.388 20 0 JIADRO COc1ccc(COCCCn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300234791 1067924282 /nfs/dbraw/zinc/92/42/82/1067924282.db2.gz ORMNLEFAIBJQCZ-HSZRJFAPSA-N 1 0 471.646 4.056 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCCCC1 ZINC001300237942 1067935997 /nfs/dbraw/zinc/93/59/97/1067935997.db2.gz URGLAJXAHDHXNI-LJQANCHMSA-N 1 0 462.038 4.347 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492560282 1067948488 /nfs/dbraw/zinc/94/84/88/1067948488.db2.gz UEGXKERJWCXHGZ-DHIUTWEWSA-N 1 0 482.717 4.169 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCC2)CC1 ZINC001300244953 1067964484 /nfs/dbraw/zinc/96/44/84/1067964484.db2.gz CUVSUIBHVVFGFA-UHFFFAOYSA-N 1 0 473.637 4.395 20 0 JIADRO COc1ccc(F)cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300245434 1067967672 /nfs/dbraw/zinc/96/76/72/1067967672.db2.gz OACCOVVMRYSXQC-IFMALSPDSA-N 1 0 473.637 4.313 20 0 JIADRO C[C@@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358029346 1067993008 /nfs/dbraw/zinc/99/30/08/1067993008.db2.gz OWHUCXLGAQFWKV-MRXNPFEDSA-N 1 0 456.562 4.255 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001300249743 1067997061 /nfs/dbraw/zinc/99/70/61/1067997061.db2.gz XVQDEKKDHNJMGN-FQEVSTJZSA-N 1 0 453.587 4.101 20 0 JIADRO CC(C)COC(=O)N1CCC(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038608 1068000556 /nfs/dbraw/zinc/00/05/56/1068000556.db2.gz JDWPIUURNOMROI-NQIIRXRSSA-N 1 0 453.986 4.093 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492561570 1068003042 /nfs/dbraw/zinc/00/30/42/1068003042.db2.gz JMEYHVOIMFCHIG-QNWVGRARSA-N 1 0 482.673 4.476 20 0 JIADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490950315 1068005247 /nfs/dbraw/zinc/00/52/47/1068005247.db2.gz LZBYLHYLSQYOHW-UHFFFAOYSA-N 1 0 467.561 4.315 20 0 JIADRO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062514 1068005783 /nfs/dbraw/zinc/00/57/83/1068005783.db2.gz MAESBBWAMATGCK-LADGPHEKSA-N 1 0 452.668 4.012 20 0 JIADRO Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001358072486 1068009535 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DQROYAPPMAGPAZ-FCHUYYIVSA-N 1 0 466.674 4.117 20 0 JIADRO Cc1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1NC(=O)CC[NH+](C)C ZINC001358450811 1068094662 /nfs/dbraw/zinc/09/46/62/1068094662.db2.gz OSZQQRZXVHJQCM-UHFFFAOYSA-N 1 0 455.946 4.160 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001200332834 1068098477 /nfs/dbraw/zinc/09/84/77/1068098477.db2.gz LQYPSHMFGBZACM-RQNOJGIXSA-N 1 0 491.742 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2c(C)coc2C)cc1 ZINC001300292406 1068098730 /nfs/dbraw/zinc/09/87/30/1068098730.db2.gz SKENNCREYQHERP-UHFFFAOYSA-N 1 0 467.614 4.434 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300296752 1068124485 /nfs/dbraw/zinc/12/44/85/1068124485.db2.gz OIZDMDKPPBJADI-AREMUKBSSA-N 1 0 473.662 4.095 20 0 JIADRO Cc1cc(C)n2nc(NC(=O)NCc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)nc2n1 ZINC000508055358 1068128431 /nfs/dbraw/zinc/12/84/31/1068128431.db2.gz RISHEPKFVGFICR-UHFFFAOYSA-N 1 0 455.566 4.326 20 0 JIADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)no1 ZINC000604193431 1068146572 /nfs/dbraw/zinc/14/65/72/1068146572.db2.gz VMFZPCAYFLMKKH-GOSISDBHSA-N 1 0 458.628 4.124 20 0 JIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001473438220 1068169186 /nfs/dbraw/zinc/16/91/86/1068169186.db2.gz ROAHCKQQWFWGGE-UYAOXDASSA-N 1 0 459.537 4.123 20 0 JIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001473438217 1068169776 /nfs/dbraw/zinc/16/97/76/1068169776.db2.gz ROAHCKQQWFWGGE-AZUAARDMSA-N 1 0 459.537 4.123 20 0 JIADRO C[C@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1 ZINC001353483601 1068192326 /nfs/dbraw/zinc/19/23/26/1068192326.db2.gz ODLZYEHJOGAQLN-HNNXBMFYSA-N 1 0 459.388 4.407 20 0 JIADRO COc1ccc(CNC(=S)NCC2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC001200369087 1068268744 /nfs/dbraw/zinc/26/87/44/1068268744.db2.gz RJWOGWBPISUOLS-UHFFFAOYSA-N 1 0 462.457 4.334 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332655 1068284983 /nfs/dbraw/zinc/28/49/83/1068284983.db2.gz MWTGRESRDBLFEH-JTHBVZDNSA-N 1 0 456.679 4.270 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)F)C2)[NH+](C)C)c1 ZINC001300334153 1068299736 /nfs/dbraw/zinc/29/97/36/1068299736.db2.gz FQFDNNQJMHETIG-TZIWHRDSSA-N 1 0 456.541 4.133 20 0 JIADRO COc1cccc([C@H](CNC(=O)Nc2nnc(Cc3ccccc3F)s2)[NH+]2CCCC2)c1 ZINC000518165290 1068302972 /nfs/dbraw/zinc/30/29/72/1068302972.db2.gz LDKDCKPJABQFKZ-FQEVSTJZSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)[NH+](C)C)c1 ZINC001300335155 1068305767 /nfs/dbraw/zinc/30/57/67/1068305767.db2.gz MZAWQTGVCOTSFS-QHCPKHFHSA-N 1 0 496.681 4.173 20 0 JIADRO COCC[NH+]1CCC(NC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 ZINC000518881909 1068311906 /nfs/dbraw/zinc/31/19/06/1068311906.db2.gz ZIHHHJAMQRGXSP-UHFFFAOYSA-N 1 0 476.455 4.370 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300338219 1068315253 /nfs/dbraw/zinc/31/52/53/1068315253.db2.gz AHININIADMRVOM-HSZRJFAPSA-N 1 0 452.603 4.488 20 0 JIADRO COc1cccc([C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300338991 1068318955 /nfs/dbraw/zinc/31/89/55/1068318955.db2.gz FWNPDQLAEBFSIH-WMZHIEFXSA-N 1 0 498.672 4.303 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300341087 1068326002 /nfs/dbraw/zinc/32/60/02/1068326002.db2.gz QGMIKEQNDXUULE-FQEVSTJZSA-N 1 0 481.563 4.141 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300341098 1068326269 /nfs/dbraw/zinc/32/62/69/1068326269.db2.gz QHPDAKNDPNVOSN-URXFXBBRSA-N 1 0 498.716 4.167 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)CC2)[NH+]2CCCC2)c1 ZINC001300341476 1068328649 /nfs/dbraw/zinc/32/86/49/1068328649.db2.gz RKAZRLMOSUPRLI-JOCHJYFZSA-N 1 0 494.606 4.007 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CC(F)(F)F)[NH+]2CCCC2)c1 ZINC001300341527 1068328731 /nfs/dbraw/zinc/32/87/31/1068328731.db2.gz RYZDXDMGIKPDPW-ICSRJNTNSA-N 1 0 467.536 4.016 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](O)CC3(CCCC3)C2)[NH+](C)C)c1 ZINC001300342299 1068330601 /nfs/dbraw/zinc/33/06/01/1068330601.db2.gz VXOQXXDHQKGRAJ-GMAHTHKFSA-N 1 0 469.674 4.310 20 0 JIADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)c1 ZINC000521507256 1068333658 /nfs/dbraw/zinc/33/36/58/1068333658.db2.gz ZQDPFVMDNSHOHE-UHFFFAOYSA-N 1 0 451.577 4.467 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300343750 1068336425 /nfs/dbraw/zinc/33/64/25/1068336425.db2.gz PCCNDANMWFUMRB-QFIPXVFZSA-N 1 0 479.673 4.308 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CCC(C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300345665 1068342923 /nfs/dbraw/zinc/34/29/23/1068342923.db2.gz REFMEVNWOHLSHR-QKDPSFTKSA-N 1 0 455.647 4.470 20 0 JIADRO 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COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300539390 1068966030 /nfs/dbraw/zinc/96/60/30/1068966030.db2.gz DQTLHCNMQJDCDJ-KNQAVFIVSA-N 1 0 469.655 4.105 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492569597 1068973344 /nfs/dbraw/zinc/97/33/44/1068973344.db2.gz BXGCEVCOIOMZGM-IBGZPJMESA-N 1 0 451.537 4.143 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001492568710 1068977871 /nfs/dbraw/zinc/97/78/71/1068977871.db2.gz XAYZQWWGVJTFKM-AZUAARDMSA-N 1 0 476.547 4.222 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001492568742 1068978563 /nfs/dbraw/zinc/97/85/63/1068978563.db2.gz XZYDWMGZLUHYGP-FQEVSTJZSA-N 1 0 464.580 4.058 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300546637 1068985282 /nfs/dbraw/zinc/98/52/82/1068985282.db2.gz DTJCDXBTNWKUNB-UHFFFAOYSA-N 1 0 451.537 4.164 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC=C(C(C)(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001300548483 1068991653 /nfs/dbraw/zinc/99/16/53/1068991653.db2.gz NBAXKTLZPUIYMF-UHFFFAOYSA-N 1 0 455.672 4.109 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492587646 1069026838 /nfs/dbraw/zinc/02/68/38/1069026838.db2.gz YCPZKBRBZPOSTG-UHFFFAOYSA-N 1 0 472.559 4.417 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300561640 1069033791 /nfs/dbraw/zinc/03/37/91/1069033791.db2.gz DYLJQFZAJLBMLX-NRFANRHFSA-N 1 0 483.060 4.465 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492589100 1069036946 /nfs/dbraw/zinc/03/69/46/1069036946.db2.gz XYGBOGAMMXJMCW-DQEYMECFSA-N 1 0 469.674 4.070 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001300562689 1069037970 /nfs/dbraw/zinc/03/79/70/1069037970.db2.gz LBHXEZFADQFEQB-UPVQGACJSA-N 1 0 455.647 4.002 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001492573884 1069041354 /nfs/dbraw/zinc/04/13/54/1069041354.db2.gz FZCKRJMFUKPPEQ-DEOSSOPVSA-N 1 0 494.728 4.143 20 0 JIADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1F ZINC001200614241 1069044720 /nfs/dbraw/zinc/04/47/20/1069044720.db2.gz JBDDXWDQIAEGHZ-LADGPHEKSA-N 1 0 454.567 4.171 20 0 JIADRO CC(C)Cn1cc([C@H]2N(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477624 1069047068 /nfs/dbraw/zinc/04/70/68/1069047068.db2.gz AEOXPXBBYFEMSY-AREMUKBSSA-N 1 0 452.643 4.367 20 0 JIADRO Cc1ccccc1[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492572958 1069048502 /nfs/dbraw/zinc/04/85/02/1069048502.db2.gz LXFOOYUOSZXXHG-FYYLOGMGSA-N 1 0 452.647 4.027 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849485952 1069052805 /nfs/dbraw/zinc/05/28/05/1069052805.db2.gz ZDSFXLBAOYCPTH-JBACZVJFSA-N 1 0 451.640 4.250 20 0 JIADRO Cc1csc(SCc2ccccc2C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC001300566341 1069056024 /nfs/dbraw/zinc/05/60/24/1069056024.db2.gz GULCOAQCNFCWCG-NRFANRHFSA-N 1 0 453.633 4.240 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 ZINC000849488641 1069056280 /nfs/dbraw/zinc/05/62/80/1069056280.db2.gz CYFZZLQLPUQTKR-SXWKCWPCSA-N 1 0 496.537 4.256 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1F ZINC000849490523 1069058530 /nfs/dbraw/zinc/05/85/30/1069058530.db2.gz OCEAWTSVOQJBGE-ZWKOTPCHSA-N 1 0 457.575 4.144 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493470 1069062637 /nfs/dbraw/zinc/06/26/37/1069062637.db2.gz KFCAIBRYQCGJBL-MOPGFXCFSA-N 1 0 474.631 4.156 20 0 JIADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849494305 1069063759 /nfs/dbraw/zinc/06/37/59/1069063759.db2.gz SPBICADWPOJCPG-ILBGXUMGSA-N 1 0 473.621 4.111 20 0 JIADRO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)n1 ZINC000849494299 1069063852 /nfs/dbraw/zinc/06/38/52/1069063852.db2.gz SNWFFOXJOAFQSC-PKTZIBPZSA-N 1 0 464.639 4.431 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300568206 1069065749 /nfs/dbraw/zinc/06/57/49/1069065749.db2.gz QKYLZJCCVNGCLQ-LEWJYISDSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501310 1069073121 /nfs/dbraw/zinc/07/31/21/1069073121.db2.gz UPMOPXOLRNNTMP-GOTSBHOMSA-N 1 0 493.583 4.273 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501534 1069073853 /nfs/dbraw/zinc/07/38/53/1069073853.db2.gz WBZVAXAAIUNUHI-RRPNLBNLSA-N 1 0 460.622 4.267 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849501099 1069073909 /nfs/dbraw/zinc/07/39/09/1069073909.db2.gz SKWVUSXLCFVYKK-SVBPBHIXSA-N 1 0 460.622 4.267 20 0 JIADRO Cc1ccccc1[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001492574165 1069074207 /nfs/dbraw/zinc/07/42/07/1069074207.db2.gz MKAJGYVICPGPBW-LEAFIULHSA-N 1 0 499.700 4.324 20 0 JIADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502429 1069074790 /nfs/dbraw/zinc/07/47/90/1069074790.db2.gz CAYFEEXJBPAEQY-MOPGFXCFSA-N 1 0 488.455 4.212 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503481 1069079711 /nfs/dbraw/zinc/07/97/11/1069079711.db2.gz YFPXPUCXTXLGJG-IEXUWNMDSA-N 1 0 468.642 4.441 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504344 1069080592 /nfs/dbraw/zinc/08/05/92/1069080592.db2.gz OKEWZYSBCSRORI-RRPNLBNLSA-N 1 0 476.621 4.468 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505734 1069086277 /nfs/dbraw/zinc/08/62/77/1069086277.db2.gz JBCAPDAQNUIDTN-CLJLJLNGSA-N 1 0 465.686 4.317 20 0 JIADRO Cc1cc(CN(C)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc(C)c1OCC(F)(F)F ZINC000849505986 1069086300 /nfs/dbraw/zinc/08/63/00/1069086300.db2.gz LBBSNSGKUIKPEG-VXKWHMMOSA-N 1 0 480.575 4.451 20 0 JIADRO Cc1cc(CN(C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc(C)c1OCC(F)(F)F ZINC000849505985 1069086328 /nfs/dbraw/zinc/08/63/28/1069086328.db2.gz LBBSNSGKUIKPEG-FGZHOGPDSA-N 1 0 480.575 4.451 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849508272 1069088943 /nfs/dbraw/zinc/08/89/43/1069088943.db2.gz HWBJWOQGUOZZGK-VQTJNVASSA-N 1 0 452.530 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849507754 1069088988 /nfs/dbraw/zinc/08/89/88/1069088988.db2.gz SNJQQQCOTPFOPR-MOPGFXCFSA-N 1 0 469.973 4.371 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507589 1069089970 /nfs/dbraw/zinc/08/99/70/1069089970.db2.gz DKFNFFACMVZZBJ-FCHUYYIVSA-N 1 0 466.973 4.392 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510217 1069090763 /nfs/dbraw/zinc/09/07/63/1069090763.db2.gz PHRWHBAZMDBFSG-SFTDATJTSA-N 1 0 459.432 4.192 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511026 1069094529 /nfs/dbraw/zinc/09/45/29/1069094529.db2.gz WRZLRSOEPDUMEG-JWQCQUIFSA-N 1 0 452.643 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513220 1069097098 /nfs/dbraw/zinc/09/70/98/1069097098.db2.gz QYDJTHUOBYWPFQ-ZEQRLZLVSA-N 1 0 456.594 4.271 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513178 1069097140 /nfs/dbraw/zinc/09/71/40/1069097140.db2.gz AOLXCRBHSKYGII-DNQXCXABSA-N 1 0 462.642 4.415 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513479 1069097742 /nfs/dbraw/zinc/09/77/42/1069097742.db2.gz SNPADWHJEVLGKQ-FTJBHMTQSA-N 1 0 458.606 4.152 20 0 JIADRO Cc1nnc(Sc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513572 1069098102 /nfs/dbraw/zinc/09/81/02/1069098102.db2.gz CMRCMGWVQBWVAR-PMACEKPBSA-N 1 0 470.668 4.492 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849516413 1069100699 /nfs/dbraw/zinc/10/06/99/1069100699.db2.gz PHVXKLQDUMGWKM-MOPGFXCFSA-N 1 0 451.596 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849515864 1069101798 /nfs/dbraw/zinc/10/17/98/1069101798.db2.gz NCJCBAMMQQEKDD-AJSBUHFISA-N 1 0 497.043 4.344 20 0 JIADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849516217 1069101846 /nfs/dbraw/zinc/10/18/46/1069101846.db2.gz ORYKWJASEVTVPZ-ISJGIBHGSA-N 1 0 482.669 4.265 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517055 1069103286 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ZINC000849592230 1069243631 /nfs/dbraw/zinc/24/36/31/1069243631.db2.gz NVCUPKGLWVHHER-VXNXHJTFSA-N 1 0 459.034 4.172 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591652 1069244206 /nfs/dbraw/zinc/24/42/06/1069244206.db2.gz KDCFIQSCCOEXHN-QIJZPMMNSA-N 1 0 457.416 4.291 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849593851 1069246367 /nfs/dbraw/zinc/24/63/67/1069246367.db2.gz DIJYBFHWBNPBEA-AGOPTVSRSA-N 1 0 459.432 4.059 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)s3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849595164 1069247105 /nfs/dbraw/zinc/24/71/05/1069247105.db2.gz ZWGRKYVKFXGTLW-QZTJIDSGSA-N 1 0 479.488 4.296 20 0 JIADRO COCC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000849594871 1069247989 /nfs/dbraw/zinc/24/79/89/1069247989.db2.gz YVKQQQQSARFOEA-JQVVWYNYSA-N 1 0 467.441 4.435 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300622809 1069248767 /nfs/dbraw/zinc/24/87/67/1069248767.db2.gz MHGVFOMDPMXNCG-FYYLOGMGSA-N 1 0 455.647 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)[C@H](c2cnn(C)c2)C1 ZINC000849596143 1069249226 /nfs/dbraw/zinc/24/92/26/1069249226.db2.gz NHEWQMRNDCFOJR-PKTZIBPZSA-N 1 0 497.640 4.002 20 0 JIADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Cn1c(C)nc2ccccc2c1=O ZINC001300624067 1069253490 /nfs/dbraw/zinc/25/34/90/1069253490.db2.gz CLTDORNBBYXDDE-UHFFFAOYSA-N 1 0 455.002 4.119 20 0 JIADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC001300624403 1069254337 /nfs/dbraw/zinc/25/43/37/1069254337.db2.gz NAOOHVWIAGQTFI-UHFFFAOYSA-N 1 0 457.018 4.493 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849600326 1069256419 /nfs/dbraw/zinc/25/64/19/1069256419.db2.gz PXZQRYNBWZDAPY-YUXAGFNASA-N 1 0 459.432 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849601437 1069257174 /nfs/dbraw/zinc/25/71/74/1069257174.db2.gz VQOGRQINIDPFHF-DHIUTWEWSA-N 1 0 461.025 4.461 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849603796 1069261553 /nfs/dbraw/zinc/26/15/53/1069261553.db2.gz GXDUPQSOGNBZFC-PKTZIBPZSA-N 1 0 456.594 4.340 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606260 1069262525 /nfs/dbraw/zinc/26/25/25/1069262525.db2.gz NMRGWTAGVLZWQZ-IAGOWNOFSA-N 1 0 489.443 4.154 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849607425 1069263314 /nfs/dbraw/zinc/26/33/14/1069263314.db2.gz VOOQZSSUBQASOV-XQBPLPMBSA-N 1 0 454.018 4.042 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@@H](c2cnn(C)c2)C1 ZINC000849608329 1069264289 /nfs/dbraw/zinc/26/42/89/1069264289.db2.gz OJPWKBMAXOSUDJ-HUUCEWRRSA-N 1 0 477.432 4.087 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607630 1069265533 /nfs/dbraw/zinc/26/55/33/1069265533.db2.gz XJUVHCOGNDBRMX-PMACEKPBSA-N 1 0 454.962 4.108 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849610370 1069266817 /nfs/dbraw/zinc/26/68/17/1069266817.db2.gz JINGMFCSHNQDPM-KMDXXIMOSA-N 1 0 481.641 4.385 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849610547 1069267021 /nfs/dbraw/zinc/26/70/21/1069267021.db2.gz KOMMQCDGGDBALJ-SJORKVTESA-N 1 0 456.475 4.404 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849610247 1069267576 /nfs/dbraw/zinc/26/75/76/1069267576.db2.gz YTGBYMMFSXVRLF-DHIUTWEWSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849611120 1069269382 /nfs/dbraw/zinc/26/93/82/1069269382.db2.gz UBRIROSDYBODPT-IAGOWNOFSA-N 1 0 462.670 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CSCc3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849611087 1069269951 /nfs/dbraw/zinc/26/99/51/1069269951.db2.gz SYIJIVNYPDAUGF-JBACZVJFSA-N 1 0 477.472 4.101 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849613140 1069274342 /nfs/dbraw/zinc/27/43/42/1069274342.db2.gz PFJFBRYHANAZGJ-IAGOWNOFSA-N 1 0 489.443 4.154 20 0 JIADRO Fc1ccc(NC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)cc1F ZINC001200689317 1069289752 /nfs/dbraw/zinc/28/97/52/1069289752.db2.gz FZDRWYZEMNJQKD-KBMIEXCESA-N 1 0 472.605 4.307 20 0 JIADRO FC1(F)CO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164422967 718926977 /nfs/dbraw/zinc/92/69/77/718926977.db2.gz CKRFQMRHCJUKEP-WOJBJXKFSA-N 1 0 461.940 4.227 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619345 719010683 /nfs/dbraw/zinc/01/06/83/719010683.db2.gz VSUXAWLOHBIMFO-NFQMXDRXSA-N 1 0 499.725 4.299 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)CC1 ZINC001164613843 719023587 /nfs/dbraw/zinc/02/35/87/719023587.db2.gz HGFVFRIGJLYYQS-UHFFFAOYSA-N 1 0 470.923 4.211 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC2)CC1 ZINC001164617027 719034824 /nfs/dbraw/zinc/03/48/24/719034824.db2.gz FOZBWENNKNRMAD-UHFFFAOYSA-N 1 0 462.953 4.305 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164630113 719089857 /nfs/dbraw/zinc/08/98/57/719089857.db2.gz VLBLTVOCMLJDKX-NFBKMPQASA-N 1 0 466.626 4.458 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164630115 719090281 /nfs/dbraw/zinc/09/02/81/719090281.db2.gz VLBLTVOCMLJDKX-OFNKIYASSA-N 1 0 466.626 4.458 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648910 719296201 /nfs/dbraw/zinc/29/62/01/719296201.db2.gz GJVQQRCMSFTENS-BDTNDASRSA-N 1 0 476.955 4.005 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164648917 719296284 /nfs/dbraw/zinc/29/62/84/719296284.db2.gz GJVQQRCMSFTENS-FSSWDIPSSA-N 1 0 476.955 4.005 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CCN(Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650539 719296398 /nfs/dbraw/zinc/29/63/98/719296398.db2.gz IPHPOYHGCOJBTE-UFHPHHKVSA-N 1 0 473.596 4.223 20 0 JIADRO Fc1cccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649186 719296650 /nfs/dbraw/zinc/29/66/50/719296650.db2.gz HGFVPYXZJOPVTR-UFHPHHKVSA-N 1 0 473.596 4.223 20 0 JIADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164669830 719439379 /nfs/dbraw/zinc/43/93/79/719439379.db2.gz MRZYDOOUGSWHRR-RBUKOAKNSA-N 1 0 452.649 4.382 20 0 JIADRO Cc1cc2c(ncnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164684579 719655333 /nfs/dbraw/zinc/65/53/33/719655333.db2.gz YDLFNFNUMKWUGJ-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164682847 719656601 /nfs/dbraw/zinc/65/66/01/719656601.db2.gz TVQNBJSYQVTXSA-GOSISDBHSA-N 1 0 476.999 4.373 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)c2ccccc21 ZINC001164680076 719666906 /nfs/dbraw/zinc/66/69/06/719666906.db2.gz BLDDCSBKUWPHBC-QFIPXVFZSA-N 1 0 487.623 4.376 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cc(Cl)cnc4n3)CC2)c2ccccc21 ZINC001164680835 719667030 /nfs/dbraw/zinc/66/70/30/719667030.db2.gz HXEGQSFICJGXQY-HXUWFJFHSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@H](F)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164684173 719668330 /nfs/dbraw/zinc/66/83/30/719668330.db2.gz SLIXLTJNVNKALW-DVECYGJZSA-N 1 0 459.009 4.292 20 0 JIADRO COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc21 ZINC001164680455 719674596 /nfs/dbraw/zinc/67/45/96/719674596.db2.gz FKFKMQBNIZIHDP-OAQYLSRUSA-N 1 0 472.633 4.337 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-c4ccncc4)cn3)CC2)c2ccccc21 ZINC001164681134 719676072 /nfs/dbraw/zinc/67/60/72/719676072.db2.gz KBCGAFSCRPNLGH-XMMPIXPASA-N 1 0 469.633 4.237 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-c4ccncc4)cn3)CC2)c2ccccc21 ZINC001164681132 719676476 /nfs/dbraw/zinc/67/64/76/719676476.db2.gz KBCGAFSCRPNLGH-DEOSSOPVSA-N 1 0 469.633 4.237 20 0 JIADRO COc1cccc(-c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)c1 ZINC001164682763 719677725 /nfs/dbraw/zinc/67/77/25/719677725.db2.gz POJSMXPPHBOKOC-QHCPKHFHSA-N 1 0 499.659 4.246 20 0 JIADRO Cc1cc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)nn1 ZINC001164679984 719678694 /nfs/dbraw/zinc/67/86/94/719678694.db2.gz AGUCIGDSVUCKMO-GOSISDBHSA-N 1 0 492.014 4.077 20 0 JIADRO COc1cccc2c1ccnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679982 719679398 /nfs/dbraw/zinc/67/93/98/719679398.db2.gz ACCSBTJUAMYSQM-OAQYLSRUSA-N 1 0 472.633 4.337 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccs3)nc3sc(C)c(C)c31)CC2 ZINC001164690119 719741229 /nfs/dbraw/zinc/74/12/29/719741229.db2.gz SYBGYGHCAKMODZ-UHFFFAOYSA-N 1 0 455.653 4.217 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693655 719760973 /nfs/dbraw/zinc/76/09/73/719760973.db2.gz ZDXFRFCGYLXDII-IQGLISFBSA-N 1 0 482.629 4.097 20 0 JIADRO Cc1nc(C[N@@H+]2CCCC23CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cs1 ZINC001164691533 719814349 /nfs/dbraw/zinc/81/43/49/719814349.db2.gz GISFDAZFISITHP-FQEVSTJZSA-N 1 0 475.968 4.335 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164706896 719904470 /nfs/dbraw/zinc/90/44/70/719904470.db2.gz LLHNFSRKMOSCDP-UHFFFAOYSA-N 1 0 479.650 4.055 20 0 JIADRO COCc1nn(-c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)c2c1C[NH2+]C2 ZINC001164714953 720078683 /nfs/dbraw/zinc/07/86/83/720078683.db2.gz XQBMKEQNSKHNCE-UHFFFAOYSA-N 1 0 466.636 4.341 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164719544 720110758 /nfs/dbraw/zinc/11/07/58/720110758.db2.gz YTICTPYBGRLXNE-SFHVURJKSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164711743 720128547 /nfs/dbraw/zinc/12/85/47/720128547.db2.gz JEXHUWMWGHOQHG-HXUWFJFHSA-N 1 0 498.990 4.359 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164714069 720134629 /nfs/dbraw/zinc/13/46/29/720134629.db2.gz VWZHPYMYACSHLE-JOCHJYFZSA-N 1 0 463.557 4.311 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH]1 ZINC001164713525 720136931 /nfs/dbraw/zinc/13/69/31/720136931.db2.gz RHFIDICVIUEQBA-IBGZPJMESA-N 1 0 455.006 4.076 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164713970 720142101 /nfs/dbraw/zinc/14/21/01/720142101.db2.gz UNYFSWIIAHXGSJ-QHCPKHFHSA-N 1 0 459.594 4.055 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164712241 720144747 /nfs/dbraw/zinc/14/47/47/720144747.db2.gz LQWWVRALCGPAQE-QHCPKHFHSA-N 1 0 498.071 4.264 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711362 720155377 /nfs/dbraw/zinc/15/53/77/720155377.db2.gz BDMYHOGCUXUJQL-QGZVFWFLSA-N 1 0 450.414 4.248 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817790 720168312 /nfs/dbraw/zinc/16/83/12/720168312.db2.gz QFWUGDDCAYONRY-PIKZIKFNSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819136 720168473 /nfs/dbraw/zinc/16/84/73/720168473.db2.gz WGSAFQHJMQKUQF-CUBQBAPOSA-N 1 0 459.638 4.281 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812452 720176055 /nfs/dbraw/zinc/17/60/55/720176055.db2.gz ASLQXHRHPRVPHF-ZHRRBRCNSA-N 1 0 466.960 4.021 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CCC2 ZINC001164814504 720237313 /nfs/dbraw/zinc/23/73/13/720237313.db2.gz VZUCZGAPFQGAOE-UHFFFAOYSA-N 1 0 490.558 4.382 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164821276 720306061 /nfs/dbraw/zinc/30/60/61/720306061.db2.gz JPBPDHQFSAZOBK-FCHUYYIVSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164831947 720321468 /nfs/dbraw/zinc/32/14/68/720321468.db2.gz SJGFFFWHPMCEGZ-MOPGFXCFSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164825423 720336453 /nfs/dbraw/zinc/33/64/53/720336453.db2.gz DUMGIHVELNMFFN-SVBPBHIXSA-N 1 0 469.633 4.132 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164825173 720339142 /nfs/dbraw/zinc/33/91/42/720339142.db2.gz ISMDRXNEIFJTSP-YADHBBJMSA-N 1 0 490.677 4.282 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164828634 720345368 /nfs/dbraw/zinc/34/53/68/720345368.db2.gz OVPVYSSPFXQCDV-YADHBBJMSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164824305 720352595 /nfs/dbraw/zinc/35/25/95/720352595.db2.gz HVSACFKJTICCPY-RBUKOAKNSA-N 1 0 490.435 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164823572 720355723 /nfs/dbraw/zinc/35/57/23/720355723.db2.gz HBRNWBVBMGPHQS-YADHBBJMSA-N 1 0 481.031 4.460 20 0 JIADRO Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822208 720393478 /nfs/dbraw/zinc/39/34/78/720393478.db2.gz KOPKHGRTWLMYDJ-PWRODBHTSA-N 1 0 497.011 4.375 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC001164728171 720515422 /nfs/dbraw/zinc/51/54/22/720515422.db2.gz JTULZWZMWBQNFJ-SFHVURJKSA-N 1 0 459.985 4.254 20 0 JIADRO CC(C)(C)N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734928 720543954 /nfs/dbraw/zinc/54/39/54/720543954.db2.gz LLSXPHAMOHBIPN-IBGZPJMESA-N 1 0 456.034 4.162 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838020 720554463 /nfs/dbraw/zinc/55/44/63/720554463.db2.gz NIRHQFJNLTZQKP-UMXIMWEHSA-N 1 0 473.600 4.193 20 0 JIADRO Clc1cc2nc(Cl)c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2cc1Cl ZINC001164732694 720557006 /nfs/dbraw/zinc/55/70/06/720557006.db2.gz DPMGOVXBOXDYOI-UHFFFAOYSA-N 1 0 451.789 4.445 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733749 720557618 /nfs/dbraw/zinc/55/76/18/720557618.db2.gz RGQNKIVILNOIJK-UHFFFAOYSA-N 1 0 458.944 4.197 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC[C@@H]21 ZINC001164839685 720563852 /nfs/dbraw/zinc/56/38/52/720563852.db2.gz RKHQQPQWSTZRAV-CUWPLCDZSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842826 720600344 /nfs/dbraw/zinc/60/03/44/720600344.db2.gz VTJKQOHNANZQDB-OTNCWRBYSA-N 1 0 453.594 4.266 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843119 720615084 /nfs/dbraw/zinc/61/50/84/720615084.db2.gz WKMWKEBSVQYEDJ-WSTZPKSXSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)CC[C@@H]21 ZINC001164843128 720642587 /nfs/dbraw/zinc/64/25/87/720642587.db2.gz WNFYDKKYPOTIAM-DYXWJJEUSA-N 1 0 452.990 4.497 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164841092 720689525 /nfs/dbraw/zinc/68/95/25/720689525.db2.gz HQPJDGLNFQPJIM-HXUWFJFHSA-N 1 0 458.002 4.480 20 0 JIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841031 720711845 /nfs/dbraw/zinc/71/18/45/720711845.db2.gz UJJBWRQWEFXKNP-WIOPSUGQSA-N 1 0 462.638 4.214 20 0 JIADRO COc1ccc(OC)c(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840350 720717833 /nfs/dbraw/zinc/71/78/33/720717833.db2.gz PXBBCMLOGPLAPR-QFIPXVFZSA-N 1 0 474.605 4.421 20 0 JIADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737852 720718437 /nfs/dbraw/zinc/71/84/37/720718437.db2.gz HJQDFGCKKAAMAV-WOJBJXKFSA-N 1 0 476.943 4.221 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164838995 720719832 /nfs/dbraw/zinc/71/98/32/720719832.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 1 0 498.675 4.063 20 0 JIADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844343 720741205 /nfs/dbraw/zinc/74/12/05/720741205.db2.gz QBPONFRLLHNZIB-UHFFFAOYSA-N 1 0 481.938 4.186 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742946 720847778 /nfs/dbraw/zinc/84/77/78/720847778.db2.gz HLCPHUCRKYLXCE-POGFHVCPSA-N 1 0 483.595 4.407 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742949 720847948 /nfs/dbraw/zinc/84/79/48/720847948.db2.gz HLCPHUCRKYLXCE-WHSBFGAESA-N 1 0 483.595 4.407 20 0 JIADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746176 720852051 /nfs/dbraw/zinc/85/20/51/720852051.db2.gz GGDRPSIYEWIJNH-QSEAXJEQSA-N 1 0 465.605 4.268 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749900 720852116 /nfs/dbraw/zinc/85/21/16/720852116.db2.gz OMPNGTUBBSAFBU-KJXAQDMKSA-N 1 0 499.997 4.313 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746179 720852419 /nfs/dbraw/zinc/85/24/19/720852419.db2.gz GGDRPSIYEWIJNH-VMODYCNZSA-N 1 0 465.605 4.268 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752700 720858075 /nfs/dbraw/zinc/85/80/75/720858075.db2.gz UHYXEZWIGXEYEQ-QNWVGRARSA-N 1 0 494.043 4.456 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164753594 720858856 /nfs/dbraw/zinc/85/88/56/720858856.db2.gz YLWJQWLAECOAMA-QNWVGRARSA-N 1 0 494.043 4.456 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164753595 720859935 /nfs/dbraw/zinc/85/99/35/720859935.db2.gz YLWJQWLAECOAMA-QZNHQXDQSA-N 1 0 494.043 4.456 20 0 JIADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747815 720870253 /nfs/dbraw/zinc/87/02/53/720870253.db2.gz BVNLQZGSOKXQCM-FYYLOGMGSA-N 1 0 462.972 4.430 20 0 JIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747800 720871952 /nfs/dbraw/zinc/87/19/52/720871952.db2.gz BRIPXNCLNYNQHL-PGRDOPGGSA-N 1 0 498.405 4.478 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753509 720872799 /nfs/dbraw/zinc/87/27/99/720872799.db2.gz PVYOXDWDOZHQOR-AJTFRIOCSA-N 1 0 499.055 4.370 20 0 JIADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164748516 720875590 /nfs/dbraw/zinc/87/55/90/720875590.db2.gz FRCMKSMEILXVLQ-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@H]2C1 ZINC001164862958 720875654 /nfs/dbraw/zinc/87/56/54/720875654.db2.gz SEJXIPWBOJSZQE-FXAWDEMLSA-N 1 0 459.015 4.185 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CSCC2 ZINC001164748025 720876378 /nfs/dbraw/zinc/87/63/78/720876378.db2.gz DIPMRBPJHPGTJO-NLFFAJNJSA-N 1 0 486.085 4.069 20 0 JIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753856 720879199 /nfs/dbraw/zinc/87/91/99/720879199.db2.gz QEHNDYWLSXYMMN-PGRDOPGGSA-N 1 0 498.405 4.478 20 0 JIADRO Clc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164754084 720879849 /nfs/dbraw/zinc/87/98/49/720879849.db2.gz QZWGMWOSDOHEEZ-DVECYGJZSA-N 1 0 470.042 4.495 20 0 JIADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753326 720881653 /nfs/dbraw/zinc/88/16/53/720881653.db2.gz OZWQYCQVMMKKKT-OFNKIYASSA-N 1 0 478.971 4.310 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164857590 720881743 /nfs/dbraw/zinc/88/17/43/720881743.db2.gz KASKSPXAKCAHJD-IFMALSPDSA-N 1 0 464.635 4.409 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755051 720882614 /nfs/dbraw/zinc/88/26/14/720882614.db2.gz KLDMUOHGAGNSTL-AMGIVPHBSA-N 1 0 499.055 4.370 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001164862187 720883990 /nfs/dbraw/zinc/88/39/90/720883990.db2.gz RDWJNNSSCKUDSO-DYESRHJHSA-N 1 0 469.935 4.260 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]2C1 ZINC001164863606 720883995 /nfs/dbraw/zinc/88/39/95/720883995.db2.gz SQOVRTFODOVFLF-IERDGZPVSA-N 1 0 469.935 4.260 20 0 JIADRO Clc1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164758885 720886272 /nfs/dbraw/zinc/88/62/72/720886272.db2.gz ZZUQHWBVEGEDEX-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1ccc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2n1 ZINC001164754352 720892768 /nfs/dbraw/zinc/89/27/68/720892768.db2.gz INZNOPVMXZHNOI-ATIYNZHBSA-N 1 0 464.013 4.433 20 0 JIADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164756569 720894126 /nfs/dbraw/zinc/89/41/26/720894126.db2.gz QIVXOTZKYNZNKO-RBISFHTESA-N 1 0 468.605 4.261 20 0 JIADRO Clc1ccnc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164757803 720895087 /nfs/dbraw/zinc/89/50/87/720895087.db2.gz VQWXCCMHQIPGHW-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758142 720899274 /nfs/dbraw/zinc/89/92/74/720899274.db2.gz XCGYUJORMXZTCC-RLWLMLJZSA-N 1 0 496.059 4.211 20 0 JIADRO CC(C)n1ccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754386 720903935 /nfs/dbraw/zinc/90/39/35/720903935.db2.gz ITNAJAFKVVMDBF-KCWPFWIISA-N 1 0 460.626 4.162 20 0 JIADRO CSc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755240 720905673 /nfs/dbraw/zinc/90/56/73/720905673.db2.gz ZXMJJGDIVBXMEM-CVDCTZTESA-N 1 0 460.047 4.002 20 0 JIADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752781 720907054 /nfs/dbraw/zinc/90/70/54/720907054.db2.gz OTEZVECSZRBXOB-FYBSXPHGSA-N 1 0 498.675 4.380 20 0 JIADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)nn1 ZINC001164749054 720912951 /nfs/dbraw/zinc/91/29/51/720912951.db2.gz HMYRCJGVKGELGL-OFNKIYASSA-N 1 0 477.987 4.133 20 0 JIADRO COc1ccccc1-c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748484 720917127 /nfs/dbraw/zinc/91/71/27/720917127.db2.gz GFKQBGFQKNLVFL-OUTSHDOLSA-N 1 0 485.632 4.302 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748068 720917212 /nfs/dbraw/zinc/91/72/12/720917212.db2.gz FMCLANLOPUPFDG-GIGWZHCTSA-N 1 0 486.616 4.172 20 0 JIADRO CCc1nc2sccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753123 720927022 /nfs/dbraw/zinc/92/70/22/720927022.db2.gz QFJVUXBOGTVYDV-RLWLMLJZSA-N 1 0 463.651 4.404 20 0 JIADRO NC(=S)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164748534 720937478 /nfs/dbraw/zinc/93/74/78/720937478.db2.gz GTUVPIMKPIUFPT-FQRUVTKNSA-N 1 0 493.702 4.081 20 0 JIADRO c1cc2c(nc(C3CCC3)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164749179 720940173 /nfs/dbraw/zinc/94/01/73/720940173.db2.gz IFDKNNWVBFPVLF-FIPFOOKPSA-N 1 0 472.637 4.376 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864731 721110199 /nfs/dbraw/zinc/11/01/99/721110199.db2.gz GPNBRGAOVLANFL-DNQXCXABSA-N 1 0 451.574 4.480 20 0 JIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773262 721154270 /nfs/dbraw/zinc/15/42/70/721154270.db2.gz XPBLABBCWQIXFY-LEWJYISDSA-N 1 0 456.569 4.436 20 0 JIADRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164877572 721177841 /nfs/dbraw/zinc/17/78/41/721177841.db2.gz OQWMZWHQOKJSCG-ZEQRLZLVSA-N 1 0 464.013 4.212 20 0 JIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164873566 721182509 /nfs/dbraw/zinc/18/25/09/721182509.db2.gz IPZBJBZQZPERHO-NOZRDPDXSA-N 1 0 467.573 4.084 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@H]3C2)cn1 ZINC001164762721 721226503 /nfs/dbraw/zinc/22/65/03/721226503.db2.gz DLMQCOGAENPIKM-RTBURBONSA-N 1 0 458.944 4.034 20 0 JIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164760203 721246988 /nfs/dbraw/zinc/24/69/88/721246988.db2.gz DCVOQCPEJSVQAE-MOPGFXCFSA-N 1 0 488.970 4.042 20 0 JIADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760424 721246994 /nfs/dbraw/zinc/24/69/94/721246994.db2.gz DWGATUZEXYNADY-WOJBJXKFSA-N 1 0 472.971 4.342 20 0 JIADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760422 721247698 /nfs/dbraw/zinc/24/76/98/721247698.db2.gz DWGATUZEXYNADY-VQTJNVASSA-N 1 0 472.971 4.342 20 0 JIADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164768919 721247718 /nfs/dbraw/zinc/24/77/18/721247718.db2.gz YMZBXXYMARHSSR-WOJBJXKFSA-N 1 0 472.971 4.342 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164877987 721316026 /nfs/dbraw/zinc/31/60/26/721316026.db2.gz MCNWCCWYIVOCJE-MAODMQOUSA-N 1 0 476.955 4.114 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164877994 721316046 /nfs/dbraw/zinc/31/60/46/721316046.db2.gz MCNWCCWYIVOCJE-TYCQWZJGSA-N 1 0 476.955 4.114 20 0 JIADRO O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164874638 721319882 /nfs/dbraw/zinc/31/98/82/721319882.db2.gz CZGRTXNXDNDTNG-NRFANRHFSA-N 1 0 472.967 4.157 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779510 721353886 /nfs/dbraw/zinc/35/38/86/721353886.db2.gz UMODKVNFZNLOSW-SANMLTNESA-N 1 0 464.614 4.270 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccccc43)C2)C1 ZINC001164782279 721368380 /nfs/dbraw/zinc/36/83/80/721368380.db2.gz MEKXRTMNAYGYBH-DEOSSOPVSA-N 1 0 457.525 4.291 20 0 JIADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@H](C[NH+]4CCN(C)CC4)O5)c23)cc1 ZINC001164883503 721403959 /nfs/dbraw/zinc/40/39/59/721403959.db2.gz AHIJWSYBGQEYSY-AJTFRIOCSA-N 1 0 477.678 4.432 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889420 721405157 /nfs/dbraw/zinc/40/51/57/721405157.db2.gz QGRPFOQZHYPNNZ-NFBKMPQASA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164887672 721423792 /nfs/dbraw/zinc/42/37/92/721423792.db2.gz LZPJIUGSNVSALN-WMZHIEFXSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C3)O2)CC1 ZINC001164895760 721436182 /nfs/dbraw/zinc/43/61/82/721436182.db2.gz PGUWSDHUKSXSKX-HTAPYJJXSA-N 1 0 498.043 4.169 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164781539 721442358 /nfs/dbraw/zinc/44/23/58/721442358.db2.gz GEFSVPJSLOMCFP-LOSJGSFVSA-N 1 0 460.626 4.468 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164784690 721459042 /nfs/dbraw/zinc/45/90/42/721459042.db2.gz JNLPGIDXUUDXBK-HXUWFJFHSA-N 1 0 463.066 4.133 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164786660 721459061 /nfs/dbraw/zinc/45/90/61/721459061.db2.gz PAHCMJDYKYQILR-QGZVFWFLSA-N 1 0 461.956 4.153 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164786470 721463681 /nfs/dbraw/zinc/46/36/81/721463681.db2.gz OFBICUCVPOQLFJ-HXUWFJFHSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164785781 721464573 /nfs/dbraw/zinc/46/45/73/721464573.db2.gz NLAMXHHEKJYTHY-QGZVFWFLSA-N 1 0 493.426 4.148 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164791850 721469126 /nfs/dbraw/zinc/46/91/26/721469126.db2.gz ZWYHMHWPODABSU-HSZRJFAPSA-N 1 0 454.590 4.017 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164790133 721470896 /nfs/dbraw/zinc/47/08/96/721470896.db2.gz RQQKYLFVNVOMOX-JOCHJYFZSA-N 1 0 493.677 4.487 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164787972 721471641 /nfs/dbraw/zinc/47/16/41/721471641.db2.gz HGRUGJPGSHPIOX-FQEVSTJZSA-N 1 0 460.619 4.078 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164788322 721473478 /nfs/dbraw/zinc/47/34/78/721473478.db2.gz IZLDIBRUVQAOKL-GOSISDBHSA-N 1 0 469.457 4.395 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906001 721708578 /nfs/dbraw/zinc/70/85/78/721708578.db2.gz JFOXIMDHSMUCBD-JOCHJYFZSA-N 1 0 459.928 4.425 20 0 JIADRO COc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907026 721710285 /nfs/dbraw/zinc/71/02/85/721710285.db2.gz PPDGYWCRRPLSSD-IBGZPJMESA-N 1 0 458.887 4.421 20 0 JIADRO FC1(F)CCN(c2cc(OCc3ccccc3)cnn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906728 721710830 /nfs/dbraw/zinc/71/08/30/721710830.db2.gz NWIQLPGKGCCQOX-XMMPIXPASA-N 1 0 451.521 4.188 20 0 JIADRO O=C(c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1)N1CCCCC1 ZINC001164909720 721727743 /nfs/dbraw/zinc/72/77/43/721727743.db2.gz DEPSUSSKHYMDTJ-XMMPIXPASA-N 1 0 489.998 4.494 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915359 721803313 /nfs/dbraw/zinc/80/33/13/721803313.db2.gz IWOPIYVCCSFZEX-OAQYLSRUSA-N 1 0 496.940 4.189 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165027212 721810817 /nfs/dbraw/zinc/81/08/17/721810817.db2.gz TVLIGVAZRVTIDP-XAUMDUMWSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)C[C@@H]21 ZINC001165026217 721811484 /nfs/dbraw/zinc/81/14/84/721811484.db2.gz PNSLRNHIUPPEFR-PMXSJFBMSA-N 1 0 482.032 4.311 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020800 721812829 /nfs/dbraw/zinc/81/28/29/721812829.db2.gz DCJSKYHBONVAMM-WEYGHZABSA-N 1 0 465.985 4.202 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C[C@H]21 ZINC001165024709 721815924 /nfs/dbraw/zinc/81/59/24/721815924.db2.gz KKBBENLJPFAICJ-DUXKGJEZSA-N 1 0 456.034 4.395 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)C[C@@H]21 ZINC001165030469 721822282 /nfs/dbraw/zinc/82/22/82/721822282.db2.gz ZGHHJNUWVKZBII-HFSMHLIXSA-N 1 0 477.613 4.437 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@@H]21 ZINC001165026377 721823427 /nfs/dbraw/zinc/82/34/27/721823427.db2.gz PDPRCNUASNKXOE-RIACCQAKSA-N 1 0 467.617 4.416 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@@H]21 ZINC001165029545 721828524 /nfs/dbraw/zinc/82/85/24/721828524.db2.gz XDDLBCPHJVNABT-PAUTXSKSSA-N 1 0 484.648 4.112 20 0 JIADRO CCOC(=O)c1cnc(-c2cccs2)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021533 721840308 /nfs/dbraw/zinc/84/03/08/721840308.db2.gz NSXMVLVLCGEGNW-UHFFFAOYSA-N 1 0 496.633 4.500 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3cc(OC)c(OC)cc3n2)CC1 ZINC001165022037 721842030 /nfs/dbraw/zinc/84/20/30/721842030.db2.gz NMEDVZZZQHJGJF-UHFFFAOYSA-N 1 0 451.567 4.370 20 0 JIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920795 721874544 /nfs/dbraw/zinc/87/45/44/721874544.db2.gz ANAWZTRZXWACSS-YADHBBJMSA-N 1 0 457.018 4.052 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940886 721927289 /nfs/dbraw/zinc/92/72/89/721927289.db2.gz VTZVXJBZEZMSRI-UHFFFAOYSA-N 1 0 479.408 4.140 20 0 JIADRO CN(CC1CC[NH+](C)CC1)[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165041385 721934857 /nfs/dbraw/zinc/93/48/57/721934857.db2.gz TVVIUWYYJXJKGV-QFIPXVFZSA-N 1 0 452.405 4.195 20 0 JIADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952522 722017012 /nfs/dbraw/zinc/01/70/12/722017012.db2.gz MTUWPSQJLNIGME-IBGZPJMESA-N 1 0 468.005 4.066 20 0 JIADRO O=C(c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1)N1CCCCC1 ZINC001164955695 722022313 /nfs/dbraw/zinc/02/23/13/722022313.db2.gz NQLSPDUEYSFIQU-UHFFFAOYSA-N 1 0 454.018 4.249 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001164962680 722025257 /nfs/dbraw/zinc/02/52/57/722025257.db2.gz QUMTUFSMEUSQCW-FNZWTVRRSA-N 1 0 495.697 4.298 20 0 JIADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959475 722054046 /nfs/dbraw/zinc/05/40/46/722054046.db2.gz KTZZQEVAHFDTOY-UHFFFAOYSA-N 1 0 479.984 4.404 20 0 JIADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963162 722057563 /nfs/dbraw/zinc/05/75/63/722057563.db2.gz HTUDKYYOTFXRSR-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164969782 722082418 /nfs/dbraw/zinc/08/24/18/722082418.db2.gz SNXKDGDVSCZZPY-SDHSZQHLSA-N 1 0 466.601 4.022 20 0 JIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164976524 722113360 /nfs/dbraw/zinc/11/33/60/722113360.db2.gz LSGMHYCGLGNIGM-IZZNHLLZSA-N 1 0 478.600 4.328 20 0 JIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164976514 722114032 /nfs/dbraw/zinc/11/40/32/722114032.db2.gz LSGMHYCGLGNIGM-CLJLJLNGSA-N 1 0 478.600 4.328 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981032 722118555 /nfs/dbraw/zinc/11/85/55/722118555.db2.gz SBWJTTNUAXDUPJ-HYBUGGRVSA-N 1 0 495.986 4.249 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972579 722135437 /nfs/dbraw/zinc/13/54/37/722135437.db2.gz AEJGGBNAVCAPBQ-DHLKQENFSA-N 1 0 464.997 4.436 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983771 722143408 /nfs/dbraw/zinc/14/34/08/722143408.db2.gz UUMFZCKIEFYKJW-NFBKMPQASA-N 1 0 485.966 4.464 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)n2)CCC3)s1 ZINC001164982052 722149816 /nfs/dbraw/zinc/14/98/16/722149816.db2.gz QVGWBIXKWMLMSX-NQIIRXRSSA-N 1 0 482.053 4.470 20 0 JIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973806 722152291 /nfs/dbraw/zinc/15/22/91/722152291.db2.gz MDLWZPKGXGQLIS-JXFKEZNVSA-N 1 0 459.928 4.343 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1 ZINC001164986768 722186278 /nfs/dbraw/zinc/18/62/78/722186278.db2.gz GLRBIJDHBPHOEJ-SMIHKQSGSA-N 1 0 455.672 4.263 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164986769 722186304 /nfs/dbraw/zinc/18/63/04/722186304.db2.gz GLRBIJDHBPHOEJ-TZRRMPRUSA-N 1 0 455.672 4.263 20 0 JIADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994060 722205301 /nfs/dbraw/zinc/20/53/01/722205301.db2.gz FBCDTKIWFYXNFQ-SANMLTNESA-N 1 0 468.573 4.237 20 0 JIADRO Cc1ccc(-c2nnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c3ccccc32)cc1 ZINC001165004081 722255919 /nfs/dbraw/zinc/25/59/19/722255919.db2.gz MTMXESFRYLOIKY-UHFFFAOYSA-N 1 0 456.594 4.290 20 0 JIADRO 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COc1ccccc1OCc1nnc(N2CCCCCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300651312 1069335437 /nfs/dbraw/zinc/33/54/37/1069335437.db2.gz WMEAQZLRBJBDKC-DEOSSOPVSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc(C)c1 ZINC001300651874 1069337446 /nfs/dbraw/zinc/33/74/46/1069337446.db2.gz GQFFXFRWKSAFAR-UHFFFAOYSA-N 1 0 455.628 4.204 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(C)(C)SC ZINC001300652198 1069339036 /nfs/dbraw/zinc/33/90/36/1069339036.db2.gz LXGIAGCWUQPCCS-UHFFFAOYSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1c(C)coc1C ZINC001300652369 1069339674 /nfs/dbraw/zinc/33/96/74/1069339674.db2.gz OGBGXXRBUGFSQT-UHFFFAOYSA-N 1 0 453.587 4.044 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001300659635 1069364854 /nfs/dbraw/zinc/36/48/54/1069364854.db2.gz DEEIWJIPKLLKIO-VQTJNVASSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300659607 1069364868 /nfs/dbraw/zinc/36/48/68/1069364868.db2.gz ZVVDUDAIHHLYIK-BDTNDASRSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCCCC1 ZINC001300660611 1069368993 /nfs/dbraw/zinc/36/89/93/1069368993.db2.gz KYMZZQZTZVGRJV-UHFFFAOYSA-N 1 0 478.641 4.437 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300668718 1069394953 /nfs/dbraw/zinc/39/49/53/1069394953.db2.gz LBRBJJXOWCDKNU-RBUKOAKNSA-N 1 0 461.701 4.253 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001300670324 1069401046 /nfs/dbraw/zinc/40/10/46/1069401046.db2.gz SBPRSSIUENBEHX-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOC(C)(C)C ZINC001300670744 1069403119 /nfs/dbraw/zinc/40/31/19/1069403119.db2.gz WVONEURIFYCTOH-RBUKOAKNSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300672868 1069411837 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CC(C)c1csc([C@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001359669458 1070310059 /nfs/dbraw/zinc/31/00/59/1070310059.db2.gz MHVGEKKPUIPJDY-SFHVURJKSA-N 1 0 454.648 4.039 20 0 JIADRO CC(C)c1csc(Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)n1 ZINC001359671536 1070316850 /nfs/dbraw/zinc/31/68/50/1070316850.db2.gz TVLBYTHEKQRNEX-UHFFFAOYSA-N 1 0 473.735 4.199 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC001359673703 1070323732 /nfs/dbraw/zinc/32/37/32/1070323732.db2.gz LGWSMAWBGGWGKF-IBGZPJMESA-N 1 0 481.004 4.439 20 0 JIADRO CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CC(C)(C)C[NH+](C)C)CCO2)o1 ZINC001359675005 1070327298 /nfs/dbraw/zinc/32/72/98/1070327298.db2.gz CCCSTGHIGJGRCX-LJQANCHMSA-N 1 0 488.036 4.271 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCC2)cn1 ZINC001359675225 1070328046 /nfs/dbraw/zinc/32/80/46/1070328046.db2.gz HKBBROSIMUCKBY-UHFFFAOYSA-N 1 0 461.658 4.488 20 0 JIADRO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CC[N@H+](C)C1CCCCC1 ZINC001359678399 1070333436 /nfs/dbraw/zinc/33/34/36/1070333436.db2.gz FDLNPXWITOQCOC-OAQYLSRUSA-N 1 0 454.663 4.322 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359676354 1070330603 /nfs/dbraw/zinc/33/06/03/1070330603.db2.gz GYAZDKBUKHCUAH-ZCWHBTPQSA-N 1 0 487.714 4.371 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359691130 1070347737 /nfs/dbraw/zinc/34/77/37/1070347737.db2.gz CBBRSWDTEPHLBX-RXVVDRJESA-N 1 0 460.692 4.143 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359696079 1070354540 /nfs/dbraw/zinc/35/45/40/1070354540.db2.gz BBYXREODDVAPSO-RTBURBONSA-N 1 0 476.691 4.459 20 0 JIADRO CC(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1ccccc1C(F)(F)F ZINC001359697321 1070357414 /nfs/dbraw/zinc/35/74/14/1070357414.db2.gz OUBVMBLAZVAOLS-UHFFFAOYSA-N 1 0 465.564 4.212 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001359697560 1070357959 /nfs/dbraw/zinc/35/79/59/1070357959.db2.gz WYDNVORMAWGLAB-HXUWFJFHSA-N 1 0 450.672 4.261 20 0 JIADRO CC(C)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001359696155 1070354580 /nfs/dbraw/zinc/35/45/80/1070354580.db2.gz DGGUPLGPMWNFEB-OAQYLSRUSA-N 1 0 466.674 4.224 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359699439 1070361725 /nfs/dbraw/zinc/36/17/25/1070361725.db2.gz GHMUNDAAIDLEEA-NRFANRHFSA-N 1 0 467.662 4.457 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359706915 1070373350 /nfs/dbraw/zinc/37/33/50/1070373350.db2.gz JHCOEZXKGUYNAW-NRFANRHFSA-N 1 0 474.694 4.359 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359711791 1070380076 /nfs/dbraw/zinc/38/00/76/1070380076.db2.gz SXTGIJQUXGZZKC-QHCPKHFHSA-N 1 0 458.695 4.141 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001359709170 1070378322 /nfs/dbraw/zinc/37/83/22/1070378322.db2.gz FVQIJCWVUPUWMA-HXUWFJFHSA-N 1 0 465.564 4.048 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359709972 1070378507 /nfs/dbraw/zinc/37/85/07/1070378507.db2.gz XNICDJYIDDANGP-OAQYLSRUSA-N 1 0 465.564 4.398 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315460417 1064273212 /nfs/dbraw/zinc/27/32/12/1064273212.db2.gz VIPQPWYCSNTSBY-XUZZJYLKSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001315471311 1064310460 /nfs/dbraw/zinc/31/04/60/1064310460.db2.gz VWKDMUGGUMBKAV-MHZLTWQESA-N 1 0 485.673 4.086 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@H+](C)C2CC2)c(OC)c1 ZINC001315473509 1064315786 /nfs/dbraw/zinc/31/57/86/1064315786.db2.gz JRNJQRILBRIELU-INIZCTEOSA-N 1 0 471.005 4.130 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC001315473469 1064315910 /nfs/dbraw/zinc/31/59/10/1064315910.db2.gz IVPVBWBPQQQVED-RTBURBONSA-N 1 0 482.604 4.012 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC001315475234 1064323482 /nfs/dbraw/zinc/32/34/82/1064323482.db2.gz LRGMRKABXDCHCB-NHCUHLMSSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001315477071 1064329891 /nfs/dbraw/zinc/32/98/91/1064329891.db2.gz VXOSDYARFAYIBM-GMAHTHKFSA-N 1 0 455.647 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC001315480067 1064338590 /nfs/dbraw/zinc/33/85/90/1064338590.db2.gz BSIGETZTUULQDM-PMACEKPBSA-N 1 0 473.637 4.294 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC001315481251 1064342159 /nfs/dbraw/zinc/34/21/59/1064342159.db2.gz ZOMAARHZSVOYNI-BGYRXZFFSA-N 1 0 485.673 4.249 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c(OC)c1OC ZINC001315498518 1064393406 /nfs/dbraw/zinc/39/34/06/1064393406.db2.gz LFEYKMRGIBUNDD-UHFFFAOYSA-N 1 0 485.673 4.396 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC(F)F ZINC001315498524 1064393561 /nfs/dbraw/zinc/39/35/61/1064393561.db2.gz LGZMSRDDXJIJDT-FUHWJXTLSA-N 1 0 463.573 4.198 20 0 JIADRO COc1ccc(Cn2c(CC3CC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC001315502868 1064407140 /nfs/dbraw/zinc/40/71/40/1064407140.db2.gz DUDJGOFUMDOJKC-UHFFFAOYSA-N 1 0 451.537 4.227 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315511019 1064444243 /nfs/dbraw/zinc/44/42/43/1064444243.db2.gz HXSUGKKBLMIZPZ-GOSISDBHSA-N 1 0 473.021 4.073 20 0 JIADRO COc1ccc(OC2CCN(c3nnc([C@H]4CCCO4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001315523591 1064494808 /nfs/dbraw/zinc/49/48/08/1064494808.db2.gz QXFDIQYOUTWFCJ-XMMPIXPASA-N 1 0 471.646 4.305 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001315529203 1064510407 /nfs/dbraw/zinc/51/04/07/1064510407.db2.gz IOAJKEPFVBVOHD-UGKGYDQZSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCC[C@H](SC)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001315530283 1064513458 /nfs/dbraw/zinc/51/34/58/1064513458.db2.gz CQGRIONKCVGCSI-REWPJTCUSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H]3c3ccc(C)o3)n2CC[N@H+](C)C(C)C)cc1 ZINC001315531421 1064516381 /nfs/dbraw/zinc/51/63/81/1064516381.db2.gz YNAZNYBAUOGPFZ-QFIPXVFZSA-N 1 0 453.587 4.449 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCSC(C)C)cc1 ZINC001315531524 1064516982 /nfs/dbraw/zinc/51/69/82/1064516982.db2.gz HZQJVNXCOSXKGU-UHFFFAOYSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001315532895 1064520306 /nfs/dbraw/zinc/52/03/06/1064520306.db2.gz CUJNOTCUTCEAEI-LEWJYISDSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001315533951 1064521932 /nfs/dbraw/zinc/52/19/32/1064521932.db2.gz ICZLZEVENIVXCI-AJTFRIOCSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001315533956 1064522587 /nfs/dbraw/zinc/52/25/87/1064522587.db2.gz ICZLZEVENIVXCI-CUNXSJBXSA-N 1 0 485.673 4.383 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315534705 1064523048 /nfs/dbraw/zinc/52/30/48/1064523048.db2.gz UZCBGEIUVWRENM-DNQXCXABSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315536721 1064528652 /nfs/dbraw/zinc/52/86/52/1064528652.db2.gz XTKZHDPAXUBMHB-QHAWAJNXSA-N 1 0 473.687 4.316 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315546452 1064554125 /nfs/dbraw/zinc/55/41/25/1064554125.db2.gz IAPRHONASATWCQ-KNQAVFIVSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N(C)CC2CCOCC2)[NH+]2CCCC2)c1 ZINC001315546856 1064555384 /nfs/dbraw/zinc/55/53/84/1064555384.db2.gz KKIHZFWQONUXKQ-XMMPIXPASA-N 1 0 455.647 4.185 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3CCSC(C)C)CC2)c1 ZINC001315546861 1064555796 /nfs/dbraw/zinc/55/57/96/1064555796.db2.gz YHJGKHZULBCKIS-FQEVSTJZSA-N 1 0 466.655 4.374 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315547430 1064556752 /nfs/dbraw/zinc/55/67/52/1064556752.db2.gz ADELTPSYJOEOHO-QHCPKHFHSA-N 1 0 462.623 4.273 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CC[C@@H](C4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548478 1064560349 /nfs/dbraw/zinc/56/03/49/1064560349.db2.gz JNEFCEBHOYYSSE-FYYLOGMGSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(Cl)=C(Cl)C2)[NH+](C)C)c1 ZINC001315549107 1064563314 /nfs/dbraw/zinc/56/33/14/1064563314.db2.gz PNXJPLRIUDHEKU-JOCHJYFZSA-N 1 0 487.435 4.475 20 0 JIADRO 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COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001315553456 1064570944 /nfs/dbraw/zinc/57/09/44/1064570944.db2.gz CRBPYIPZUPYYPP-LEWJYISDSA-N 1 0 455.628 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315553889 1064571526 /nfs/dbraw/zinc/57/15/26/1064571526.db2.gz LUTBZOLLLXDXDU-OFNKIYASSA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001315553980 1064571872 /nfs/dbraw/zinc/57/18/72/1064571872.db2.gz NPLYKIQALACRMN-NZQKXSOJSA-N 1 0 498.672 4.035 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCc3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315557969 1064579284 /nfs/dbraw/zinc/57/92/84/1064579284.db2.gz YEPSUYBXNGHYJT-SFTDATJTSA-N 1 0 477.657 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cccc(Br)n2)c1 ZINC001315562232 1064588386 /nfs/dbraw/zinc/58/83/86/1064588386.db2.gz BZWOMPNDQRXJLU-UHFFFAOYSA-N 1 0 485.430 4.080 20 0 JIADRO 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COc1ccccc1C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001315617489 1064745919 /nfs/dbraw/zinc/74/59/19/1064745919.db2.gz RAUJIZQLIJOOCT-QFIPXVFZSA-N 1 0 482.717 4.113 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315617298 1064746733 /nfs/dbraw/zinc/74/67/33/1064746733.db2.gz DLMLXNPLIRMJCK-FYYLOGMGSA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315617707 1064747633 /nfs/dbraw/zinc/74/76/33/1064747633.db2.gz FYACOHKOXBBHIS-FGZHOGPDSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)on2)n1CC1([NH+](C)C)CCCCC1 ZINC001315618411 1064750022 /nfs/dbraw/zinc/75/00/22/1064750022.db2.gz OAZHUIJBHPXYSC-UHFFFAOYSA-N 1 0 452.603 4.075 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001315619009 1064751122 /nfs/dbraw/zinc/75/11/22/1064751122.db2.gz OMDCCGGIRHLUPO-UHFFFAOYSA-N 1 0 468.671 4.277 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1(SC)CC[NH+](C)CC1 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HMJKSYQEMGUZGR-UHFFFAOYSA-N 1 0 455.628 4.449 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315666071 1064881302 /nfs/dbraw/zinc/88/13/02/1064881302.db2.gz VLPUPXFWSDQDBG-WOJBJXKFSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCOC(C)(C)C ZINC001315667415 1064887012 /nfs/dbraw/zinc/88/70/12/1064887012.db2.gz ZOAAMBFINGWUEV-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)C[NH+](C)C ZINC001315667952 1064889483 /nfs/dbraw/zinc/88/94/83/1064889483.db2.gz RPONYDPFLJEBBG-XMMPIXPASA-N 1 0 461.676 4.172 20 0 JIADRO COc1ncccc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315674558 1064908903 /nfs/dbraw/zinc/90/89/03/1064908903.db2.gz OVXJRPQMIQRCMU-UHFFFAOYSA-N 1 0 492.668 4.482 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001315683958 1064932705 /nfs/dbraw/zinc/93/27/05/1064932705.db2.gz RHBBBKVWSQDMGF-UHFFFAOYSA-N 1 0 476.065 4.494 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685008 1064934456 /nfs/dbraw/zinc/93/44/56/1064934456.db2.gz FIISKTORNUDZFD-XQBPLPMBSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315686008 1064937236 /nfs/dbraw/zinc/93/72/36/1064937236.db2.gz SEVCIBVIWYEVPV-UWJYYQICSA-N 1 0 450.002 4.331 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001315688228 1064940361 /nfs/dbraw/zinc/94/03/61/1064940361.db2.gz BKXQWYYIXNWKFO-SXWKCWPCSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315694134 1064953650 /nfs/dbraw/zinc/95/36/50/1064953650.db2.gz QASKVHRCIRWHOI-OFNKIYASSA-N 1 0 473.637 4.370 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2C)CC1 ZINC001315703709 1064968955 /nfs/dbraw/zinc/96/89/55/1064968955.db2.gz FBLCERBPAIXHEJ-OAQYLSRUSA-N 1 0 455.647 4.352 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001315703933 1064969465 /nfs/dbraw/zinc/96/94/65/1064969465.db2.gz HICMWMNUFPCMQS-HSZRJFAPSA-N 1 0 499.700 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(F)(F)F)CC1 ZINC001315704031 1064970195 /nfs/dbraw/zinc/97/01/95/1064970195.db2.gz DYTIOMLLARJNRW-UHFFFAOYSA-N 1 0 496.578 4.035 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC2CC2)CC1 ZINC001315704633 1064971955 /nfs/dbraw/zinc/97/19/55/1064971955.db2.gz HVYWWJMQXZYEQE-UHFFFAOYSA-N 1 0 479.467 4.161 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001315705768 1064975481 /nfs/dbraw/zinc/97/54/81/1064975481.db2.gz SZNQYEVNZDFTLX-IBGZPJMESA-N 1 0 489.627 4.304 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315706943 1064980029 /nfs/dbraw/zinc/98/00/29/1064980029.db2.gz GFVCZMCXAQMPJM-RTWAWAEBSA-N 1 0 494.105 4.196 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001315707443 1064981465 /nfs/dbraw/zinc/98/14/65/1064981465.db2.gz YNPUFVLZYNPLOX-HXUWFJFHSA-N 1 0 476.065 4.493 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001315709088 1064985368 /nfs/dbraw/zinc/98/53/68/1064985368.db2.gz ZVWHQKFRGBAHGX-JOCHJYFZSA-N 1 0 457.663 4.358 20 0 JIADRO COC1CC[NH+](C2(Cn3c(-c4ccc(Cl)nc4)nnc3N(C)CC(F)(F)F)CCCC2)CC1 ZINC001315710548 1064986600 /nfs/dbraw/zinc/98/66/00/1064986600.db2.gz XJBPNKKPJKLJKY-UHFFFAOYSA-N 1 0 486.970 4.416 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)[NH+](C)C)CC1(C)C ZINC001315712381 1064993518 /nfs/dbraw/zinc/99/35/18/1064993518.db2.gz KJMGQKZPKRMFFD-LPHOPBHVSA-N 1 0 454.644 4.188 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[C@H]1C ZINC001315713455 1064998918 /nfs/dbraw/zinc/99/89/18/1064998918.db2.gz GLAGNQBFOSXBQP-MAODMQOUSA-N 1 0 472.996 4.297 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC[C@H]1C ZINC001315714368 1065002060 /nfs/dbraw/zinc/00/20/60/1065002060.db2.gz PTNKLBMJXMALAQ-FAKFISEUSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+](C(C)C)C(C)C)CC1(C)C ZINC001315718120 1065010996 /nfs/dbraw/zinc/01/09/96/1065010996.db2.gz ZCACXLUXHALOBV-LJQANCHMSA-N 1 0 481.483 4.406 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001315719808 1065014439 /nfs/dbraw/zinc/01/44/39/1065014439.db2.gz UFVWICIABPZYIU-ZJSXRUAMSA-N 1 0 483.701 4.339 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001315728430 1065024585 /nfs/dbraw/zinc/02/45/85/1065024585.db2.gz HCHQKWKRMRRJEU-XUZZJYLKSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001315732602 1065030921 /nfs/dbraw/zinc/03/09/21/1065030921.db2.gz DBUWRRJJHYEPKI-FYYLOGMGSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1(C)C ZINC001315739526 1065046335 /nfs/dbraw/zinc/04/63/35/1065046335.db2.gz BKNXSPHRFAGAJH-FQEVSTJZSA-N 1 0 480.440 4.287 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@H]1C ZINC001315739589 1065047134 /nfs/dbraw/zinc/04/71/34/1065047134.db2.gz BVAPTLHKBHJUGB-GXRSIYKFSA-N 1 0 461.695 4.180 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315742650 1065052409 /nfs/dbraw/zinc/05/24/09/1065052409.db2.gz QGALJSKCIKEDTA-SIKLNZKXSA-N 1 0 476.065 4.494 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315771456 1065092861 /nfs/dbraw/zinc/09/28/61/1065092861.db2.gz YOJLMNKIIXKWDM-OAQYLSRUSA-N 1 0 455.647 4.149 20 0 JIADRO COC[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001315778570 1065107325 /nfs/dbraw/zinc/10/73/25/1065107325.db2.gz SANVQOXVJCSXPN-VSKRKVRLSA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC001315795863 1065142197 /nfs/dbraw/zinc/14/21/97/1065142197.db2.gz NFRBNJACALRUNI-QFIPXVFZSA-N 1 0 480.657 4.020 20 0 JIADRO COC[C@@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315811047 1065157307 /nfs/dbraw/zinc/15/73/07/1065157307.db2.gz DBEGUYMYOMMIKP-CTNGQTDRSA-N 1 0 489.636 4.036 20 0 JIADRO COC[C@@H](F)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001315811383 1065158775 /nfs/dbraw/zinc/15/87/75/1065158775.db2.gz GNVPDFSVOPAODD-NRFANRHFSA-N 1 0 489.636 4.180 20 0 JIADRO COC[C@@H](F)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315811670 1065158939 /nfs/dbraw/zinc/15/89/39/1065158939.db2.gz DJGCMSLPYKFJOK-HKUYNNGSSA-N 1 0 463.667 4.427 20 0 JIADRO COC[C@@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315811896 1065160330 /nfs/dbraw/zinc/16/03/30/1065160330.db2.gz GADPPZJAJHVKCT-HNNXBMFYSA-N 1 0 486.455 4.208 20 0 JIADRO COCC1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315831024 1065195217 /nfs/dbraw/zinc/19/52/17/1065195217.db2.gz IBDWVFSVOXLVPI-DNVJHFABSA-N 1 0 461.695 4.183 20 0 JIADRO COCC1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001315831827 1065196565 /nfs/dbraw/zinc/19/65/65/1065196565.db2.gz SKTWGAJLUVTNSR-UHFFFAOYSA-N 1 0 457.663 4.108 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3ccncc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001315832934 1065200835 /nfs/dbraw/zinc/20/08/35/1065200835.db2.gz MMDSNPXSBPPVFG-UHFFFAOYSA-N 1 0 454.663 4.029 20 0 JIADRO COCC1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001315835270 1065209304 /nfs/dbraw/zinc/20/93/04/1065209304.db2.gz WSGBCINQBYEDJB-XMMPIXPASA-N 1 0 453.675 4.437 20 0 JIADRO COCC1(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC001315839570 1065220241 /nfs/dbraw/zinc/22/02/41/1065220241.db2.gz IQOBKJKQZVUEHE-UHFFFAOYSA-N 1 0 496.700 4.114 20 0 JIADRO COCC1(CCn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCCC1 ZINC001315841951 1065225785 /nfs/dbraw/zinc/22/57/85/1065225785.db2.gz YAVPKQYXBAHRKY-DNQXCXABSA-N 1 0 488.765 4.458 20 0 JIADRO COCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001315850491 1065244851 /nfs/dbraw/zinc/24/48/51/1065244851.db2.gz BZYOVRCCSQWBNA-NHCUHLMSSA-N 1 0 461.695 4.324 20 0 JIADRO COCC1=CCN(c2nnc(Cc3ccccc3F)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315867835 1065286489 /nfs/dbraw/zinc/28/64/89/1065286489.db2.gz WJKJDPZMQRMSMF-OAQYLSRUSA-N 1 0 455.622 4.446 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001315870044 1065293738 /nfs/dbraw/zinc/29/37/38/1065293738.db2.gz YSGBMZIANXUXHA-UHFFFAOYSA-N 1 0 453.631 4.213 20 0 JIADRO COCc1nc(Cn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC001315870949 1065296100 /nfs/dbraw/zinc/29/61/00/1065296100.db2.gz DTFUESHKSPKVPL-UHFFFAOYSA-N 1 0 482.698 4.385 20 0 JIADRO COCc1nc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)cs1 ZINC001315873490 1065301002 /nfs/dbraw/zinc/30/10/02/1065301002.db2.gz JTUKNQNTDOUMQJ-UHFFFAOYSA-N 1 0 484.670 4.046 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315882303 1065322426 /nfs/dbraw/zinc/32/24/26/1065322426.db2.gz RZZUBADYUQWTIW-HSZRJFAPSA-N 1 0 469.674 4.417 20 0 JIADRO COC[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001315888850 1065343063 /nfs/dbraw/zinc/34/30/63/1065343063.db2.gz DNTHXHMQSXQCTJ-PMACEKPBSA-N 1 0 491.677 4.247 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001315888853 1065343618 /nfs/dbraw/zinc/34/36/18/1065343618.db2.gz DNTHXHMQSXQCTJ-WOJBJXKFSA-N 1 0 491.677 4.247 20 0 JIADRO COC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001315896888 1065364548 /nfs/dbraw/zinc/36/45/48/1065364548.db2.gz SXPVBWICHQGGGW-GGAORHGYSA-N 1 0 462.642 4.256 20 0 JIADRO 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CS[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC(C)(C)C1 ZINC001316388508 1066160611 /nfs/dbraw/zinc/16/06/11/1066160611.db2.gz VRFIZNRFYOVOTP-OAQYLSRUSA-N 1 0 456.704 4.021 20 0 JIADRO CS[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC001316396571 1066173571 /nfs/dbraw/zinc/17/35/71/1066173571.db2.gz UNMMXFPLMMPAOI-VXKWHMMOSA-N 1 0 473.735 4.230 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316397306 1066175000 /nfs/dbraw/zinc/17/50/00/1066175000.db2.gz CSKHMBPJEWAGTO-VQTJNVASSA-N 1 0 494.750 4.359 20 0 JIADRO CSC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cscn2)CC[NH+](C)CC1 ZINC001316398804 1066176513 /nfs/dbraw/zinc/17/65/13/1066176513.db2.gz FOKQTKHWWYWYKI-UHFFFAOYSA-N 1 0 499.710 4.068 20 0 JIADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316402511 1066181130 /nfs/dbraw/zinc/18/11/30/1066181130.db2.gz QWAZUMVPYSWIEO-IRXDYDNUSA-N 1 0 450.052 4.040 20 0 JIADRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC[NH+](C)CC1 ZINC001316403005 1066182381 /nfs/dbraw/zinc/18/23/81/1066182381.db2.gz FSZOIFXTDQYTDV-UHFFFAOYSA-N 1 0 496.681 4.366 20 0 JIADRO CSC1(Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)CC[NH+](C)CC1 ZINC001316403849 1066185597 /nfs/dbraw/zinc/18/55/97/1066185597.db2.gz ATSZWWZXCBZQCL-QGZVFWFLSA-N 1 0 464.079 4.430 20 0 JIADRO CSC1(Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316404728 1066186776 /nfs/dbraw/zinc/18/67/76/1066186776.db2.gz PUXKUDNZBUEIDX-WAUFSOIDSA-N 1 0 498.722 4.102 20 0 JIADRO CSC1(Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](C)C2)CC[NH+](C)CC1 ZINC001316410581 1066198637 /nfs/dbraw/zinc/19/86/37/1066198637.db2.gz XQLYAIJUAGPMRJ-IBGZPJMESA-N 1 0 461.651 4.450 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NCC3CC[NH+](Cc4ccc(OC)cc4)CC3)c2)n1 ZINC001324631686 1066225158 /nfs/dbraw/zinc/22/51/58/1066225158.db2.gz LOBILKOIYZKDRJ-UHFFFAOYSA-N 1 0 491.592 4.091 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001316422682 1066231804 /nfs/dbraw/zinc/23/18/04/1066231804.db2.gz APFDYGCWYKQVPA-UHFFFAOYSA-N 1 0 499.754 4.018 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001316423513 1066236227 /nfs/dbraw/zinc/23/62/27/1066236227.db2.gz NXVDUAAIESYLQM-WBVHZDCISA-N 1 0 467.481 4.242 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001492498949 1066242019 /nfs/dbraw/zinc/24/20/19/1066242019.db2.gz YDIKQYXEOGCMSB-DEOSSOPVSA-N 1 0 476.604 4.077 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001316425979 1066244825 /nfs/dbraw/zinc/24/48/25/1066244825.db2.gz KUMXUKALFQPKRA-RTBURBONSA-N 1 0 453.722 4.069 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001316428686 1066256420 /nfs/dbraw/zinc/25/64/20/1066256420.db2.gz QRYTXGBTIXHUIN-HSZRJFAPSA-N 1 0 468.646 4.257 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492499584 1066259118 /nfs/dbraw/zinc/25/91/18/1066259118.db2.gz SJBSLNMNKDUWEJ-UHFFFAOYSA-N 1 0 457.420 4.388 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316429325 1066259921 /nfs/dbraw/zinc/25/99/21/1066259921.db2.gz DFMZAEZIYMZHLJ-ICSRJNTNSA-N 1 0 490.743 4.112 20 0 JIADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCOCC2)C1 ZINC001316429839 1066262685 /nfs/dbraw/zinc/26/26/85/1066262685.db2.gz GRZHMCCOGFCPQN-BHDDXSALSA-N 1 0 479.735 4.031 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001316430679 1066266429 /nfs/dbraw/zinc/26/64/29/1066266429.db2.gz PTLVUNCFBMGFNM-PKTZIBPZSA-N 1 0 485.677 4.304 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001316440035 1066298076 /nfs/dbraw/zinc/29/80/76/1066298076.db2.gz SQAFFXZRDLXBKY-ONTIZHBOSA-N 1 0 456.704 4.352 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316442404 1066304778 /nfs/dbraw/zinc/30/47/78/1066304778.db2.gz LCQDFRGNSZYKJT-NSHGMRRFSA-N 1 0 478.732 4.139 20 0 JIADRO CSC[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001316442388 1066304857 /nfs/dbraw/zinc/30/48/57/1066304857.db2.gz KWHOHPQMDPEQEX-QHAWAJNXSA-N 1 0 494.750 4.499 20 0 JIADRO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)c2c1 ZINC001326916998 1066306321 /nfs/dbraw/zinc/30/63/21/1066306321.db2.gz VKSLECSXCCSHOU-UHFFFAOYSA-N 1 0 465.601 4.283 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316443689 1066308621 /nfs/dbraw/zinc/30/86/21/1066308621.db2.gz ZQEIQYWFJMDLGV-FQEVSTJZSA-N 1 0 494.105 4.078 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001316444055 1066310148 /nfs/dbraw/zinc/31/01/48/1066310148.db2.gz VWVBAMQVCXZVKA-DENIHFKCSA-N 1 0 459.704 4.158 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[NH+]1CCC(C)CC1 ZINC001316444221 1066311001 /nfs/dbraw/zinc/31/10/01/1066311001.db2.gz AHBBQSHCRZRHJX-IBGZPJMESA-N 1 0 459.660 4.026 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492503062 1066312399 /nfs/dbraw/zinc/31/23/99/1066312399.db2.gz SSPWGASMFKCODP-JOCHJYFZSA-N 1 0 461.639 4.477 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001492503536 1066316088 /nfs/dbraw/zinc/31/60/88/1066316088.db2.gz LTOKXHWGPHRRMG-NRFANRHFSA-N 1 0 499.059 4.318 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+](C)C ZINC001316445744 1066316166 /nfs/dbraw/zinc/31/61/66/1066316166.db2.gz QXTQGNUKGIWIFF-HNNXBMFYSA-N 1 0 471.513 4.212 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492505733 1066324216 /nfs/dbraw/zinc/32/42/16/1066324216.db2.gz DZKNHEZZKDXVOD-DZFGPLHGSA-N 1 0 480.579 4.315 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492506678 1066327775 /nfs/dbraw/zinc/32/77/75/1066327775.db2.gz LNMADJLPFVLNJV-UGKGYDQZSA-N 1 0 485.677 4.117 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492508631 1066334831 /nfs/dbraw/zinc/33/48/31/1066334831.db2.gz WGDOBIDDQNRKBL-NTKDMRAZSA-N 1 0 494.606 4.443 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)COc3ccc(Cl)cc3Br)C2)ccn1 ZINC001329440757 1066339180 /nfs/dbraw/zinc/33/91/80/1066339180.db2.gz FKPIZAWMBXYFTK-IBGZPJMESA-N 1 0 496.833 4.396 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001492509926 1066339938 /nfs/dbraw/zinc/33/99/38/1066339938.db2.gz BOXKSYGQMFWMDB-UHFFFAOYSA-N 1 0 483.661 4.018 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492510464 1066341081 /nfs/dbraw/zinc/34/10/81/1066341081.db2.gz RRTQDOZCNNSINK-FQEVSTJZSA-N 1 0 483.661 4.016 20 0 JIADRO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454750 1066341672 /nfs/dbraw/zinc/34/16/72/1066341672.db2.gz UZIFHBHRWQLRKW-RCZVLFRGSA-N 1 0 498.741 4.247 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492511496 1066344965 /nfs/dbraw/zinc/34/49/65/1066344965.db2.gz ADWKLHUWLPNIAC-OAQYLSRUSA-N 1 0 480.579 4.174 20 0 JIADRO CSCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001316457970 1066348470 /nfs/dbraw/zinc/34/84/70/1066348470.db2.gz AHCGRDLAIJBITA-QFIPXVFZSA-N 1 0 470.687 4.355 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001492512029 1066349303 /nfs/dbraw/zinc/34/93/03/1066349303.db2.gz SZALYDVXKSXUKH-PGUFJCEWSA-N 1 0 494.709 4.132 20 0 JIADRO CSCCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316458764 1066350113 /nfs/dbraw/zinc/35/01/13/1066350113.db2.gz KOTDMLBSDLPJQN-UHFFFAOYSA-N 1 0 450.052 4.043 20 0 JIADRO CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001316460882 1066356388 /nfs/dbraw/zinc/35/63/88/1066356388.db2.gz GNMMOWDTRAHMTK-HXUWFJFHSA-N 1 0 459.708 4.303 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492514857 1066357474 /nfs/dbraw/zinc/35/74/74/1066357474.db2.gz VWWGNZBLTSPGFL-RBBKRZOGSA-N 1 0 497.688 4.122 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001331299330 1066357820 /nfs/dbraw/zinc/35/78/20/1066357820.db2.gz GAVWYLMBXDKQKD-HXUWFJFHSA-N 1 0 478.456 4.456 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492515991 1066363352 /nfs/dbraw/zinc/36/33/52/1066363352.db2.gz MOGQXPWZRCEQCE-BAGYTPMASA-N 1 0 497.688 4.262 20 0 JIADRO CSCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001316464276 1066363393 /nfs/dbraw/zinc/36/33/93/1066363393.db2.gz XDLDWDPYSHOFDH-NRFANRHFSA-N 1 0 494.750 4.456 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001316470889 1066377257 /nfs/dbraw/zinc/37/72/57/1066377257.db2.gz PENNRHIMOZOAMN-RBUKOAKNSA-N 1 0 480.723 4.065 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492518707 1066380420 /nfs/dbraw/zinc/38/04/20/1066380420.db2.gz OAMJSPUQJNTBRJ-PKOBYXMFSA-N 1 0 493.603 4.086 20 0 JIADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316474799 1066384250 /nfs/dbraw/zinc/38/42/50/1066384250.db2.gz NZMQSNWJIBCXPI-UHFFFAOYSA-N 1 0 469.497 4.110 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333165629 1066384563 /nfs/dbraw/zinc/38/45/63/1066384563.db2.gz HTTJAUQXYIOUEV-GOTSBHOMSA-N 1 0 473.459 4.403 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492520334 1066385056 /nfs/dbraw/zinc/38/50/56/1066385056.db2.gz KUCKDKRXHMODJS-JOCHJYFZSA-N 1 0 455.006 4.220 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)C2)c1 ZINC001492523303 1066394323 /nfs/dbraw/zinc/39/43/23/1066394323.db2.gz NNVCZJZYGGNCDD-AIUHUKMKSA-N 1 0 466.674 4.229 20 0 JIADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@H](C)C3)C2)c1 ZINC001492523305 1066394509 /nfs/dbraw/zinc/39/45/09/1066394509.db2.gz NNVCZJZYGGNCDD-VBANMALSSA-N 1 0 466.674 4.229 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001316480582 1066395015 /nfs/dbraw/zinc/39/50/15/1066395015.db2.gz RCJWCPBSHDPDCR-IBGZPJMESA-N 1 0 453.610 4.355 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001492524393 1066397913 /nfs/dbraw/zinc/39/79/13/1066397913.db2.gz MXKGEVQAGVQMJM-UHFFFAOYSA-N 1 0 453.675 4.091 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316488088 1066413990 /nfs/dbraw/zinc/41/39/90/1066413990.db2.gz YKBFTVVBSBKMAP-OAQYLSRUSA-N 1 0 485.677 4.375 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C(F)(F)F ZINC001316491345 1066427370 /nfs/dbraw/zinc/42/73/70/1066427370.db2.gz VZBGONNPRRGVFK-IEBWSBKVSA-N 1 0 450.553 4.163 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1F ZINC001316492520 1066431061 /nfs/dbraw/zinc/43/10/61/1066431061.db2.gz NTLAXWJLXDIPOZ-AABGKKOBSA-N 1 0 478.657 4.409 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001316492492 1066431079 /nfs/dbraw/zinc/43/10/79/1066431079.db2.gz MTRAJXZSSFRWMS-OAQYLSRUSA-N 1 0 497.732 4.277 20 0 JIADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@H](C)C1(F)F ZINC001316495647 1066442292 /nfs/dbraw/zinc/44/22/92/1066442292.db2.gz FPWZVFSFVHSCCQ-JQVVWYNYSA-N 1 0 475.628 4.308 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCOC[C@H]1CCCO1 ZINC001316497793 1066451346 /nfs/dbraw/zinc/45/13/46/1066451346.db2.gz VBTPPDDMTRDTAL-ISKFKSNPSA-N 1 0 469.674 4.163 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)C1(F)F ZINC001316502193 1066464138 /nfs/dbraw/zinc/46/41/38/1066464138.db2.gz XIBFZZFSMHQADZ-NSHGMRRFSA-N 1 0 465.564 4.171 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001337326720 1066475005 /nfs/dbraw/zinc/47/50/05/1066475005.db2.gz GVLOQASXMPQLDU-UHFFFAOYSA-N 1 0 455.624 4.488 20 0 JIADRO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001337339455 1066475151 /nfs/dbraw/zinc/47/51/51/1066475151.db2.gz VFZHYOGONLLNSK-UHFFFAOYSA-N 1 0 494.455 4.232 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCCC1 ZINC001316505302 1066478373 /nfs/dbraw/zinc/47/83/73/1066478373.db2.gz PJKQSNZVZICQCD-INIZCTEOSA-N 1 0 479.467 4.304 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[NH+]1CCOCC1 ZINC001316508689 1066489034 /nfs/dbraw/zinc/48/90/34/1066489034.db2.gz YNGKDNMJLUJBCL-IBGZPJMESA-N 1 0 494.105 4.340 20 0 JIADRO FC(F)(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316509553 1066491479 /nfs/dbraw/zinc/49/14/79/1066491479.db2.gz WYUCDOAMSKBCEO-QGZVFWFLSA-N 1 0 483.405 4.420 20 0 JIADRO FC(F)(F)C1CCN(c2nnc(CCCc3ccccc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001316510939 1066495612 /nfs/dbraw/zinc/49/56/12/1066495612.db2.gz SVOZLIFDSGUDIU-UHFFFAOYSA-N 1 0 479.591 4.345 20 0 JIADRO FC(F)(F)CSCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316514506 1066506708 /nfs/dbraw/zinc/50/67/08/1066506708.db2.gz AWNRAEKWLOFLNO-GOSISDBHSA-N 1 0 461.598 4.127 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC(F)(F)C2)CC1 ZINC001316515236 1066509476 /nfs/dbraw/zinc/50/94/76/1066509476.db2.gz QRLQJFMQXJJVMX-UHFFFAOYSA-N 1 0 493.546 4.067 20 0 JIADRO FC(F)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)C1 ZINC001316515489 1066510253 /nfs/dbraw/zinc/51/02/53/1066510253.db2.gz AZJLMPGWYJTVPR-OAHLLOKOSA-N 1 0 471.394 4.393 20 0 JIADRO FC(F)(F)SCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001316517118 1066516581 /nfs/dbraw/zinc/51/65/81/1066516581.db2.gz JWNPGXGTIUZSQH-KRWDZBQOSA-N 1 0 459.607 4.496 20 0 JIADRO FC(F)CN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001316517812 1066518852 /nfs/dbraw/zinc/51/88/52/1066518852.db2.gz AMQLJRDQZZHYGP-UHFFFAOYSA-N 1 0 499.075 4.487 20 0 JIADRO O=C(Nc1cc(F)ccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC001338046295 1066526937 /nfs/dbraw/zinc/52/69/37/1066526937.db2.gz KRNCYSSIDVDXFZ-GOSISDBHSA-N 1 0 460.347 4.151 20 0 JIADRO Fc1ccc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001316522792 1066531216 /nfs/dbraw/zinc/53/12/16/1066531216.db2.gz HGUOKLHPQKIRLZ-UHFFFAOYSA-N 1 0 451.512 4.439 20 0 JIADRO FC(F)[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001316524009 1066534817 /nfs/dbraw/zinc/53/48/17/1066534817.db2.gz STENDUNLEXMXPJ-INIZCTEOSA-N 1 0 484.389 4.197 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001338306278 1066543708 /nfs/dbraw/zinc/54/37/08/1066543708.db2.gz GFLOVJPLUBRXPT-UHFFFAOYSA-N 1 0 457.500 4.368 20 0 JIADRO Cc1ccc([C@H](CNS(=O)(=O)Cc2ccc(Br)cc2F)[NH+]2CCCC2)cc1 ZINC001338449165 1066556552 /nfs/dbraw/zinc/55/65/52/1066556552.db2.gz ZRUPINSHCCETAM-FQEVSTJZSA-N 1 0 455.393 4.153 20 0 JIADRO COc1ccc(C[C@H](NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC001338575905 1066564717 /nfs/dbraw/zinc/56/47/17/1066564717.db2.gz UXAUVAHZHOJJFJ-VWLOTQADSA-N 1 0 488.632 4.239 20 0 JIADRO CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001338572883 1066565044 /nfs/dbraw/zinc/56/50/44/1066565044.db2.gz CDQKRENBNLGNGY-UHFFFAOYSA-N 1 0 489.620 4.414 20 0 JIADRO O=C(CC1(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCC1)N1CCOCC1 ZINC001339281782 1066575009 /nfs/dbraw/zinc/57/50/09/1066575009.db2.gz TWPCTGBRCYXTFN-UHFFFAOYSA-N 1 0 452.599 4.074 20 0 JIADRO O=C(Nc1ccccn1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCCC[NH+]1CCCCC1 ZINC001316559829 1066577050 /nfs/dbraw/zinc/57/70/50/1066577050.db2.gz IZZPFGMLOYBLNN-UHFFFAOYSA-N 1 0 492.455 4.481 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)c1C ZINC001492535569 1066585421 /nfs/dbraw/zinc/58/54/21/1066585421.db2.gz QHLNCZJMZOCLFT-HSZRJFAPSA-N 1 0 482.717 4.311 20 0 JIADRO Cc1ccc(CN(C)c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001492538233 1066604578 /nfs/dbraw/zinc/60/45/78/1066604578.db2.gz XDIJDIDNGUJYBN-UHFFFAOYSA-N 1 0 469.655 4.283 20 0 JIADRO OC1CC[NH+](CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(F)(F)CC2)CC1 ZINC001316584679 1066605052 /nfs/dbraw/zinc/60/50/52/1066605052.db2.gz JXGIHGXHYAIKPD-UHFFFAOYSA-N 1 0 474.383 4.334 20 0 JIADRO OCCCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316589282 1066618204 /nfs/dbraw/zinc/61/82/04/1066618204.db2.gz XFOKXIKHSPSYIB-UHFFFAOYSA-N 1 0 461.601 4.155 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492539283 1066624864 /nfs/dbraw/zinc/62/48/64/1066624864.db2.gz ICHOITMZGHDFPN-QHCPKHFHSA-N 1 0 455.647 4.293 20 0 JIADRO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(CN2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC001317705368 1066638154 /nfs/dbraw/zinc/63/81/54/1066638154.db2.gz YVCFZLANTRSJDV-TZIWHRDSSA-N 1 0 489.711 4.355 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001492541004 1066642789 /nfs/dbraw/zinc/64/27/89/1066642789.db2.gz AXZHHTHWMJVTRX-UHFFFAOYSA-N 1 0 467.658 4.459 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)c1 ZINC001492541485 1066649182 /nfs/dbraw/zinc/64/91/82/1066649182.db2.gz FZHGPOZCDQEWTQ-ZRZAMGCNSA-N 1 0 455.647 4.435 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001492541830 1066650733 /nfs/dbraw/zinc/65/07/33/1066650733.db2.gz PPGOQQHIZCSSER-JOCHJYFZSA-N 1 0 465.646 4.012 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001492543331 1066667452 /nfs/dbraw/zinc/66/74/52/1066667452.db2.gz IIAFCQSBVUABNU-FQEVSTJZSA-N 1 0 498.672 4.142 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC001347685766 1066685476 /nfs/dbraw/zinc/68/54/76/1066685476.db2.gz NZCKUJHGFHPXSG-UHFFFAOYSA-N 1 0 462.638 4.188 20 0 JIADRO O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001348058028 1066717282 /nfs/dbraw/zinc/71/72/82/1066717282.db2.gz DNKADWUIOMNGJQ-UHFFFAOYSA-N 1 0 455.624 4.490 20 0 JIADRO Cc1cc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317845616 1066728444 /nfs/dbraw/zinc/72/84/44/1066728444.db2.gz IKKFIMCDSGDECM-UHFFFAOYSA-N 1 0 456.034 4.140 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001492545700 1066756515 /nfs/dbraw/zinc/75/65/15/1066756515.db2.gz NYNKZBVPUCSLRG-DEOSSOPVSA-N 1 0 499.700 4.185 20 0 JIADRO O=C(Nc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)C1CC1 ZINC001317889449 1066758898 /nfs/dbraw/zinc/75/88/98/1066758898.db2.gz NQCUOLSNJGPBLS-UHFFFAOYSA-N 1 0 474.527 4.471 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546412 1066773326 /nfs/dbraw/zinc/77/33/26/1066773326.db2.gz VSJRKFPZJGBZHI-DNQXCXABSA-N 1 0 496.700 4.171 20 0 JIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001317904791 1066774478 /nfs/dbraw/zinc/77/44/78/1066774478.db2.gz YOAQCRKIXSTQNW-KRWDZBQOSA-N 1 0 457.347 4.168 20 0 JIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cc(Br)ccc1N1CCOCC1 ZINC001317917135 1066785297 /nfs/dbraw/zinc/78/52/97/1066785297.db2.gz OONGBGRPEMKNAZ-UHFFFAOYSA-N 1 0 473.415 4.203 20 0 JIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001348898368 1066787219 /nfs/dbraw/zinc/78/72/19/1066787219.db2.gz HIZLMSSDBQSQOY-XMMPIXPASA-N 1 0 460.578 4.336 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c(F)cccc1I ZINC001349000570 1066797860 /nfs/dbraw/zinc/79/78/60/1066797860.db2.gz WVDLTLZMNZKBED-UHFFFAOYSA-N 1 0 452.311 4.346 20 0 JIADRO CC(C)(C)[NH+]1CCN(Cn2nc(-c3ccccc3)n(Cc3ccc4c(c3)OCO4)c2=S)CC1 ZINC001317946823 1066804757 /nfs/dbraw/zinc/80/47/57/1066804757.db2.gz VWSIHORAOZUHMM-UHFFFAOYSA-N 1 0 465.623 4.232 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)nc4ccc(Br)cn43)c(C)c2)CC1 ZINC001349140417 1066813539 /nfs/dbraw/zinc/81/35/39/1066813539.db2.gz FEYOFPGEZTYRPL-UHFFFAOYSA-N 1 0 456.388 4.108 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC001349230723 1066822341 /nfs/dbraw/zinc/82/23/41/1066822341.db2.gz XBICOBCCBZSYLZ-QGFLDLQWSA-N 1 0 451.592 4.462 20 0 JIADRO COc1ccc(N2C(=O)CC[C@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)[C@@H]2c2ccccc2OC)cc1 ZINC001317980059 1066829849 /nfs/dbraw/zinc/82/98/49/1066829849.db2.gz BZRSUOMFBABGGM-OZXSUGGESA-N 1 0 479.621 4.131 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001349392608 1066837080 /nfs/dbraw/zinc/83/70/80/1066837080.db2.gz SAJSGDXPILFKJD-UHFFFAOYSA-N 1 0 453.974 4.411 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001318000445 1066842744 /nfs/dbraw/zinc/84/27/44/1066842744.db2.gz GTHLZWKFTMQVKM-AOYPEHQESA-N 1 0 479.621 4.131 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c1 ZINC001492546787 1066852539 /nfs/dbraw/zinc/85/25/39/1066852539.db2.gz BPLHWEAVACTAPG-UHFFFAOYSA-N 1 0 498.672 4.099 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492546927 1066856017 /nfs/dbraw/zinc/85/60/17/1066856017.db2.gz IITNRSJNWDXLRX-FCHUYYIVSA-N 1 0 498.672 4.095 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001318034840 1066862679 /nfs/dbraw/zinc/86/26/79/1066862679.db2.gz YCUKTMCKJKXSFO-UHFFFAOYSA-N 1 0 468.451 4.397 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1 ZINC001318057663 1066876116 /nfs/dbraw/zinc/87/61/16/1066876116.db2.gz YBCJSDQTDUEDCW-UHFFFAOYSA-N 1 0 468.561 4.440 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(F)cc(Br)cc2F)cc1 ZINC001349755202 1066881246 /nfs/dbraw/zinc/88/12/46/1066881246.db2.gz PGDYMZSUWSAKPQ-UHFFFAOYSA-N 1 0 454.315 4.051 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)(C(F)(F)F)C1 ZINC001349792224 1066883679 /nfs/dbraw/zinc/88/36/79/1066883679.db2.gz DWNGYFGDVFCUPH-KKSFZXQISA-N 1 0 459.509 4.112 20 0 JIADRO CN(C(=O)COc1ccc(Cl)cc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC001318080965 1066889467 /nfs/dbraw/zinc/88/94/67/1066889467.db2.gz XIYHBISSLAFFPX-UHFFFAOYSA-N 1 0 466.807 4.042 20 0 JIADRO S=c1n(CN2CCC[N@@H+]3CCC[C@@H]3C2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC001318081610 1066889750 /nfs/dbraw/zinc/88/97/50/1066889750.db2.gz JWRAUNXNAFMKHK-OAQYLSRUSA-N 1 0 453.681 4.437 20 0 JIADRO O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318106987 1066902677 /nfs/dbraw/zinc/90/26/77/1066902677.db2.gz ILMLETDJZVTVPG-SFHVURJKSA-N 1 0 468.406 4.105 20 0 JIADRO CCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc2C1=O ZINC001350073995 1066912610 /nfs/dbraw/zinc/91/26/10/1066912610.db2.gz YLHZTQKVTYNXMJ-NRFANRHFSA-N 1 0 453.608 4.347 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492547106 1066914144 /nfs/dbraw/zinc/91/41/44/1066914144.db2.gz NNCILWBMVLELRY-QHCPKHFHSA-N 1 0 495.647 4.003 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001318137580 1066918872 /nfs/dbraw/zinc/91/88/72/1066918872.db2.gz XGPXBOKEUMGBJW-UHFFFAOYSA-N 1 0 468.667 4.340 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[NH+]2CCCCC2)c1 ZINC001492547593 1066932355 /nfs/dbraw/zinc/93/23/55/1066932355.db2.gz DCSKXYCLGVMIAH-SANMLTNESA-N 1 0 455.647 4.293 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318173182 1066939030 /nfs/dbraw/zinc/93/90/30/1066939030.db2.gz LQBGAELCWKBIAO-QURRFSBHSA-N 1 0 463.622 4.336 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1csc(I)n1 ZINC001350339640 1066945766 /nfs/dbraw/zinc/94/57/66/1066945766.db2.gz JINHZNMUIGMHGI-CYBMUJFWSA-N 1 0 455.365 4.052 20 0 JIADRO COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001318199627 1066954163 /nfs/dbraw/zinc/95/41/63/1066954163.db2.gz NMHNTDFEARKAPQ-UHFFFAOYSA-N 1 0 474.399 4.266 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001318199990 1066954803 /nfs/dbraw/zinc/95/48/03/1066954803.db2.gz LQQLZOTXIWFCIB-UHFFFAOYSA-N 1 0 452.599 4.307 20 0 JIADRO O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318203338 1066956147 /nfs/dbraw/zinc/95/61/47/1066956147.db2.gz RICSLCPGMDNDLH-QHCPKHFHSA-N 1 0 488.554 4.228 20 0 JIADRO Cc1c(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cccc1C(=O)N1CCc2sccc2C1 ZINC001318213909 1066962949 /nfs/dbraw/zinc/96/29/49/1066962949.db2.gz PQQZIQXOSFSMOO-UHFFFAOYSA-N 1 0 474.630 4.259 20 0 JIADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001318220651 1066968396 /nfs/dbraw/zinc/96/83/96/1066968396.db2.gz DNQHOMSVVUJJGM-XMMPIXPASA-N 1 0 462.981 4.110 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC[C@@H]3c3cccc(Br)c3)c2)CC1 ZINC001318225589 1066970022 /nfs/dbraw/zinc/97/00/22/1066970022.db2.gz BTCMNYGARBNQKS-HSZRJFAPSA-N 1 0 471.443 4.243 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)c2)CC1 ZINC001318234146 1066975516 /nfs/dbraw/zinc/97/55/16/1066975516.db2.gz CNMGCSHRSOJMPP-UHFFFAOYSA-N 1 0 481.984 4.254 20 0 JIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)cc12 ZINC001318252774 1066985038 /nfs/dbraw/zinc/98/50/38/1066985038.db2.gz CKDOLPWJHBXEND-UHFFFAOYSA-N 1 0 459.619 4.136 20 0 JIADRO CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)s2)cc1 ZINC001318255104 1066985948 /nfs/dbraw/zinc/98/59/48/1066985948.db2.gz USRQEIODQGWYEY-UHFFFAOYSA-N 1 0 450.608 4.199 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC001318270959 1066995357 /nfs/dbraw/zinc/99/53/57/1066995357.db2.gz ADXUAZKMMHSTKX-UHFFFAOYSA-N 1 0 472.615 4.043 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2ccc3ccccc3c2Br)CC1 ZINC001318281657 1067000814 /nfs/dbraw/zinc/00/08/14/1067000814.db2.gz HPIJLFUGUFWJNB-UHFFFAOYSA-N 1 0 468.395 4.049 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 ZINC001318286028 1067002316 /nfs/dbraw/zinc/00/23/16/1067002316.db2.gz HOOCJICSVPJAAG-UHFFFAOYSA-N 1 0 453.590 4.026 20 0 JIADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCC2)cc1 ZINC001318308011 1067010308 /nfs/dbraw/zinc/01/03/08/1067010308.db2.gz DIKHQMVYJRHLIY-VWLOTQADSA-N 1 0 454.578 4.365 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)CC1 ZINC001318327384 1067019453 /nfs/dbraw/zinc/01/94/53/1067019453.db2.gz MCUDVAFKBXAWMD-UHFFFAOYSA-N 1 0 490.069 4.428 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001300683888 1067022093 /nfs/dbraw/zinc/02/20/93/1067022093.db2.gz OYDXRHBJMSKLFF-HXUWFJFHSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(Nc2ccn(C)n2)n1CCC[NH+]1CCC(C)CC1 ZINC001300684625 1067024436 /nfs/dbraw/zinc/02/44/36/1067024436.db2.gz BLZQZMQQEDFTCP-UHFFFAOYSA-N 1 0 455.632 4.178 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001300686798 1067029441 /nfs/dbraw/zinc/02/94/41/1067029441.db2.gz JYKSGDREJSUFIO-IBGZPJMESA-N 1 0 459.660 4.069 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355323 1067030078 /nfs/dbraw/zinc/03/00/78/1067030078.db2.gz UYHWAULQIVDIID-CVDCTZTESA-N 1 0 464.610 4.348 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300687385 1067030661 /nfs/dbraw/zinc/03/06/61/1067030661.db2.gz OWMPUIKJCZONPO-YADHBBJMSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300688050 1067031777 /nfs/dbraw/zinc/03/17/77/1067031777.db2.gz SXGZSKTWJLHJBN-PNCHPQGNSA-N 1 0 493.768 4.347 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)COc1cc(F)cc(F)c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001351068903 1067040691 /nfs/dbraw/zinc/04/06/91/1067040691.db2.gz XMHDFVANKVZOCB-UHFFFAOYSA-N 1 0 452.523 4.380 20 0 JIADRO COc1cc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1NC(=O)OC(C)(C)C ZINC001318457416 1067044560 /nfs/dbraw/zinc/04/45/60/1067044560.db2.gz HLTPAQUIIKANHL-UHFFFAOYSA-N 1 0 483.613 4.111 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 ZINC001318507364 1067049589 /nfs/dbraw/zinc/04/95/89/1067049589.db2.gz NUCOYUPWPLSVNO-UHFFFAOYSA-N 1 0 457.550 4.086 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300696513 1067053909 /nfs/dbraw/zinc/05/39/09/1067053909.db2.gz DEJKRVHPYIATHX-JOCHJYFZSA-N 1 0 462.642 4.277 20 0 JIADRO COc1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001351154274 1067054117 /nfs/dbraw/zinc/05/41/17/1067054117.db2.gz MAOZFSIVZASSDU-FGZHOGPDSA-N 1 0 451.592 4.035 20 0 JIADRO CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354709896 1067056191 /nfs/dbraw/zinc/05/61/91/1067056191.db2.gz ADUBOLIVVCQYCD-CQSZACIVSA-N 1 0 455.580 4.149 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC001318619997 1067056972 /nfs/dbraw/zinc/05/69/72/1067056972.db2.gz GYFBAVNKXZZTBR-UHFFFAOYSA-N 1 0 469.607 4.093 20 0 JIADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC([NH+](CC)CC)CC3)c2)c1C(F)(F)F ZINC001319053352 1067065354 /nfs/dbraw/zinc/06/53/54/1067065354.db2.gz LDZXRXPEMVUHEG-UHFFFAOYSA-N 1 0 481.519 4.406 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731389 1067066682 /nfs/dbraw/zinc/06/66/82/1067066682.db2.gz QXGRATMLBXAEAV-DYESRHJHSA-N 1 0 453.384 4.275 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 ZINC001319301262 1067071341 /nfs/dbraw/zinc/07/13/41/1067071341.db2.gz MULMFAQDYFOZAL-UHFFFAOYSA-N 1 0 457.578 4.060 20 0 JIADRO CCCCN(C(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001351322623 1067077154 /nfs/dbraw/zinc/07/71/54/1067077154.db2.gz XKQLMYWTKCUWQP-QFIPXVFZSA-N 1 0 456.631 4.122 20 0 JIADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)CC2)C1 ZINC001200780114 1067091532 /nfs/dbraw/zinc/09/15/32/1067091532.db2.gz AJGFYAUHJTUAGX-HNNXBMFYSA-N 1 0 450.958 4.238 20 0 JIADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)CC2)C1 ZINC001200780128 1067091747 /nfs/dbraw/zinc/09/17/47/1067091747.db2.gz AJGFYAUHJTUAGX-OAHLLOKOSA-N 1 0 450.958 4.238 20 0 JIADRO Cc1csc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1I ZINC001354775548 1067092030 /nfs/dbraw/zinc/09/20/30/1067092030.db2.gz HVHKAVRFPAXLMA-UHFFFAOYSA-N 1 0 455.365 4.055 20 0 JIADRO CCc1ccc(-c2nc(C(=O)N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cs2)cc1 ZINC001320931701 1067095971 /nfs/dbraw/zinc/09/59/71/1067095971.db2.gz YNBJHVMXBYGJNM-QFIPXVFZSA-N 1 0 475.662 4.442 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(Cc2cc(C)on2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001321004616 1067097616 /nfs/dbraw/zinc/09/76/16/1067097616.db2.gz DMFLAMQLRHHZHE-JOCHJYFZSA-N 1 0 481.563 4.302 20 0 JIADRO CC(C)NC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200788400 1067119989 /nfs/dbraw/zinc/11/99/89/1067119989.db2.gz HJUFVIXGTOMGGA-OAQYLSRUSA-N 1 0 460.688 4.008 20 0 JIADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001321527149 1067157642 /nfs/dbraw/zinc/15/76/42/1067157642.db2.gz LSXWGOOBDDSFCY-UHFFFAOYSA-N 1 0 453.590 4.491 20 0 JIADRO CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2cccc(NC(C)=O)c2)[n+]2cccc(C)c2)s1 ZINC001321579489 1067169787 /nfs/dbraw/zinc/16/97/87/1067169787.db2.gz SELKHNBUCMOUJR-UHFFFAOYSA-O 1 0 481.623 4.262 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001321596326 1067174673 /nfs/dbraw/zinc/17/46/73/1067174673.db2.gz OHAHPBWAVGAAMT-QFIPXVFZSA-N 1 0 490.435 4.058 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC001321619474 1067178075 /nfs/dbraw/zinc/17/80/75/1067178075.db2.gz VTNQAKQHJUQJAF-RUZDIDTESA-N 1 0 451.517 4.153 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001200799032 1067180253 /nfs/dbraw/zinc/18/02/53/1067180253.db2.gz IMSFGRAIOIPPBX-LLVKDONJSA-N 1 0 451.203 4.218 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)C1 ZINC001321629621 1067181902 /nfs/dbraw/zinc/18/19/02/1067181902.db2.gz JOFXJYWRJFSHGZ-FQEVSTJZSA-N 1 0 483.037 4.015 20 0 JIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)C1 ZINC001321629622 1067182089 /nfs/dbraw/zinc/18/20/89/1067182089.db2.gz JOFXJYWRJFSHGZ-HXUWFJFHSA-N 1 0 483.037 4.015 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001200800605 1067195841 /nfs/dbraw/zinc/19/58/41/1067195841.db2.gz VWWPQVFYWSAKDQ-UHFFFAOYSA-N 1 0 477.241 4.465 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 ZINC001351779361 1067202988 /nfs/dbraw/zinc/20/29/88/1067202988.db2.gz GMTHFSCCQXGQMR-KRWDZBQOSA-N 1 0 452.530 4.122 20 0 JIADRO C[NH+]1CC2(C1)CCN(C(=S)Nc1c(F)cc(Br)cc1Br)CC2 ZINC001200801756 1067204351 /nfs/dbraw/zinc/20/43/51/1067204351.db2.gz OWABIVXRTUDLFX-UHFFFAOYSA-N 1 0 451.203 4.075 20 0 JIADRO CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001321731678 1067204840 /nfs/dbraw/zinc/20/48/40/1067204840.db2.gz CEKVCJQTYNTVPX-UHFFFAOYSA-N 1 0 493.718 4.046 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COc2cccc(OCC(C)C)c2)CC1 ZINC001351782552 1067204976 /nfs/dbraw/zinc/20/49/76/1067204976.db2.gz WRSXNVXYXWFSNL-FQEVSTJZSA-N 1 0 457.590 4.259 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC001321796885 1067212163 /nfs/dbraw/zinc/21/21/63/1067212163.db2.gz DEFMXZOPZRMUSM-UHFFFAOYSA-N 1 0 462.388 4.249 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001321827253 1067214564 /nfs/dbraw/zinc/21/45/64/1067214564.db2.gz BYRIJIYXTHXQSK-UHFFFAOYSA-N 1 0 474.605 4.255 20 0 JIADRO COC1CCC(Cn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001300739704 1067215404 /nfs/dbraw/zinc/21/54/04/1067215404.db2.gz ZJNMLXYQEJAONB-UHFFFAOYSA-N 1 0 459.610 4.122 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001321827720 1067215261 /nfs/dbraw/zinc/21/52/61/1067215261.db2.gz GXGVGSLCGLWJNO-OAQYLSRUSA-N 1 0 488.632 4.279 20 0 JIADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001492492201 1067227959 /nfs/dbraw/zinc/22/79/59/1067227959.db2.gz GUQLNCBOEOVMHS-XMMPIXPASA-N 1 0 495.716 4.044 20 0 JIADRO CC(C)[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC001354878567 1067236306 /nfs/dbraw/zinc/23/63/06/1067236306.db2.gz TZFLZZDUJDYACF-YADHBBJMSA-N 1 0 450.465 4.459 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300744814 1067246508 /nfs/dbraw/zinc/24/65/08/1067246508.db2.gz KIFHJYIFHMXSSI-FYYLOGMGSA-N 1 0 455.647 4.025 20 0 JIADRO COCCC[NH+]1CCC(NC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200809208 1067251789 /nfs/dbraw/zinc/25/17/89/1067251789.db2.gz NEUYXWYWWLUWAJ-UHFFFAOYSA-N 1 0 483.245 4.138 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001200809857 1067255756 /nfs/dbraw/zinc/25/57/56/1067255756.db2.gz BBFFBQODPWJDNE-KPFFTGBYSA-N 1 0 479.481 4.465 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001200810049 1067257404 /nfs/dbraw/zinc/25/74/04/1067257404.db2.gz DQQAOFUKANWETG-ZWKOTPCHSA-N 1 0 451.423 4.369 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3nccn4c(Br)cnc34)ccc21 ZINC001351986313 1067262859 /nfs/dbraw/zinc/26/28/59/1067262859.db2.gz KRHKHXDQYDXXQY-UHFFFAOYSA-N 1 0 455.360 4.041 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001200811390 1067262819 /nfs/dbraw/zinc/26/28/19/1067262819.db2.gz WTXNLOIJKAWUMG-AYBZRNKSSA-N 1 0 467.470 4.464 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001300757237 1067286627 /nfs/dbraw/zinc/28/66/27/1067286627.db2.gz FLTSOMLUPOWUSN-XLIONFOSSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCCC2)C1 ZINC001300759130 1067294249 /nfs/dbraw/zinc/29/42/49/1067294249.db2.gz GENMGKBXUFLPGZ-SFHVURJKSA-N 1 0 462.436 4.199 20 0 JIADRO COc1cc(C[NH2+]C[C@H]2SCCc3ccccc32)cc(I)c1OC ZINC001200822128 1067295604 /nfs/dbraw/zinc/29/56/04/1067295604.db2.gz RLRGWKGVDIPTHH-GOSISDBHSA-N 1 0 455.361 4.429 20 0 JIADRO CCCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176310 1067305962 /nfs/dbraw/zinc/30/59/62/1067305962.db2.gz NZRHPFMIILUTBD-DEOSSOPVSA-N 1 0 456.652 4.316 20 0 JIADRO COc1cc(Br)c(OC)c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC001322768502 1067308427 /nfs/dbraw/zinc/30/84/27/1067308427.db2.gz HKFFRIVQASYOTO-HZPDHXFCSA-N 1 0 477.399 4.006 20 0 JIADRO O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001354968015 1067309772 /nfs/dbraw/zinc/30/97/72/1067309772.db2.gz TWPDTBIDGXTOPL-SQFISAMPSA-N 1 0 455.558 4.239 20 0 JIADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492579341 1067313474 /nfs/dbraw/zinc/31/34/74/1067313474.db2.gz INKYYWFBHZNZFH-QPPBQGQZSA-N 1 0 496.700 4.401 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001323085829 1067313870 /nfs/dbraw/zinc/31/38/70/1067313870.db2.gz NGKSHBOTJMXTKX-FQEVSTJZSA-N 1 0 469.611 4.164 20 0 JIADRO CCc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3N3CC[NH+](CC)CC3)CC2=O)cc1 ZINC001354986296 1067318269 /nfs/dbraw/zinc/31/82/69/1067318269.db2.gz ZWTWXNWQYVNDNK-LJQANCHMSA-N 1 0 455.002 4.036 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001300773135 1067324879 /nfs/dbraw/zinc/32/48/79/1067324879.db2.gz PJEKKOLIIBDVNM-XZOQPEGZSA-N 1 0 455.647 4.211 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001492495455 1067325002 /nfs/dbraw/zinc/32/50/02/1067325002.db2.gz XZIZTOAJDFMOHK-IBGZPJMESA-N 1 0 483.611 4.150 20 0 JIADRO CN(c1ccc(NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1)C1CC[NH+](C)CC1 ZINC001354995120 1067325804 /nfs/dbraw/zinc/32/58/04/1067325804.db2.gz WFYZVKFUTYCDKQ-NVQXNPDNSA-N 1 0 456.631 4.193 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCCN(c4ccccc4)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492496576 1067331403 /nfs/dbraw/zinc/33/14/03/1067331403.db2.gz AGCHMCAGNUEJKR-HSZRJFAPSA-N 1 0 461.658 4.342 20 0 JIADRO Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC001355006033 1067333229 /nfs/dbraw/zinc/33/32/29/1067333229.db2.gz PLIQFQGSTKSVBF-XMMPIXPASA-N 1 0 459.594 4.267 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CCSC)CC1 ZINC001300781780 1067337511 /nfs/dbraw/zinc/33/75/11/1067337511.db2.gz CZRYONHMLALGEQ-QGZVFWFLSA-N 1 0 481.110 4.461 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492497883 1067339865 /nfs/dbraw/zinc/33/98/65/1067339865.db2.gz LLXLVTUJXBNYKU-BWKNWUBXSA-N 1 0 462.642 4.245 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001492552918 1067340105 /nfs/dbraw/zinc/34/01/05/1067340105.db2.gz FNTWRFKSGDVMMI-GJZUVCINSA-N 1 0 453.631 4.086 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001300783127 1067340324 /nfs/dbraw/zinc/34/03/24/1067340324.db2.gz UOQOUXQMYAIYLH-UHFFFAOYSA-N 1 0 479.069 4.134 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001492497960 1067340396 /nfs/dbraw/zinc/34/03/96/1067340396.db2.gz NOMOGXHLOSHCHF-URXFXBBRSA-N 1 0 462.642 4.245 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001300783491 1067341299 /nfs/dbraw/zinc/34/12/99/1067341299.db2.gz YBXMCPPBYPJOCI-UHFFFAOYSA-N 1 0 473.021 4.421 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001300784934 1067344784 /nfs/dbraw/zinc/34/47/84/1067344784.db2.gz HFTUSQYKCLZDEW-UHFFFAOYSA-N 1 0 475.703 4.214 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001300785040 1067345191 /nfs/dbraw/zinc/34/51/91/1067345191.db2.gz ODUZEPKMYOEPPK-QFBILLFUSA-N 1 0 450.052 4.322 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300003049 1067345617 /nfs/dbraw/zinc/34/56/17/1067345617.db2.gz YMZJWWYNOVYZOV-FQEVSTJZSA-N 1 0 478.622 4.358 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2ccc(C)cc2)CC1 ZINC001300785197 1067345729 /nfs/dbraw/zinc/34/57/29/1067345729.db2.gz CWODMJSEXARVLW-UHFFFAOYSA-N 1 0 496.681 4.235 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001300785196 1067345897 /nfs/dbraw/zinc/34/58/97/1067345897.db2.gz CWFSBKSLGMEZEW-UHFFFAOYSA-N 1 0 477.600 4.209 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001300785203 1067346135 /nfs/dbraw/zinc/34/61/35/1067346135.db2.gz IUMFYLLRHFEMNP-RBBKRZOGSA-N 1 0 454.663 4.168 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001300785357 1067346444 /nfs/dbraw/zinc/34/64/44/1067346444.db2.gz POPKWULOJAZIBM-YTFSRNRJSA-N 1 0 461.695 4.467 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300785606 1067347470 /nfs/dbraw/zinc/34/74/70/1067347470.db2.gz HSINDEBFCMCRAF-BGYRXZFFSA-N 1 0 473.637 4.368 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)CC1 ZINC001300785741 1067347806 /nfs/dbraw/zinc/34/78/06/1067347806.db2.gz NCUVKKKRRMJCPU-UHFFFAOYSA-N 1 0 484.689 4.117 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC001300786021 1067347951 /nfs/dbraw/zinc/34/79/51/1067347951.db2.gz IIPUOFIEGQLIET-UYAOXDASSA-N 1 0 487.611 4.056 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001300785956 1067348126 /nfs/dbraw/zinc/34/81/26/1067348126.db2.gz PHJAUOMCVMXXEG-UHFFFAOYSA-N 1 0 485.721 4.096 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001300786738 1067349784 /nfs/dbraw/zinc/34/97/84/1067349784.db2.gz PFSMCOFYZWZWCO-AREMUKBSSA-N 1 0 461.695 4.296 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)C/C(C)=C/c2ccccc2)CC1 ZINC001300787503 1067351158 /nfs/dbraw/zinc/35/11/58/1067351158.db2.gz WWEBAEWHPWRVFA-WTKRLXQWSA-N 1 0 467.658 4.211 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(Cc3ccco3)C[C@H]3CCCO3)nnc2C(C)(C)C)CC1 ZINC001300787559 1067351690 /nfs/dbraw/zinc/35/16/90/1067351690.db2.gz VEGZZJBUCCPHFT-JOCHJYFZSA-N 1 0 473.662 4.244 20 0 JIADRO C[C@@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001355035997 1067352364 /nfs/dbraw/zinc/35/23/64/1067352364.db2.gz AIXQZUAZNYFLIN-XLIONFOSSA-N 1 0 453.384 4.418 20 0 JIADRO C[C@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001355035994 1067352463 /nfs/dbraw/zinc/35/24/63/1067352463.db2.gz AIXQZUAZNYFLIN-PXNSSMCTSA-N 1 0 453.384 4.418 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001300787703 1067352621 /nfs/dbraw/zinc/35/26/21/1067352621.db2.gz ZQOPMNYVLLRMHS-PKTZIBPZSA-N 1 0 498.672 4.075 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3CC[C@@H](OCC(C)C)C3)CCCC2)CC1 ZINC001300787973 1067353031 /nfs/dbraw/zinc/35/30/31/1067353031.db2.gz XTIWZTLKRAAJRM-HSZRJFAPSA-N 1 0 461.695 4.152 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300005814 1067353245 /nfs/dbraw/zinc/35/32/45/1067353245.db2.gz JDPPSMWAOJMMNP-IQGLISFBSA-N 1 0 452.603 4.397 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001300005935 1067354282 /nfs/dbraw/zinc/35/42/82/1067354282.db2.gz IAXJJWVEVKCZLL-OAHLLOKOSA-N 1 0 489.418 4.133 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300007089 1067356669 /nfs/dbraw/zinc/35/66/69/1067356669.db2.gz PFVWKYGFMJCJQD-SFHVURJKSA-N 1 0 468.602 4.160 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300008401 1067359063 /nfs/dbraw/zinc/35/90/63/1067359063.db2.gz FYAHHRQPCRFYRG-SFTDATJTSA-N 1 0 453.631 4.487 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300010201 1067362128 /nfs/dbraw/zinc/36/21/28/1067362128.db2.gz CTQPEFQHNHJEJB-NHCUHLMSSA-N 1 0 485.673 4.193 20 0 JIADRO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300010202 1067362196 /nfs/dbraw/zinc/36/21/96/1067362196.db2.gz CTQPEFQHNHJEJB-OYRHEFFESA-N 1 0 485.673 4.193 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300010214 1067362266 /nfs/dbraw/zinc/36/22/66/1067362266.db2.gz DKYNXXAOBXCNOI-WOVHNISZSA-N 1 0 455.647 4.327 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001300792765 1067363633 /nfs/dbraw/zinc/36/36/33/1067363633.db2.gz ZPJYXAVHIWUDKY-ODGPQVTHSA-N 1 0 482.673 4.273 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001492555373 1067365979 /nfs/dbraw/zinc/36/59/79/1067365979.db2.gz KGPKAFTWLXUWAW-RBBKRZOGSA-N 1 0 466.674 4.417 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001492580553 1067366317 /nfs/dbraw/zinc/36/63/17/1067366317.db2.gz HRDKBSINZLFOQH-JOCHJYFZSA-N 1 0 480.701 4.039 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccccc2[S@](=O)C(F)(F)F)ccc1OC ZINC001352384116 1067367568 /nfs/dbraw/zinc/36/75/68/1067367568.db2.gz ZCZPLNIMBHFQJQ-HKBQPEDESA-N 1 0 458.502 4.296 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC001300012848 1067368123 /nfs/dbraw/zinc/36/81/23/1067368123.db2.gz HTAFZTDLECRJRN-FQEVSTJZSA-N 1 0 471.646 4.231 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492554843 1067372108 /nfs/dbraw/zinc/37/21/08/1067372108.db2.gz XNLQNQNVFFKQQT-FCHUYYIVSA-N 1 0 450.631 4.290 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001492554966 1067372953 /nfs/dbraw/zinc/37/29/53/1067372953.db2.gz ZRUGRZFYBWTJCQ-XPWALMASSA-N 1 0 487.714 4.341 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001492554932 1067373028 /nfs/dbraw/zinc/37/30/28/1067373028.db2.gz ZHDZPXKAOPFWLY-KSFYIVLOSA-N 1 0 490.471 4.342 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492581403 1067383521 /nfs/dbraw/zinc/38/35/21/1067383521.db2.gz GCMYCYNIEKLWFA-RUZDIDTESA-N 1 0 494.728 4.240 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300021733 1067386105 /nfs/dbraw/zinc/38/61/05/1067386105.db2.gz JFRYPWIZYWKFPF-XHSDSOJGSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001300023026 1067390720 /nfs/dbraw/zinc/39/07/20/1067390720.db2.gz BKPGCLVNNVTEOV-KDURUIRLSA-N 1 0 473.687 4.415 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CC[NH+]2CCSCC2)cc1Br ZINC001300023232 1067391592 /nfs/dbraw/zinc/39/15/92/1067391592.db2.gz JGPCZHLRXYQRBJ-IRXDYDNUSA-N 1 0 494.503 4.390 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027455 1067402746 /nfs/dbraw/zinc/40/27/46/1067402746.db2.gz OWXVJZGTJJCBLP-JKSUJKDBSA-N 1 0 467.536 4.224 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300029424 1067413668 /nfs/dbraw/zinc/41/36/68/1067413668.db2.gz PEYZELVHHGMEKZ-DEOSSOPVSA-N 1 0 496.700 4.159 20 0 JIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001355330330 1067421788 /nfs/dbraw/zinc/42/17/88/1067421788.db2.gz ACYZARUMZIZWEF-UHFFFAOYSA-N 1 0 455.584 4.400 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC001300033759 1067434045 /nfs/dbraw/zinc/43/40/45/1067434045.db2.gz RJPXVDKMYLWVTB-UCNVEGJOSA-N 1 0 485.654 4.188 20 0 JIADRO 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CCCc1sc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC001352554472 1067520808 /nfs/dbraw/zinc/52/08/08/1067520808.db2.gz NASCAMYAFIDDMP-SFHVURJKSA-N 1 0 450.446 4.182 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cc1OC ZINC001200072153 1067525695 /nfs/dbraw/zinc/52/56/95/1067525695.db2.gz FNUONOFTNIHMBS-UHFFFAOYSA-N 1 0 459.681 4.170 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492582485 1067527257 /nfs/dbraw/zinc/52/72/57/1067527257.db2.gz JKVWATVHOPHCIE-HSZRJFAPSA-N 1 0 480.701 4.183 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492582594 1067527924 /nfs/dbraw/zinc/52/79/24/1067527924.db2.gz MPMFDFPZWXJBBE-LJQANCHMSA-N 1 0 479.591 4.193 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492582668 1067530048 /nfs/dbraw/zinc/53/00/48/1067530048.db2.gz OTFKGFLMMOLHNZ-VWLOTQADSA-N 1 0 480.701 4.039 20 0 JIADRO 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COC(=O)c1ccc(/C=C\C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)o1 ZINC001356170366 1067681441 /nfs/dbraw/zinc/68/14/41/1067681441.db2.gz MUMSKPVHWLSXIP-QBFSEMIESA-N 1 0 459.546 4.349 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001300107885 1067701503 /nfs/dbraw/zinc/70/15/03/1067701503.db2.gz XJZYWJGZLSCACV-IRLDBZIGSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300108082 1067702586 /nfs/dbraw/zinc/70/25/86/1067702586.db2.gz ZPGIHLQHRVWRMC-CLOONOSVSA-N 1 0 469.655 4.300 20 0 JIADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)c1 ZINC001200126920 1067704202 /nfs/dbraw/zinc/70/42/02/1067704202.db2.gz KWNVGKOHHZWNMB-MRXNPFEDSA-N 1 0 457.983 4.032 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(OC)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300113332 1067718221 /nfs/dbraw/zinc/71/82/21/1067718221.db2.gz DUDYICADIGDKGO-OYRHEFFESA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300113767 1067719407 /nfs/dbraw/zinc/71/94/07/1067719407.db2.gz IIGPNHBRSWQSQG-FGZHOGPDSA-N 1 0 499.700 4.028 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300113960 1067719915 /nfs/dbraw/zinc/71/99/15/1067719915.db2.gz NXEYJBMVZZTYSQ-AUSIDOKSSA-N 1 0 483.682 4.440 20 0 JIADRO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300115416 1067724620 /nfs/dbraw/zinc/72/46/20/1067724620.db2.gz YWCMLMJHYGMNSK-UPVQGACJSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300116089 1067726264 /nfs/dbraw/zinc/72/62/64/1067726264.db2.gz CUYGPYMIYXNBKZ-YTFSRNRJSA-N 1 0 483.701 4.444 20 0 JIADRO CCCNC(=O)CN(CCC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001356334815 1067726527 /nfs/dbraw/zinc/72/65/27/1067726527.db2.gz GMLZIOJWOIDWOH-BJKOFHAPSA-N 1 0 456.030 4.320 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCCC(C)(C)C)cc1 ZINC001300119178 1067733001 /nfs/dbraw/zinc/73/30/01/1067733001.db2.gz PGUBCLRTKRTXRK-UHFFFAOYSA-N 1 0 483.701 4.447 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC[C@@H](OC)C(F)(F)F)cc1 ZINC001300120218 1067736975 /nfs/dbraw/zinc/73/69/75/1067736975.db2.gz PJIRYUAGCHWPLH-RBBKRZOGSA-N 1 0 495.590 4.104 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(=S)Nc3ccc(C)cc3Br)CC2)CC1 ZINC001200141029 1067739728 /nfs/dbraw/zinc/73/97/28/1067739728.db2.gz CTENXHRNZONZJB-UHFFFAOYSA-N 1 0 468.461 4.194 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)c2c(C)noc2C)cc1 ZINC001300122903 1067742773 /nfs/dbraw/zinc/74/27/73/1067742773.db2.gz LDHMRRBHOWHBNQ-HXUWFJFHSA-N 1 0 480.657 4.401 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001300123333 1067744104 /nfs/dbraw/zinc/74/41/04/1067744104.db2.gz RRJZURHJQSHJHJ-DENIHFKCSA-N 1 0 495.590 4.104 20 0 JIADRO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC001356461307 1067757373 /nfs/dbraw/zinc/75/73/73/1067757373.db2.gz UHZVNNDNSWEDOP-HXUWFJFHSA-N 1 0 455.624 4.140 20 0 JIADRO Cc1ccc(NC(=S)N2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)c(Br)c1 ZINC001200147023 1067758070 /nfs/dbraw/zinc/75/80/70/1067758070.db2.gz ZUXDIEQLFGMUNX-RBUKOAKNSA-N 1 0 475.456 4.133 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001356475481 1067760258 /nfs/dbraw/zinc/76/02/58/1067760258.db2.gz RGGCTIXHCNVIII-IEUSDUHPSA-N 1 0 467.629 4.110 20 0 JIADRO COc1ccc(CCCn2c(C(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001300132642 1067770765 /nfs/dbraw/zinc/77/07/65/1067770765.db2.gz ANANJVRFJGHIME-UHFFFAOYSA-N 1 0 468.690 4.038 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300133708 1067774084 /nfs/dbraw/zinc/77/40/84/1067774084.db2.gz WTYPQBGCFUSYCK-HSZRJFAPSA-N 1 0 455.647 4.329 20 0 JIADRO COc1ccc(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001300136658 1067779358 /nfs/dbraw/zinc/77/93/58/1067779358.db2.gz OLOFMCCWJDGBCQ-QHCPKHFHSA-N 1 0 499.700 4.065 20 0 JIADRO O=C(NCc1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001356563749 1067779767 /nfs/dbraw/zinc/77/97/67/1067779767.db2.gz IKYAMLIPHZZDTL-WOJBJXKFSA-N 1 0 456.409 4.438 20 0 JIADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC000849058041 1067788840 /nfs/dbraw/zinc/78/88/40/1067788840.db2.gz CQXHNEQYAREOEK-OAHLLOKOSA-N 1 0 470.517 4.142 20 0 JIADRO COc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001300142703 1067794246 /nfs/dbraw/zinc/79/42/46/1067794246.db2.gz QFCIBVUKAZASIB-UHFFFAOYSA-N 1 0 455.006 4.023 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC001300149777 1067805479 /nfs/dbraw/zinc/80/54/79/1067805479.db2.gz QCRKZQBESDAXCI-IBGZPJMESA-N 1 0 476.463 4.165 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H]2OCc3cc(Cl)ccc32)cc1OC ZINC001357119084 1067806520 /nfs/dbraw/zinc/80/65/20/1067806520.db2.gz UDKIHHZASCUWTF-JOCHJYFZSA-N 1 0 459.974 4.020 20 0 JIADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H](CC3CCCCC3)NC(=O)OC(C)(C)C)nc2)C1 ZINC001357146378 1067810260 /nfs/dbraw/zinc/81/02/60/1067810260.db2.gz WZQSYKVIDHFVRS-SFTDATJTSA-N 1 0 459.635 4.024 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1F ZINC001300161745 1067816574 /nfs/dbraw/zinc/81/65/74/1067816574.db2.gz ASNUGVBWNRDIOG-JOCHJYFZSA-N 1 0 452.578 4.245 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001300161842 1067816795 /nfs/dbraw/zinc/81/67/95/1067816795.db2.gz DFVFQEQJBPCCFY-OYRHEFFESA-N 1 0 478.641 4.181 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CC[C@@H]([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001200193261 1067826705 /nfs/dbraw/zinc/82/67/05/1067826705.db2.gz DADYZHPCLQXXBQ-QGZVFWFLSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300169196 1067827203 /nfs/dbraw/zinc/82/72/03/1067827203.db2.gz ATTIIOUNTRVDFF-JOCHJYFZSA-N 1 0 471.646 4.438 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001200194982 1067828025 /nfs/dbraw/zinc/82/80/25/1067828025.db2.gz MXOHMSFHUBSXCP-MRXNPFEDSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300169680 1067828109 /nfs/dbraw/zinc/82/81/09/1067828109.db2.gz JUZDTFGRJQSQKF-MZEQIWSPSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCCC3)n2CC[NH+]2CCSCC2)cc1OC(F)F ZINC001300170435 1067829220 /nfs/dbraw/zinc/82/92/20/1067829220.db2.gz SBPSLJQIAQRUDR-UHFFFAOYSA-N 1 0 481.613 4.231 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001300172496 1067831909 /nfs/dbraw/zinc/83/19/09/1067831909.db2.gz JJGHVQCLBNQYLH-QFIPXVFZSA-N 1 0 457.663 4.177 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001300173355 1067832825 /nfs/dbraw/zinc/83/28/25/1067832825.db2.gz RFSVFFREDQUZRW-UHFFFAOYSA-N 1 0 462.642 4.339 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300173870 1067833373 /nfs/dbraw/zinc/83/33/73/1067833373.db2.gz ZRQIWJLIAOTNTH-LYZGTLIUSA-N 1 0 492.668 4.428 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300176467 1067836519 /nfs/dbraw/zinc/83/65/19/1067836519.db2.gz UQZKOVFTKABGCP-LEWJYISDSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300176655 1067837232 /nfs/dbraw/zinc/83/72/32/1067837232.db2.gz BDEMAGSBUYKWTB-RTBURBONSA-N 1 0 498.697 4.167 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1F ZINC001300179928 1067842996 /nfs/dbraw/zinc/84/29/96/1067842996.db2.gz FIIDWJSWDAFDST-QHCPKHFHSA-N 1 0 483.636 4.044 20 0 JIADRO CCOCCO[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001357395076 1067843610 /nfs/dbraw/zinc/84/36/10/1067843610.db2.gz JBLSRKIGEJUWNN-CCDWMCETSA-N 1 0 457.014 4.210 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(OCCC(=O)NC)cc1)c1cccc(C(F)(F)F)c1 ZINC001353056263 1067847308 /nfs/dbraw/zinc/84/73/08/1067847308.db2.gz MGBPNWBNFUWUBB-NRFANRHFSA-N 1 0 451.489 4.242 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(OCCC(=O)NC)cc1)c1cccc(C(F)(F)F)c1 ZINC001353056265 1067847558 /nfs/dbraw/zinc/84/75/58/1067847558.db2.gz MGBPNWBNFUWUBB-OAQYLSRUSA-N 1 0 451.489 4.242 20 0 JIADRO COc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c(C(=O)N2CCCCC2)cc1OC ZINC001357432465 1067849226 /nfs/dbraw/zinc/84/92/26/1067849226.db2.gz ZCTBQADHEABALO-UHFFFAOYSA-N 1 0 455.555 4.161 20 0 JIADRO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C(=S)Nc1c(C)cc(Br)cc1C)CCC2 ZINC001200221370 1067862633 /nfs/dbraw/zinc/86/26/33/1067862633.db2.gz GASKVMLEXRVDKE-UHFFFAOYSA-N 1 0 492.487 4.067 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001200221611 1067862984 /nfs/dbraw/zinc/86/29/84/1067862984.db2.gz ITLLNQOHXSFQQS-XMSQKQJNSA-N 1 0 466.489 4.443 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC001300196892 1067866468 /nfs/dbraw/zinc/86/64/68/1067866468.db2.gz WGBQUJKBULPRCZ-UHFFFAOYSA-N 1 0 485.032 4.370 20 0 JIADRO CCCNC(=O)c1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1Cl ZINC001357571436 1067871967 /nfs/dbraw/zinc/87/19/67/1067871967.db2.gz IFVGKXUGVOZBSH-UHFFFAOYSA-N 1 0 453.974 4.157 20 0 JIADRO COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC001300202301 1067873673 /nfs/dbraw/zinc/87/36/73/1067873673.db2.gz LYTUVIMVFMUQGC-UHFFFAOYSA-N 1 0 470.021 4.002 20 0 JIADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001357598571 1067875830 /nfs/dbraw/zinc/87/58/30/1067875830.db2.gz CAHZCQUWMAZANR-JOCHJYFZSA-N 1 0 451.571 4.415 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NCc1c(OC)cc(OC)cc1OC)c1cccc(C(F)(F)F)c1 ZINC001357625429 1067878655 /nfs/dbraw/zinc/87/86/55/1067878655.db2.gz FJQSBGZZQHBWLX-NRFANRHFSA-N 1 0 454.489 4.431 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC001357643650 1067881705 /nfs/dbraw/zinc/88/17/05/1067881705.db2.gz ASNNKIAKMAIVGM-VWLOTQADSA-N 1 0 455.602 4.424 20 0 JIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c(OCCC(C)C)c1 ZINC001357647344 1067882020 /nfs/dbraw/zinc/88/20/20/1067882020.db2.gz YZFITZNDSXYJKM-FQEVSTJZSA-N 1 0 453.583 4.070 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC001300215937 1067886134 /nfs/dbraw/zinc/88/61/34/1067886134.db2.gz MMHVCSDFCUEUMZ-UHFFFAOYSA-N 1 0 451.537 4.227 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001357712435 1067889934 /nfs/dbraw/zinc/88/99/34/1067889934.db2.gz QVFGTMSUISKRBK-BNIKKZEQSA-N 1 0 457.615 4.273 20 0 JIADRO CCNC(=O)COc1ccc(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cc1 ZINC001357767265 1067896035 /nfs/dbraw/zinc/89/60/35/1067896035.db2.gz ZMZMXYFXCJCTMI-OAQYLSRUSA-N 1 0 451.489 4.242 20 0 JIADRO COC(=O)CCN1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)[C@@H](C)C1 ZINC001357839101 1067918200 /nfs/dbraw/zinc/91/82/00/1067918200.db2.gz VXZMSEXMXXKYRF-SFHVURJKSA-N 1 0 451.542 4.002 20 0 JIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC001200277514 1067932440 /nfs/dbraw/zinc/93/24/40/1067932440.db2.gz WUPNLDWOOAXPAN-GOSISDBHSA-N 1 0 458.628 4.142 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cscc3Br)cc2)C[C@H]1C ZINC001357905493 1067937796 /nfs/dbraw/zinc/93/77/96/1067937796.db2.gz KBHCOOJEZXHNKD-HZPDHXFCSA-N 1 0 451.430 4.450 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCC1 ZINC001300238506 1067940264 /nfs/dbraw/zinc/94/02/64/1067940264.db2.gz LTELKVFREOLUQX-UHFFFAOYSA-N 1 0 475.062 4.417 20 0 JIADRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC001357927916 1067945118 /nfs/dbraw/zinc/94/51/18/1067945118.db2.gz JXNDKBYSFGDASU-MZYLBHOOSA-N 1 0 457.615 4.416 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)ccn1 ZINC001358031648 1067993510 /nfs/dbraw/zinc/99/35/10/1067993510.db2.gz WXVYNGDLIHFSPB-UHFFFAOYSA-N 1 0 455.356 4.027 20 0 JIADRO C[C@]1(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[N@H+](Cc2ccccc2)C1 ZINC001200294914 1068004834 /nfs/dbraw/zinc/00/48/34/1068004834.db2.gz HVDIPUQJXYTHCK-QFIPXVFZSA-N 1 0 454.372 4.421 20 0 JIADRO COc1ccc(OC)c(CCCn2c(CC3CC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300252594 1068005277 /nfs/dbraw/zinc/00/52/77/1068005277.db2.gz BCAGPHDADQLHMI-UHFFFAOYSA-N 1 0 455.647 4.191 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492562706 1068017951 /nfs/dbraw/zinc/01/79/51/1068017951.db2.gz XFUMMDYXZZRUCE-UYAOXDASSA-N 1 0 451.537 4.141 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492562704 1068018186 /nfs/dbraw/zinc/01/81/86/1068018186.db2.gz XFUMMDYXZZRUCE-ICSRJNTNSA-N 1 0 451.537 4.141 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cc(F)cc(Br)c2F)cc1 ZINC001353323408 1068027044 /nfs/dbraw/zinc/02/70/44/1068027044.db2.gz COOBJUJPNDGCBW-UHFFFAOYSA-N 1 0 455.299 4.018 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cc(Br)ccc2Cl)cc1 ZINC001353329113 1068029260 /nfs/dbraw/zinc/02/92/60/1068029260.db2.gz ZNMMVNPKIYGROH-UHFFFAOYSA-N 1 0 453.764 4.393 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300269376 1068045577 /nfs/dbraw/zinc/04/55/77/1068045577.db2.gz MCNOGWOLHZYFJB-FNAHDJPLSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300271228 1068051232 /nfs/dbraw/zinc/05/12/32/1068051232.db2.gz VHAAVQDMLMDEGE-FKBYEOEOSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300279165 1068067521 /nfs/dbraw/zinc/06/75/21/1068067521.db2.gz WNWWNQVBEJZAKM-SZPZYZBQSA-N 1 0 483.657 4.300 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300280726 1068072041 /nfs/dbraw/zinc/07/20/41/1068072041.db2.gz IDGMMHQHGCTMHO-WZONZLPQSA-N 1 0 463.573 4.222 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H](NC(C)=O)c3ccc(F)cc3F)ccc21 ZINC001358390882 1068080608 /nfs/dbraw/zinc/08/06/08/1068080608.db2.gz PSNOJIAUNGVOLB-HSZRJFAPSA-N 1 0 456.537 4.467 20 0 JIADRO CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001353397170 1068086128 /nfs/dbraw/zinc/08/61/28/1068086128.db2.gz XPPYASCXPLQFFW-FGZHOGPDSA-N 1 0 454.617 4.396 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001300288647 1068089932 /nfs/dbraw/zinc/08/99/32/1068089932.db2.gz BQDUFZNUYCVXDL-UHFFFAOYSA-N 1 0 494.640 4.017 20 0 JIADRO COc1ccc(OCc2nnc(N3CCCCCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300290718 1068095258 /nfs/dbraw/zinc/09/52/58/1068095258.db2.gz MCUGMYYZQJTPHQ-JOCHJYFZSA-N 1 0 471.646 4.137 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(Cl)c1 ZINC001200332194 1068097662 /nfs/dbraw/zinc/09/76/62/1068097662.db2.gz QOYFPLOAKNSLDW-STZQEDGTSA-N 1 0 452.064 4.326 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300294068 1068108197 /nfs/dbraw/zinc/10/81/97/1068108197.db2.gz CXRMOKNRAILCPD-GOSISDBHSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300297680 1068131971 /nfs/dbraw/zinc/13/19/71/1068131971.db2.gz OWDOFBQXTBFTOY-HXUWFJFHSA-N 1 0 473.687 4.320 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@@H]([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200339383 1068136766 /nfs/dbraw/zinc/13/67/66/1068136766.db2.gz RFRKZHKNIMAEBE-QGZVFWFLSA-N 1 0 453.052 4.409 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1(C)C ZINC001473597969 1068265088 /nfs/dbraw/zinc/26/50/88/1068265088.db2.gz OZCHBZMCFLSCRP-OKZBNKHCSA-N 1 0 453.530 4.065 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCCSC)CC2)c1 ZINC001300332214 1068281009 /nfs/dbraw/zinc/28/10/09/1068281009.db2.gz JIEXXVNSSIJJIL-IBGZPJMESA-N 1 0 455.628 4.491 20 0 JIADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001353541374 1068308172 /nfs/dbraw/zinc/30/81/72/1068308172.db2.gz SGGYKKYMSFCJNK-VWLOTQADSA-N 1 0 483.616 4.114 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000519021962 1068313744 /nfs/dbraw/zinc/31/37/44/1068313744.db2.gz JDRGKEPOEOEJAP-LJQANCHMSA-N 1 0 450.562 4.095 20 0 JIADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc4sc(Nc5ccccc5OC)nc4s3)CC2)c1 ZINC000519162386 1068314574 /nfs/dbraw/zinc/31/45/74/1068314574.db2.gz JUFYHSXKUWWHIE-UHFFFAOYSA-N 1 0 481.603 4.476 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)[NH+](C)C)c1 ZINC001300338328 1068315946 /nfs/dbraw/zinc/31/59/46/1068315946.db2.gz BHOZNULCJKTLAZ-GCJKJVERSA-N 1 0 494.606 4.320 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300338669 1068317428 /nfs/dbraw/zinc/31/74/28/1068317428.db2.gz DAMBMPBLTHNFNR-CYFREDJKSA-N 1 0 479.673 4.324 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)CC2)no1 ZINC000519951146 1068318079 /nfs/dbraw/zinc/31/80/79/1068318079.db2.gz JWFZLTCVFRZTSN-UHFFFAOYSA-N 1 0 467.614 4.308 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300338980 1068318183 /nfs/dbraw/zinc/31/81/83/1068318183.db2.gz FVUKSJLAKPJZQA-NFBKMPQASA-N 1 0 498.716 4.266 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300340071 1068320729 /nfs/dbraw/zinc/32/07/29/1068320729.db2.gz KMKKHYAAWFDPLY-UKILVPOCSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001300340070 1068320947 /nfs/dbraw/zinc/32/09/47/1068320947.db2.gz KMKKHYAAWFDPLY-NOZRDPDXSA-N 1 0 462.642 4.448 20 0 JIADRO O=C(COc1cc(F)cc(F)c1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001353561445 1068324689 /nfs/dbraw/zinc/32/46/89/1068324689.db2.gz YLHFRKQPSOSOAY-UHFFFAOYSA-N 1 0 451.517 4.300 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C)C(C)(C)C2)[NH+](C)C)c1 ZINC001300340847 1068325491 /nfs/dbraw/zinc/32/54/91/1068325491.db2.gz PVMMBFCDJGLBNT-HYBUGGRVSA-N 1 0 462.642 4.448 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)[NH+](C)C)c1 ZINC001300341543 1068328671 /nfs/dbraw/zinc/32/86/71/1068328671.db2.gz SCDSMKKBMUWBJD-YLJYHZDGSA-N 1 0 476.046 4.445 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1)c1ccccc1 ZINC000521748557 1068335002 /nfs/dbraw/zinc/33/50/02/1068335002.db2.gz WSHXVAONAWYMTA-FCHUYYIVSA-N 1 0 492.649 4.099 20 0 JIADRO Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)N2C(=O)OC(C)(C)C ZINC001353580191 1068345032 /nfs/dbraw/zinc/34/50/32/1068345032.db2.gz MSSOMEMYLXGCEK-JPYJTQIMSA-N 1 0 455.574 4.437 20 0 JIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC001474153855 1068359913 /nfs/dbraw/zinc/35/99/13/1068359913.db2.gz GVSJSDNAXQCJNO-AWEZNQCLSA-N 1 0 457.459 4.229 20 0 JIADRO Fc1cc(C[NH2+]CCOc2ccc(I)cc2)ccc1Br ZINC001474124556 1068360153 /nfs/dbraw/zinc/36/01/53/1068360153.db2.gz USBKZQHOOHCXHY-UHFFFAOYSA-N 1 0 450.089 4.361 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2cc3c(cn2)OCCO3)C1 ZINC001474154162 1068361803 /nfs/dbraw/zinc/36/18/03/1068361803.db2.gz QFSJKLPUGFOYTF-WIYYLYMNSA-N 1 0 457.546 4.122 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300359527 1068382902 /nfs/dbraw/zinc/38/29/02/1068382902.db2.gz BOLLEHPDULJYKG-PZJWPPBQSA-N 1 0 455.628 4.179 20 0 JIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001353636666 1068388568 /nfs/dbraw/zinc/38/85/68/1068388568.db2.gz JQWIEHYQFWPURR-IBVKSMDESA-N 1 0 453.558 4.079 20 0 JIADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 ZINC001200400374 1068390742 /nfs/dbraw/zinc/39/07/42/1068390742.db2.gz IGSYWMFMRZDJMD-NRFANRHFSA-N 1 0 450.366 4.387 20 0 JIADRO COc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001300365041 1068398010 /nfs/dbraw/zinc/39/80/10/1068398010.db2.gz YZEMOSXYBISWGD-HXUWFJFHSA-N 1 0 453.587 4.243 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300374117 1068437599 /nfs/dbraw/zinc/43/75/99/1068437599.db2.gz DCRJPSKTSHGDJN-KDURUIRLSA-N 1 0 495.590 4.215 20 0 JIADRO COc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001300384319 1068475973 /nfs/dbraw/zinc/47/59/73/1068475973.db2.gz FYCGUBJOVMKFSS-HXUWFJFHSA-N 1 0 494.606 4.293 20 0 JIADRO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001353706470 1068488435 /nfs/dbraw/zinc/48/84/35/1068488435.db2.gz OQXBJLAXCOLJTA-DNQXCXABSA-N 1 0 479.621 4.268 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOC(F)(F)F)c1 ZINC001300386237 1068488541 /nfs/dbraw/zinc/48/85/41/1068488541.db2.gz YMQRTTFHDXVFAD-UHFFFAOYSA-N 1 0 455.525 4.191 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001300388916 1068499014 /nfs/dbraw/zinc/49/90/14/1068499014.db2.gz MHGCCLDPMNWSJD-AREMUKBSSA-N 1 0 455.647 4.206 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(F)c2)C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200428895 1068507737 /nfs/dbraw/zinc/50/77/37/1068507737.db2.gz SZCWGSHCPDUQAP-UHFFFAOYSA-N 1 0 478.678 4.388 20 0 JIADRO CC(C)COc1ncc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1Cl ZINC001353734527 1068524169 /nfs/dbraw/zinc/52/41/69/1068524169.db2.gz GGJKXCYWZKITBT-FQEVSTJZSA-N 1 0 458.990 4.188 20 0 JIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001353735761 1068528259 /nfs/dbraw/zinc/52/82/59/1068528259.db2.gz RYLDIWPJAGREKV-NRFANRHFSA-N 1 0 450.514 4.208 20 0 JIADRO COc1cccc(-c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300398374 1068543857 /nfs/dbraw/zinc/54/38/57/1068543857.db2.gz PDFMVWSTSSSUAU-UYAOXDASSA-N 1 0 459.545 4.450 20 0 JIADRO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300399548 1068549491 /nfs/dbraw/zinc/54/94/91/1068549491.db2.gz HBWMONJECUHESJ-GBXCKJPGSA-N 1 0 469.674 4.310 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001300399665 1068551168 /nfs/dbraw/zinc/55/11/68/1068551168.db2.gz IJYKWVALWMJPMG-HFMPRLQTSA-N 1 0 469.674 4.431 20 0 JIADRO COc1cccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001300412943 1068597667 /nfs/dbraw/zinc/59/76/67/1068597667.db2.gz FVFLTXVVUPMJAA-UHFFFAOYSA-N 1 0 487.446 4.254 20 0 JIADRO C[C@@H](NC(=O)Nc1ccc(Br)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200455730 1068619020 /nfs/dbraw/zinc/61/90/20/1068619020.db2.gz ZSYABFYANNWISQ-CYBMUJFWSA-N 1 0 453.331 4.362 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300420157 1068628618 /nfs/dbraw/zinc/62/86/18/1068628618.db2.gz NPEMIODIQCNZQQ-FQEVSTJZSA-N 1 0 450.631 4.439 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300420699 1068633616 /nfs/dbraw/zinc/63/36/16/1068633616.db2.gz HNULRJCZUCTTBP-MOPGFXCFSA-N 1 0 468.671 4.399 20 0 JIADRO COc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001300420890 1068634688 /nfs/dbraw/zinc/63/46/88/1068634688.db2.gz MVJHLOSMPNUFDQ-XLGIIRLISA-N 1 0 487.714 4.279 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC2(SC)CC[NH+](C)CC2)c1 ZINC001300421284 1068638546 /nfs/dbraw/zinc/63/85/46/1068638546.db2.gz ZKESVJSZYMQQPA-UHFFFAOYSA-N 1 0 486.711 4.106 20 0 JIADRO C[C@@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001353844557 1068654668 /nfs/dbraw/zinc/65/46/68/1068654668.db2.gz IWVJXJBMDAUAJA-DYESRHJHSA-N 1 0 454.571 4.479 20 0 JIADRO C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436696 1068699685 /nfs/dbraw/zinc/69/96/85/1068699685.db2.gz XDZSTAPXVQSRNS-JRFVFWCSSA-N 1 0 457.659 4.435 20 0 JIADRO COc1cccc(Cl)c1Cn1c(CC(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001300440730 1068713567 /nfs/dbraw/zinc/71/35/67/1068713567.db2.gz XAYBJDHEMGAGNL-SFTDATJTSA-N 1 0 489.108 4.182 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001300444968 1068732432 /nfs/dbraw/zinc/73/24/32/1068732432.db2.gz IFZCXCQEJNVTJX-HXUWFJFHSA-N 1 0 453.587 4.101 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001300447664 1068742848 /nfs/dbraw/zinc/74/28/48/1068742848.db2.gz XCJIPJDSPJVXIG-LJQANCHMSA-N 1 0 453.587 4.289 20 0 JIADRO CC[C@H](C)NC(=S)Nc1cc(-c2cccc(CN3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200496930 1068750897 /nfs/dbraw/zinc/75/08/97/1068750897.db2.gz PWRRIVAIDWZORC-NRFANRHFSA-N 1 0 481.710 4.023 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001300452312 1068761251 /nfs/dbraw/zinc/76/12/51/1068761251.db2.gz VAVSTQVSGHRPPS-NRFANRHFSA-N 1 0 485.673 4.133 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(C(C)C)nnc1N(C)CCc1nccs1)[NH+]1CCCC1 ZINC001300455753 1068773269 /nfs/dbraw/zinc/77/32/69/1068773269.db2.gz PJFCSCBLQUMPEL-HXUWFJFHSA-N 1 0 454.644 4.383 20 0 JIADRO COc1ccccc1[C@H](Cn1c(CC(C)C)nnc1N(C)Cc1cnn(C)c1C)[NH+]1CCCC1 ZINC001300457554 1068781462 /nfs/dbraw/zinc/78/14/62/1068781462.db2.gz KTLJEDJBWAEXHZ-QHCPKHFHSA-N 1 0 465.646 4.001 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1CCCCCC1=O ZINC001492567428 1068833929 /nfs/dbraw/zinc/83/39/29/1068833929.db2.gz HBSVDRNINBOHJS-UHFFFAOYSA-N 1 0 466.674 4.357 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300480961 1068834587 /nfs/dbraw/zinc/83/45/87/1068834587.db2.gz DPJWSZQQDPNLCI-HXUWFJFHSA-N 1 0 493.574 4.422 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300481116 1068835175 /nfs/dbraw/zinc/83/51/75/1068835175.db2.gz LRWBGBUICVNQSZ-IMSXRSKXSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300481961 1068836923 /nfs/dbraw/zinc/83/69/23/1068836923.db2.gz STMGNXCKHHVVTJ-NJYVYQBISA-N 1 0 455.647 4.324 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492567802 1068837678 /nfs/dbraw/zinc/83/76/78/1068837678.db2.gz GIZSVZXQFIZKEF-FQEVSTJZSA-N 1 0 470.662 4.429 20 0 JIADRO COc1cc(NC(=S)N2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(OC)cc1Cl ZINC001200535101 1068845950 /nfs/dbraw/zinc/84/59/50/1068845950.db2.gz HDCTZNPIJMJYPZ-UHFFFAOYSA-N 1 0 476.042 4.421 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300492307 1068858203 /nfs/dbraw/zinc/85/82/03/1068858203.db2.gz OURXIWJEXPCHHU-JPYJTQIMSA-N 1 0 495.590 4.358 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@H](SC)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300501440 1068870230 /nfs/dbraw/zinc/87/02/30/1068870230.db2.gz KIODDYMHQCLMOU-MBSDFSHPSA-N 1 0 461.701 4.113 20 0 JIADRO COc1ccc(CC[NH+]2CCC(NC(=S)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1 ZINC001200550567 1068871041 /nfs/dbraw/zinc/87/10/41/1068871041.db2.gz LGEWTNAODOQXDW-UHFFFAOYSA-N 1 0 464.031 4.359 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1sccc1Br ZINC001300507478 1068881896 /nfs/dbraw/zinc/88/18/96/1068881896.db2.gz ONRPQONYCLFABV-UHFFFAOYSA-N 1 0 476.444 4.356 20 0 JIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@H](C)C1 ZINC001354075695 1068882409 /nfs/dbraw/zinc/88/24/09/1068882409.db2.gz GIMXECAZFYVXPB-UZLBHIALSA-N 1 0 459.432 4.316 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300513768 1068894992 /nfs/dbraw/zinc/89/49/92/1068894992.db2.gz PXLWVNFCQFHRFX-VAMGGRTRSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[C@H]1C ZINC001300513776 1068895008 /nfs/dbraw/zinc/89/50/08/1068895008.db2.gz QBEXNFDSPQDYHM-WOJBJXKFSA-N 1 0 495.590 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300515316 1068897551 /nfs/dbraw/zinc/89/75/51/1068897551.db2.gz SXNCXRNYWVCUCK-LEWJYISDSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300517786 1068903112 /nfs/dbraw/zinc/90/31/12/1068903112.db2.gz NNPLDSKAKPIOFN-HKUYNNGSSA-N 1 0 481.544 4.086 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001300520248 1068910551 /nfs/dbraw/zinc/91/05/51/1068910551.db2.gz YQNFKLAUYZVQGU-SANMLTNESA-N 1 0 455.647 4.470 20 0 JIADRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001472262644 1068917877 /nfs/dbraw/zinc/91/78/77/1068917877.db2.gz ATSOCEITIXLMDB-KRWDZBQOSA-N 1 0 456.425 4.061 20 0 JIADRO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001300523725 1068921092 /nfs/dbraw/zinc/92/10/92/1068921092.db2.gz AXLOJQSKAUKWBI-YPAWHYETSA-N 1 0 469.674 4.367 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300535574 1068955148 /nfs/dbraw/zinc/95/51/48/1068955148.db2.gz LGNVCMOPYZSJDO-NRFANRHFSA-N 1 0 468.671 4.399 20 0 JIADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)C2=O)cc1 ZINC000849201587 1068958314 /nfs/dbraw/zinc/95/83/14/1068958314.db2.gz OHGSTMDZHWLYDP-HHHXNRCGSA-N 1 0 462.594 4.165 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300536934 1068959316 /nfs/dbraw/zinc/95/93/16/1068959316.db2.gz LKKJNVQWDCJAPZ-FQEVSTJZSA-N 1 0 479.673 4.066 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300536987 1068959528 /nfs/dbraw/zinc/95/95/28/1068959528.db2.gz YBXHPZOYLAXOQW-NRFANRHFSA-N 1 0 462.642 4.419 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492569049 1068964693 /nfs/dbraw/zinc/96/46/93/1068964693.db2.gz JXYXDOLTLMSEML-NRFANRHFSA-N 1 0 470.662 4.287 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)on2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300539707 1068967755 /nfs/dbraw/zinc/96/77/55/1068967755.db2.gz LEHPZFZXIKOCSH-WOJBJXKFSA-N 1 0 466.630 4.178 20 0 JIADRO COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1OCCCN1CC[NH+](C)CC1 ZINC001200589916 1068972309 /nfs/dbraw/zinc/97/23/09/1068972309.db2.gz IHRQKRKKNRSGDP-UHFFFAOYSA-N 1 0 467.010 4.313 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCSC(F)(F)F ZINC001492569788 1068976666 /nfs/dbraw/zinc/97/66/66/1068976666.db2.gz IRDZCIQXNDFMMP-UHFFFAOYSA-N 1 0 457.566 4.054 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)[C@H]1c1cccs1 ZINC001354209677 1068979914 /nfs/dbraw/zinc/97/99/14/1068979914.db2.gz JRASPUUPFIORIT-XPNTWCBSSA-N 1 0 455.624 4.439 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)[C@@H]1c1cccs1 ZINC001354209630 1068979953 /nfs/dbraw/zinc/97/99/53/1068979953.db2.gz IRVGNXTVPIAPDC-UXIGCNINSA-N 1 0 450.240 4.143 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300546033 1068983705 /nfs/dbraw/zinc/98/37/05/1068983705.db2.gz BKHSDCOUNDCOJF-JOCHJYFZSA-N 1 0 457.663 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300548544 1068991798 /nfs/dbraw/zinc/99/17/98/1068991798.db2.gz NTZIJISCWOTHFJ-RXVVDRJESA-N 1 0 495.590 4.298 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492586369 1069002431 /nfs/dbraw/zinc/00/24/31/1069002431.db2.gz FJIDHHGNTNUFNR-QFIPXVFZSA-N 1 0 496.700 4.497 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001492587339 1069023524 /nfs/dbraw/zinc/02/35/24/1069023524.db2.gz MXPBHGQOIKKEMS-OAQYLSRUSA-N 1 0 484.689 4.116 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300560462 1069028097 /nfs/dbraw/zinc/02/80/97/1069028097.db2.gz BOLBXYAREWNPIT-WOVHNISZSA-N 1 0 455.647 4.003 20 0 JIADRO C[NH+](C)CCOc1cc(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)ccn1 ZINC001354261503 1069031075 /nfs/dbraw/zinc/03/10/75/1069031075.db2.gz GYLUDSKFCZSLIZ-UHFFFAOYSA-N 1 0 457.328 4.224 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 ZINC000849488640 1069056472 /nfs/dbraw/zinc/05/64/72/1069056472.db2.gz CYFZZLQLPUQTKR-MZKRTTBSSA-N 1 0 496.537 4.256 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849488698 1069056591 /nfs/dbraw/zinc/05/65/91/1069056591.db2.gz IHQLGCPSVUQNHQ-SFTDATJTSA-N 1 0 452.580 4.153 20 0 JIADRO Cc1ccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489933 1069057557 /nfs/dbraw/zinc/05/75/57/1069057557.db2.gz IEPFWYXCVBEPFM-RPWUZVMVSA-N 1 0 456.594 4.496 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492147 1069059519 /nfs/dbraw/zinc/05/95/19/1069059519.db2.gz VSSMNSRHVPTDDN-PZJWPPBQSA-N 1 0 497.393 4.076 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c(F)c1 ZINC000849492474 1069062725 /nfs/dbraw/zinc/06/27/25/1069062725.db2.gz XDEHCTMINXAMIP-QUCCMNQESA-N 1 0 484.601 4.094 20 0 JIADRO COc1cc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492446 1069062734 /nfs/dbraw/zinc/06/27/34/1069062734.db2.gz WZRUIGFZXCSCHO-RTWAWAEBSA-N 1 0 476.568 4.035 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849493625 1069064626 /nfs/dbraw/zinc/06/46/26/1069064626.db2.gz YIDMRYDXVKCRPE-IZLXSDGUSA-N 1 0 496.659 4.462 20 0 JIADRO CCCN(Cc1ccccc1Br)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849495349 1069064660 /nfs/dbraw/zinc/06/46/60/1069064660.db2.gz BUUGWMBCZCKMFS-LEWJYISDSA-N 1 0 461.448 4.435 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492573697 1069065144 /nfs/dbraw/zinc/06/51/44/1069065144.db2.gz AOOACWZWKAPFKA-DHIUTWEWSA-N 1 0 494.728 4.143 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849497299 1069068505 /nfs/dbraw/zinc/06/85/05/1069068505.db2.gz OBBUAYZHFMIPJV-QUCCMNQESA-N 1 0 484.442 4.063 20 0 JIADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849498907 1069070501 /nfs/dbraw/zinc/07/05/01/1069070501.db2.gz VDRDTIIIRJMKMZ-PMACEKPBSA-N 1 0 465.411 4.184 20 0 JIADRO CC(C)c1ccc(OC2CCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500790 1069073062 /nfs/dbraw/zinc/07/30/62/1069073062.db2.gz JDEVOQZBFOPFQG-UIOOFZCWSA-N 1 0 452.643 4.427 20 0 JIADRO Cc1cccc(COc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849501121 1069073135 /nfs/dbraw/zinc/07/31/35/1069073135.db2.gz SSXSSTKFZIGBFA-KAYWLYCHSA-N 1 0 460.622 4.438 20 0 JIADRO Cc1cccc(COc2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849501122 1069073170 /nfs/dbraw/zinc/07/31/70/1069073170.db2.gz SSXSSTKFZIGBFA-RRPNLBNLSA-N 1 0 460.622 4.438 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849501497 1069074064 /nfs/dbraw/zinc/07/40/64/1069074064.db2.gz MVLDUYFSJVQFMD-LEWJYISDSA-N 1 0 470.017 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(I)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849502406 1069074852 /nfs/dbraw/zinc/07/48/52/1069074852.db2.gz ZZIQJBLDOMCOKC-HZPDHXFCSA-N 1 0 486.785 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502000 1069075880 /nfs/dbraw/zinc/07/58/80/1069075880.db2.gz OVPZNMOBCLAJRU-RPWUZVMVSA-N 1 0 476.577 4.180 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503374 1069077802 /nfs/dbraw/zinc/07/78/02/1069077802.db2.gz IGUYVCHXOAJTDF-XKCSPQBFSA-N 1 0 485.401 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503931 1069082437 /nfs/dbraw/zinc/08/24/37/1069082437.db2.gz AEGMYJQWATVHAO-LOSJGSFVSA-N 1 0 465.642 4.277 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504674 1069084233 /nfs/dbraw/zinc/08/42/33/1069084233.db2.gz DJHFJYRKPBPERV-FCHUYYIVSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504676 1069084601 /nfs/dbraw/zinc/08/46/01/1069084601.db2.gz DJHFJYRKPBPERV-VXKWHMMOSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849507158 1069087124 /nfs/dbraw/zinc/08/71/24/1069087124.db2.gz PECHBAZTSLYTCE-IAGOWNOFSA-N 1 0 453.812 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849507755 1069089002 /nfs/dbraw/zinc/08/90/02/1069089002.db2.gz SNJQQQCOTPFOPR-OALUTQOASA-N 1 0 469.973 4.371 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507595 1069089822 /nfs/dbraw/zinc/08/98/22/1069089822.db2.gz DKFNFFACMVZZBJ-VXKWHMMOSA-N 1 0 466.973 4.392 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508633 1069090653 /nfs/dbraw/zinc/09/06/53/1069090653.db2.gz AHPGOSVECDCTTK-PZJWPPBQSA-N 1 0 485.510 4.365 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508655 1069090813 /nfs/dbraw/zinc/09/08/13/1069090813.db2.gz AKVBLCZTOHQWEC-DNQXCXABSA-N 1 0 492.023 4.227 20 0 JIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849510876 1069095258 /nfs/dbraw/zinc/09/52/58/1069095258.db2.gz LXYIBBBHFGTZSB-QKDODKLFSA-N 1 0 478.612 4.482 20 0 JIADRO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)cc2)c1 ZINC001354309140 1069095714 /nfs/dbraw/zinc/09/57/14/1069095714.db2.gz QWIYWEUNLKFGBT-UHFFFAOYSA-N 1 0 456.590 4.319 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849511712 1069096020 /nfs/dbraw/zinc/09/60/20/1069096020.db2.gz SUKCPAIBVIPMFC-RPBOFIJWSA-N 1 0 465.642 4.069 20 0 JIADRO Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513575 1069098156 /nfs/dbraw/zinc/09/81/56/1069098156.db2.gz CMRCMGWVQBWVAR-UXHICEINSA-N 1 0 470.668 4.492 20 0 JIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849515731 1069102633 /nfs/dbraw/zinc/10/26/33/1069102633.db2.gz MRGYAFFPUIGBPJ-RTWAWAEBSA-N 1 0 450.612 4.122 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517399 1069103268 /nfs/dbraw/zinc/10/32/68/1069103268.db2.gz NKMONDQTDSWGLL-RTWAWAEBSA-N 1 0 461.448 4.134 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516995 1069103476 /nfs/dbraw/zinc/10/34/76/1069103476.db2.gz LZCOTWDRSRYYOL-JWQCQUIFSA-N 1 0 468.605 4.314 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3nnc(Cc4cccc(OC)c4)s3)CC2)cc1 ZINC000504187959 1069109651 /nfs/dbraw/zinc/10/96/51/1069109651.db2.gz LUJISLPSYQATPU-UHFFFAOYSA-N 1 0 481.622 4.180 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518719 1069110051 /nfs/dbraw/zinc/11/00/51/1069110051.db2.gz OVBDJBYOZHUJSR-RTWAWAEBSA-N 1 0 451.596 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300580197 1069113306 /nfs/dbraw/zinc/11/33/06/1069113306.db2.gz SGXUQFPTLCRUHA-VQTJNVASSA-N 1 0 487.714 4.097 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849521750 1069115155 /nfs/dbraw/zinc/11/51/55/1069115155.db2.gz GRIJUNUKMCMAOM-DQEYMECFSA-N 1 0 460.578 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849522074 1069115243 /nfs/dbraw/zinc/11/52/43/1069115243.db2.gz JGQDFEUQUYFTGN-ZEQRLZLVSA-N 1 0 460.578 4.196 20 0 JIADRO CCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849523700 1069117297 /nfs/dbraw/zinc/11/72/97/1069117297.db2.gz DVYUIXWLTIUAIB-RTWAWAEBSA-N 1 0 453.612 4.395 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849524097 1069117437 /nfs/dbraw/zinc/11/74/37/1069117437.db2.gz YSCYGKVPIQAUBL-CECAUBDESA-N 1 0 483.415 4.280 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526292 1069121211 /nfs/dbraw/zinc/12/12/11/1069121211.db2.gz RLEBDDKKLDCVQC-RPWUZVMVSA-N 1 0 478.568 4.335 20 0 JIADRO Cc1cc(C)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1I ZINC001354337800 1069121385 /nfs/dbraw/zinc/12/13/85/1069121385.db2.gz AAXUQTRTVXATDE-GOSISDBHSA-N 1 0 452.336 4.458 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525779 1069122619 /nfs/dbraw/zinc/12/26/19/1069122619.db2.gz OOTDFLHZUKJTTH-DHIUTWEWSA-N 1 0 478.666 4.159 20 0 JIADRO COc1cccc(Br)c1[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=S)NC1CC1 ZINC001200640096 1069140319 /nfs/dbraw/zinc/14/03/19/1069140319.db2.gz CDDUPCOTJCZDMH-IEBWSBKVSA-N 1 0 460.441 4.052 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300591792 1069157467 /nfs/dbraw/zinc/15/74/67/1069157467.db2.gz LUJLBSGCDFZKRV-LJQANCHMSA-N 1 0 473.419 4.021 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537518 1069161833 /nfs/dbraw/zinc/16/18/33/1069161833.db2.gz UEMKKSAXEDOLJF-SMIHKQSGSA-N 1 0 452.002 4.142 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300594686 1069166671 /nfs/dbraw/zinc/16/66/71/1069166671.db2.gz JOOYKABRAMZAEB-WOJBJXKFSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(=O)c4cccc(OC)c4)cc3)CC2)c1 ZINC001300597113 1069176653 /nfs/dbraw/zinc/17/66/53/1069176653.db2.gz VBCXRFUHKAAHIL-UHFFFAOYSA-N 1 0 458.558 4.329 20 0 JIADRO CCOC(=O)COc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001354403569 1069184892 /nfs/dbraw/zinc/18/48/92/1069184892.db2.gz FWORTOKJTNTTFC-LOSJGSFVSA-N 1 0 451.563 4.472 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849548814 1069187997 /nfs/dbraw/zinc/18/79/97/1069187997.db2.gz OPXZXNMGGLVKCO-DQEYMECFSA-N 1 0 496.633 4.069 20 0 JIADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001200656284 1069190653 /nfs/dbraw/zinc/19/06/53/1069190653.db2.gz BDYAZGKNDWQNGK-JOCHJYFZSA-N 1 0 459.594 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849553333 1069194793 /nfs/dbraw/zinc/19/47/93/1069194793.db2.gz IYBNWGJHYWNTDS-PMACEKPBSA-N 1 0 460.557 4.351 20 0 JIADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(COCc4ccccc4)cc3)cc2)CC1 ZINC001200658304 1069195647 /nfs/dbraw/zinc/19/56/47/1069195647.db2.gz WIIMUUQKDDKNLM-UHFFFAOYSA-N 1 0 458.606 4.473 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555122 1069200276 /nfs/dbraw/zinc/20/02/76/1069200276.db2.gz XHZJEMUPAUHGTF-FCHUYYIVSA-N 1 0 465.425 4.080 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556949 1069203733 /nfs/dbraw/zinc/20/37/33/1069203733.db2.gz DQSKHYATRJOVFR-NIYJGHKDSA-N 1 0 494.611 4.296 20 0 JIADRO COc1ccc(-c2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1 ZINC000849556688 1069204766 /nfs/dbraw/zinc/20/47/66/1069204766.db2.gz CZKNQWAASGBSCN-GOTSBHOMSA-N 1 0 452.624 4.288 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849557513 1069205306 /nfs/dbraw/zinc/20/53/06/1069205306.db2.gz IEVHHKVYUXGHJR-DNQXCXABSA-N 1 0 451.615 4.392 20 0 JIADRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000849563172 1069211761 /nfs/dbraw/zinc/21/17/61/1069211761.db2.gz PPMBMACMYIVNMG-HJOGWXRNSA-N 1 0 454.659 4.461 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849564328 1069212541 /nfs/dbraw/zinc/21/25/41/1069212541.db2.gz USXTUBIPLQTGQZ-BJKOFHAPSA-N 1 0 489.705 4.310 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849564787 1069214680 /nfs/dbraw/zinc/21/46/80/1069214680.db2.gz RCFHIJKDMZJVFI-OALUTQOASA-N 1 0 461.448 4.091 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849565903 1069216144 /nfs/dbraw/zinc/21/61/44/1069216144.db2.gz XPPGHDFRHYOYRA-WUMKDDEVSA-N 1 0 483.657 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849566241 1069216207 /nfs/dbraw/zinc/21/62/07/1069216207.db2.gz ZRMIPQCFRLHFLU-RTBURBONSA-N 1 0 467.839 4.009 20 0 JIADRO COc1ccc(Oc2ccc(CCNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569039 1069220255 /nfs/dbraw/zinc/22/02/55/1069220255.db2.gz RGPKGUQOLCOYJU-RRPNLBNLSA-N 1 0 476.621 4.394 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cn1 ZINC000849571392 1069222106 /nfs/dbraw/zinc/22/21/06/1069222106.db2.gz IKTXUVLVPUHLDS-SQGPQFPESA-N 1 0 454.924 4.395 20 0 JIADRO CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571044 1069222826 /nfs/dbraw/zinc/22/28/26/1069222826.db2.gz GJQVBEXYQGDBRQ-ROUUACIJSA-N 1 0 473.419 4.005 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCCc3c(Br)cccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849573709 1069225781 /nfs/dbraw/zinc/22/57/81/1069225781.db2.gz RVWWGAHLYOEWIG-UYAOXDASSA-N 1 0 459.432 4.366 20 0 JIADRO CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849575265 1069227352 /nfs/dbraw/zinc/22/73/52/1069227352.db2.gz JTGHUEVCZPAVQE-PMACEKPBSA-N 1 0 493.446 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849579941 1069230632 /nfs/dbraw/zinc/23/06/32/1069230632.db2.gz SXMOFCYNBVMHFA-PMVMPFDFSA-N 1 0 477.678 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849581142 1069231457 /nfs/dbraw/zinc/23/14/57/1069231457.db2.gz FIFAUDYTYYQNAC-MOPGFXCFSA-N 1 0 467.839 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849580733 1069232524 /nfs/dbraw/zinc/23/25/24/1069232524.db2.gz CGIVYTAXJSMKSS-LEWJYISDSA-N 1 0 466.523 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849583088 1069233842 /nfs/dbraw/zinc/23/38/42/1069233842.db2.gz RKFKMVATNWZABY-QHAWAJNXSA-N 1 0 478.468 4.326 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001492575699 1069234093 /nfs/dbraw/zinc/23/40/93/1069234093.db2.gz WDTKSNRVTYSSKF-RUZDIDTESA-N 1 0 490.700 4.191 20 0 JIADRO CC[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000849584123 1069234562 /nfs/dbraw/zinc/23/45/62/1069234562.db2.gz WWHXXQCFNOHSPZ-NZSAHSFTSA-N 1 0 453.414 4.078 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849587282 1069237765 /nfs/dbraw/zinc/23/77/65/1069237765.db2.gz SIJVECUAGHOXLI-CNNODRBYSA-N 1 0 477.422 4.499 20 0 JIADRO CCN(C(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Cl)C(C)C ZINC000849587938 1069239951 /nfs/dbraw/zinc/23/99/51/1069239951.db2.gz JSEZZJDQGZEARD-IRLDBZIGSA-N 1 0 474.049 4.397 20 0 JIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001354467145 1069241667 /nfs/dbraw/zinc/24/16/67/1069241667.db2.gz SXPHQWLQJPPVKA-LJQANCHMSA-N 1 0 453.384 4.229 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cn1 ZINC000849591461 1069241950 /nfs/dbraw/zinc/24/19/50/1069241950.db2.gz IZJQNNNTQXMUBD-VDZJLULYSA-N 1 0 468.816 4.164 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849591679 1069244172 /nfs/dbraw/zinc/24/41/72/1069244172.db2.gz KIVLMEDDUYEXGL-FCHUYYIVSA-N 1 0 499.631 4.305 20 0 JIADRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849593090 1069245403 /nfs/dbraw/zinc/24/54/03/1069245403.db2.gz AXYKLDKIPIIHJX-XZOQPEGZSA-N 1 0 456.594 4.496 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC000849594491 1069245486 /nfs/dbraw/zinc/24/54/86/1069245486.db2.gz UPWMVKRAQRDGGG-ROUUACIJSA-N 1 0 464.035 4.300 20 0 JIADRO Cc1sc(C2(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596372 1069248776 /nfs/dbraw/zinc/24/87/76/1069248776.db2.gz MTZQFDBTXLUHKL-UYAOXDASSA-N 1 0 467.614 4.222 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849596141 1069249416 /nfs/dbraw/zinc/24/94/16/1069249416.db2.gz NHEWQMRNDCFOJR-DHIUTWEWSA-N 1 0 497.640 4.002 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC001300624228 1069253544 /nfs/dbraw/zinc/25/35/44/1069253544.db2.gz JFEFMGKOWGBJJS-BGYRXZFFSA-N 1 0 459.034 4.333 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849597997 1069253819 /nfs/dbraw/zinc/25/38/19/1069253819.db2.gz WOAYAYWXJFNWAT-OIBXWCBGSA-N 1 0 473.459 4.088 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000849597713 1069254181 /nfs/dbraw/zinc/25/41/81/1069254181.db2.gz VKFFHTSQNRROEZ-LSDHHAIUSA-N 1 0 464.410 4.054 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccccc3Br)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849597906 1069254258 /nfs/dbraw/zinc/25/42/58/1069254258.db2.gz WSVADFQDCATJIE-PMACEKPBSA-N 1 0 473.459 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849601427 1069257074 /nfs/dbraw/zinc/25/70/74/1069257074.db2.gz VKGXWJQTGAEEPQ-ZEQRLZLVSA-N 1 0 495.668 4.238 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849603562 1069261631 /nfs/dbraw/zinc/26/16/31/1069261631.db2.gz RBKFTAFRMBZOOJ-FDFHNCONSA-N 1 0 473.459 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849607424 1069263780 /nfs/dbraw/zinc/26/37/80/1069263780.db2.gz VOOQZSSUBQASOV-IPJJNNNSSA-N 1 0 454.018 4.042 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607990 1069264228 /nfs/dbraw/zinc/26/42/28/1069264228.db2.gz MOVZJLRTQLESSM-SFTDATJTSA-N 1 0 459.432 4.194 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607631 1069265842 /nfs/dbraw/zinc/26/58/42/1069265842.db2.gz XJUVHCOGNDBRMX-UXHICEINSA-N 1 0 454.962 4.108 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849608948 1069266389 /nfs/dbraw/zinc/26/63/89/1069266389.db2.gz RCMQREMSYJKIPK-RTBURBONSA-N 1 0 459.432 4.192 20 0 JIADRO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849608982 1069267106 /nfs/dbraw/zinc/26/71/06/1069267106.db2.gz RIPBTJXYRGTZBS-DWLFOUALSA-N 1 0 459.034 4.432 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849610248 1069268026 /nfs/dbraw/zinc/26/80/26/1069268026.db2.gz YTGBYMMFSXVRLF-GOTSBHOMSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849611121 1069269915 /nfs/dbraw/zinc/26/99/15/1069269915.db2.gz UBRIROSDYBODPT-IRXDYDNUSA-N 1 0 462.670 4.078 20 0 JIADRO Cc1ccc(Sc2nsc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849612469 1069271805 /nfs/dbraw/zinc/27/18/05/1069271805.db2.gz LJIMEDHEWJVARU-RTBURBONSA-N 1 0 456.641 4.184 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@H+](C)C1CCCCC1 ZINC001492577648 1069283724 /nfs/dbraw/zinc/28/37/24/1069283724.db2.gz VQUGLHMDNMCWOK-UHFFFAOYSA-N 1 0 469.674 4.277 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492577807 1069286314 /nfs/dbraw/zinc/28/63/14/1069286314.db2.gz XHJGHMOANWMZJQ-QFIPXVFZSA-N 1 0 467.683 4.419 20 0 JIADRO O=C1COC2(C1)CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164388977 718827708 /nfs/dbraw/zinc/82/77/08/718827708.db2.gz FUBAUGZZPDFINC-UHFFFAOYSA-N 1 0 467.997 4.085 20 0 JIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164426114 718919185 /nfs/dbraw/zinc/91/91/85/718919185.db2.gz WPKYRAXSBQDBAX-JOCHJYFZSA-N 1 0 466.960 4.051 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164614100 719010544 /nfs/dbraw/zinc/01/05/44/719010544.db2.gz CGTKUUHLSAQCJP-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164619389 719020316 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/nfs/dbraw/zinc/66/15/78/719661578.db2.gz AEZVXWZAHOSYRK-JOCHJYFZSA-N 1 0 485.632 4.362 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Oc4ccccc4)ncn3)CC2)c2ccccc21 ZINC001164679922 719661743 /nfs/dbraw/zinc/66/17/43/719661743.db2.gz AEZVXWZAHOSYRK-QFIPXVFZSA-N 1 0 485.632 4.362 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3csc4ncnc(Cl)c34)CC2)c2ccccc21 ZINC001164680945 719664976 /nfs/dbraw/zinc/66/49/76/719664976.db2.gz JFDMYXCAMHFZTI-QGZVFWFLSA-N 1 0 484.069 4.438 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(Cl)cccc4n3)CC2)c2ccccc21 ZINC001164680089 719671398 /nfs/dbraw/zinc/67/13/98/719671398.db2.gz BTZQYNQAULQBHN-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164686935 719672085 /nfs/dbraw/zinc/67/20/85/719672085.db2.gz ZBSBEEUGKHQYMH-HXUWFJFHSA-N 1 0 478.040 4.377 20 0 JIADRO COc1ccc2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2c1 ZINC001164682968 719672215 /nfs/dbraw/zinc/67/22/15/719672215.db2.gz QGHLPDGSKQMLLB-QFIPXVFZSA-N 1 0 472.633 4.337 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164686929 719672228 /nfs/dbraw/zinc/67/22/28/719672228.db2.gz ZBSBEEUGKHQYMH-FQEVSTJZSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)c(-c4ccsc4)n3)CC2)c2ccccc21 ZINC001164686486 719682521 /nfs/dbraw/zinc/68/25/21/719682521.db2.gz NQHAFGQGVBLIIK-FQEVSTJZSA-N 1 0 493.652 4.438 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)CC2 ZINC001164687524 719720817 /nfs/dbraw/zinc/72/08/17/719720817.db2.gz YWCJFXMGXKHBPH-UHFFFAOYSA-N 1 0 477.012 4.040 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707714 719906234 /nfs/dbraw/zinc/90/62/34/719906234.db2.gz VXZUGIVTRJNEQW-UHFFFAOYSA-N 1 0 486.972 4.305 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164710021 720106200 /nfs/dbraw/zinc/10/62/00/720106200.db2.gz FPPJCSFHGLXBCH-GOSISDBHSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164714846 720120305 /nfs/dbraw/zinc/12/03/05/720120305.db2.gz CLKITSVRIKMATM-RUZDIDTESA-N 1 0 471.605 4.236 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164718620 720126621 /nfs/dbraw/zinc/12/66/21/720126621.db2.gz TYGUERPNESJTTD-LJQANCHMSA-N 1 0 465.976 4.194 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815870 720139801 /nfs/dbraw/zinc/13/98/01/720139801.db2.gz WPQFIJBADIYDNI-MZNJEOGPSA-N 1 0 493.048 4.050 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164711701 720142778 /nfs/dbraw/zinc/14/27/78/720142778.db2.gz HZARGIYKGXWKCW-QFIPXVFZSA-N 1 0 459.594 4.055 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)n1 ZINC001164712271 720147753 /nfs/dbraw/zinc/14/77/53/720147753.db2.gz MGANRRSEDDUEPN-QGZVFWFLSA-N 1 0 450.414 4.248 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164711734 720148463 /nfs/dbraw/zinc/14/84/63/720148463.db2.gz ISSNWDJJTSWEME-JOCHJYFZSA-N 1 0 489.620 4.063 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164713578 720154381 /nfs/dbraw/zinc/15/43/81/720154381.db2.gz SGCZBFNSAXTYCM-OAQYLSRUSA-N 1 0 465.001 4.095 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818508 720170765 /nfs/dbraw/zinc/17/07/65/720170765.db2.gz SYYQMTWWNMCGRA-HFZDXXHNSA-N 1 0 471.715 4.335 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816361 720172353 /nfs/dbraw/zinc/17/23/53/720172353.db2.gz LAROUKDEAJSMPG-KKSFZXQISA-N 1 0 452.933 4.120 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812449 720175359 /nfs/dbraw/zinc/17/53/59/720175359.db2.gz ASLQXHRHPRVPHF-AOMKIAJQSA-N 1 0 466.960 4.021 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814191 720198901 /nfs/dbraw/zinc/19/89/01/720198901.db2.gz UDYIKVYIGAZNAN-HOYKHHGWSA-N 1 0 458.990 4.116 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(OC)c1)C2 ZINC001164815492 720199366 /nfs/dbraw/zinc/19/93/66/720199366.db2.gz ZZBZHFYZQUETOD-KOSHJBKYSA-N 1 0 458.990 4.116 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810911 720200761 /nfs/dbraw/zinc/20/07/61/720200761.db2.gz FMNFFIVGGDHMFL-CCLHPLFOSA-N 1 0 491.039 4.439 20 0 JIADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718149 720200927 /nfs/dbraw/zinc/20/09/27/720200927.db2.gz XRYBYPARONNLDI-HHHXNRCGSA-N 1 0 495.631 4.155 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CCC2 ZINC001164813419 720225864 /nfs/dbraw/zinc/22/58/64/720225864.db2.gz LTPHSJUEIVOOEQ-UHFFFAOYSA-N 1 0 497.377 4.289 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc3ccccc3nc1Cl)CCC2 ZINC001164813965 720231374 /nfs/dbraw/zinc/23/13/74/720231374.db2.gz SKGHBDKRCGNAGH-UHFFFAOYSA-N 1 0 461.944 4.240 20 0 JIADRO CSCc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C2)n1)CCCC3 ZINC001164812700 720236681 /nfs/dbraw/zinc/23/66/81/720236681.db2.gz HPMGWURQVAODHA-UHFFFAOYSA-N 1 0 498.722 4.240 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164816366 720245709 /nfs/dbraw/zinc/24/57/09/720245709.db2.gz IKJDASYVCCRPOT-UHFFFAOYSA-N 1 0 468.989 4.038 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164825207 720306071 /nfs/dbraw/zinc/30/60/71/720306071.db2.gz STYNILUQDQWCRL-MOPGFXCFSA-N 1 0 467.664 4.331 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164823789 720311233 /nfs/dbraw/zinc/31/12/33/720311233.db2.gz PWVCMQCFOVMGME-OALUTQOASA-N 1 0 498.405 4.393 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164829406 720338013 /nfs/dbraw/zinc/33/80/13/720338013.db2.gz SBZWLXCQYSUIBR-PKTZIBPZSA-N 1 0 491.661 4.278 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827490 720339615 /nfs/dbraw/zinc/33/96/15/720339615.db2.gz MHIOTEOHDLYQNA-FCHUYYIVSA-N 1 0 498.741 4.061 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164822252 720350474 /nfs/dbraw/zinc/35/04/74/720350474.db2.gz CXJXIIKJZKSULR-HZPDHXFCSA-N 1 0 480.909 4.210 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164826491 720354049 /nfs/dbraw/zinc/35/40/49/720354049.db2.gz KDLLPXWSNZBGRE-FGZHOGPDSA-N 1 0 484.044 4.396 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835027 720530074 /nfs/dbraw/zinc/53/00/74/720530074.db2.gz GTRPFQOBQKIALT-DJPFJPOOSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC[C@@H]21 ZINC001164835028 720531139 /nfs/dbraw/zinc/53/11/39/720531139.db2.gz GTRPFQOBQKIALT-MDKPJZGXSA-N 1 0 460.960 4.402 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164735588 720546515 /nfs/dbraw/zinc/54/65/15/720546515.db2.gz PWCCXCUQZKBQCL-LJQANCHMSA-N 1 0 457.688 4.420 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164739050 720594176 /nfs/dbraw/zinc/59/41/76/720594176.db2.gz DNQDLLFMXIUJFE-UHFFFAOYSA-N 1 0 452.990 4.340 20 0 JIADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835587 720594112 /nfs/dbraw/zinc/59/41/12/720594112.db2.gz BNJLTKFZCBTOKL-CNNODRBYSA-N 1 0 483.016 4.034 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]21 ZINC001164841263 720603457 /nfs/dbraw/zinc/60/34/57/720603457.db2.gz RUGCVEGTPWFZGV-CZSZKKDXSA-N 1 0 453.594 4.266 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835273 720604091 /nfs/dbraw/zinc/60/40/91/720604091.db2.gz AUYPLEBCKNNZDJ-YTFSRNRJSA-N 1 0 493.725 4.478 20 0 JIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)o2)cc1 ZINC001164835604 720609910 /nfs/dbraw/zinc/60/99/10/720609910.db2.gz BSPJMYBXSOEYPO-BHIFYINESA-N 1 0 457.582 4.168 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164836773 720616237 /nfs/dbraw/zinc/61/62/37/720616237.db2.gz GVQDVDRWGSAQDP-DSITVLBTSA-N 1 0 459.594 4.013 20 0 JIADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837230 720634190 /nfs/dbraw/zinc/63/41/90/720634190.db2.gz HRXGCGGTJZXOEB-PQNGQFLHSA-N 1 0 462.598 4.160 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840148 720638821 /nfs/dbraw/zinc/63/88/21/720638821.db2.gz PDOJPPKSGXHBIX-AKIFATBCSA-N 1 0 467.017 4.283 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839801 720679713 /nfs/dbraw/zinc/67/97/13/720679713.db2.gz BWBVNSBHKYINSZ-HXUWFJFHSA-N 1 0 458.002 4.480 20 0 JIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841022 720711718 /nfs/dbraw/zinc/71/17/18/720711718.db2.gz UJJBWRQWEFXKNP-DHLKQENFSA-N 1 0 462.638 4.214 20 0 JIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844400 720741281 /nfs/dbraw/zinc/74/12/81/720741281.db2.gz RKVQFJCOZIOPIF-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO COc1ccc2c(c1)nc(N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164743937 720762036 /nfs/dbraw/zinc/76/20/36/720762036.db2.gz QPYMNEAFWMDATQ-IFMALSPDSA-N 1 0 453.546 4.042 20 0 JIADRO c1c(-c2ccccc2)c2c(ncnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164740400 720762703 /nfs/dbraw/zinc/76/27/03/720762703.db2.gz KTCTXLZEARTNQO-RPWUZVMVSA-N 1 0 489.583 4.219 20 0 JIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747523 720840581 /nfs/dbraw/zinc/84/05/81/720840581.db2.gz RBFLOOAVSNRZBG-NPPFBWRTSA-N 1 0 472.971 4.404 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164853831 720844968 /nfs/dbraw/zinc/84/49/68/720844968.db2.gz PSFZVPWJKJAIPM-FDDCHVKYSA-N 1 0 470.976 4.263 20 0 JIADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164744624 720846053 /nfs/dbraw/zinc/84/60/53/720846053.db2.gz LAALRLOQAOCMOY-PCCBWWKXSA-N 1 0 451.663 4.043 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cs1 ZINC001164751063 720848292 /nfs/dbraw/zinc/84/82/92/720848292.db2.gz YFAUBEHZUHVKTH-PQNGQFLHSA-N 1 0 471.634 4.329 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cs1 ZINC001164751066 720848609 /nfs/dbraw/zinc/84/86/09/720848609.db2.gz YFAUBEHZUHVKTH-ZFGGDYGUSA-N 1 0 471.634 4.329 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164852001 720862279 /nfs/dbraw/zinc/86/22/79/720862279.db2.gz BOGYQDJMJOIVSU-AUSIDOKSSA-N 1 0 452.986 4.124 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750080 720868076 /nfs/dbraw/zinc/86/80/76/720868076.db2.gz ITGDKARQQCJMPG-NVQXNPDNSA-N 1 0 485.028 4.062 20 0 JIADRO Cc1sc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164748553 720875574 /nfs/dbraw/zinc/87/55/74/720875574.db2.gz FWRWMZCZNZIHKV-BKMJKUGQSA-N 1 0 463.651 4.458 20 0 JIADRO Clc1nc2ccoc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747999 720875639 /nfs/dbraw/zinc/87/56/39/720875639.db2.gz DFLQDJUQVWEWPT-NTKDMRAZSA-N 1 0 453.974 4.026 20 0 JIADRO Cc1sc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164748555 720875941 /nfs/dbraw/zinc/87/59/41/720875941.db2.gz FWRWMZCZNZIHKV-GJZUVCINSA-N 1 0 463.651 4.458 20 0 JIADRO CSc1ncc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755494 720877294 /nfs/dbraw/zinc/87/72/94/720877294.db2.gz XXKIPMWLOSJKQT-XXBNENTESA-N 1 0 460.047 4.002 20 0 JIADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748394 720878378 /nfs/dbraw/zinc/87/83/78/720878378.db2.gz DPQWLQVPGVBBNT-LVXARBLLSA-N 1 0 468.045 4.159 20 0 JIADRO Clc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753417 720878524 /nfs/dbraw/zinc/87/85/24/720878524.db2.gz PJRJDLSWVXRTAX-CPJSRVTESA-N 1 0 452.002 4.366 20 0 JIADRO COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756599 720884758 /nfs/dbraw/zinc/88/47/58/720884758.db2.gz QTROEOTXYAIXCO-ABYGYWHVSA-N 1 0 486.616 4.172 20 0 JIADRO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164751790 720885741 /nfs/dbraw/zinc/88/57/41/720885741.db2.gz DRJASSXYWFZXMB-IRPSRAIASA-N 1 0 486.616 4.172 20 0 JIADRO Clc1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164758888 720886370 /nfs/dbraw/zinc/88/63/70/720886370.db2.gz ZZUQHWBVEGEDEX-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO CSc1nc(Cl)ncc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757867 720889596 /nfs/dbraw/zinc/88/95/96/720889596.db2.gz VZUMKYAGLCJAFX-AUSIDOKSSA-N 1 0 460.047 4.002 20 0 JIADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756271 720891164 /nfs/dbraw/zinc/89/11/64/720891164.db2.gz OZWJJKOXNQDKSM-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752534 720895083 /nfs/dbraw/zinc/89/50/83/720895083.db2.gz DXJTVKGHKDVNSA-XXBNENTESA-N 1 0 477.987 4.012 20 0 JIADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755327 720902674 /nfs/dbraw/zinc/90/26/74/720902674.db2.gz KZSIFOKGKBADAL-AVRDEDQJSA-N 1 0 496.027 4.114 20 0 JIADRO Clc1ccnc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754457 720903143 /nfs/dbraw/zinc/90/31/43/720903143.db2.gz IZROZFJAGBCQEB-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1nc2c(Cl)nccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164746451 720906949 /nfs/dbraw/zinc/90/69/49/720906949.db2.gz AEPDAODDWQNENP-UQBPGWFLSA-N 1 0 499.446 4.482 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164753632 720908040 /nfs/dbraw/zinc/90/80/40/720908040.db2.gz RSIHHNLMUBGSIC-JIPXPUAJSA-N 1 0 475.662 4.330 20 0 JIADRO Fc1ccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751298 720915808 /nfs/dbraw/zinc/91/58/08/720915808.db2.gz LDNRPWAXEHUSMU-UFHPHHKVSA-N 1 0 473.596 4.433 20 0 JIADRO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753140 720915884 /nfs/dbraw/zinc/91/58/84/720915884.db2.gz QJLXPHTWODAORC-GIGWZHCTSA-N 1 0 485.632 4.302 20 0 JIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccco2)n1 ZINC001164754633 720920411 /nfs/dbraw/zinc/92/04/11/720920411.db2.gz WLRKFFOLRXWWAC-KCWPFWIISA-N 1 0 459.594 4.195 20 0 JIADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754696 720935149 /nfs/dbraw/zinc/93/51/49/720935149.db2.gz XLSWNUHPSVTLCQ-NVQXNPDNSA-N 1 0 479.625 4.494 20 0 JIADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164748029 720938765 /nfs/dbraw/zinc/93/87/65/720938765.db2.gz FGCOTOFFSVFWOK-LYZGTLIUSA-N 1 0 486.595 4.400 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@@H]2C ZINC001164860305 721007873 /nfs/dbraw/zinc/00/78/73/721007873.db2.gz KTPYYFRHTLDBTI-OAHLLOKOSA-N 1 0 461.948 4.355 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc5scnc5c(N5CCOCC5)n4)CC3)CC2)cc1 ZINC001164760626 721043140 /nfs/dbraw/zinc/04/31/40/721043140.db2.gz YROJGOJOGSIMLN-UHFFFAOYSA-N 1 0 478.666 4.114 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC3)CC2)cc1 ZINC001164759614 721046677 /nfs/dbraw/zinc/04/66/77/721046677.db2.gz QHEGOEUSZBVDEY-NRFANRHFSA-N 1 0 457.018 4.489 20 0 JIADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866378 721097334 /nfs/dbraw/zinc/09/73/34/721097334.db2.gz SXOOXWHLEBGQRX-CVEARBPZSA-N 1 0 480.346 4.356 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164880727 721144182 /nfs/dbraw/zinc/14/41/82/721144182.db2.gz XIMAEENIZGEQLE-GOTSBHOMSA-N 1 0 455.537 4.311 20 0 JIADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164879002 721144352 /nfs/dbraw/zinc/14/43/52/721144352.db2.gz RFWMQVWUNCXJHK-RTWAWAEBSA-N 1 0 484.629 4.117 20 0 JIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164773265 721154511 /nfs/dbraw/zinc/15/45/11/721154511.db2.gz XPBLABBCWQIXFY-SFTDATJTSA-N 1 0 456.569 4.436 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765690 721159990 /nfs/dbraw/zinc/15/99/90/721159990.db2.gz KCNIEELVUDJVSR-MOPGFXCFSA-N 1 0 458.944 4.034 20 0 JIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879120 721164540 /nfs/dbraw/zinc/16/45/40/721164540.db2.gz RVPVMMQIVMNYPR-NHCUHLMSSA-N 1 0 471.939 4.217 20 0 JIADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870279 721184727 /nfs/dbraw/zinc/18/47/27/721184727.db2.gz CGPBIIZELHKWOD-ICSRJNTNSA-N 1 0 472.376 4.450 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881190 721185013 /nfs/dbraw/zinc/18/50/13/721185013.db2.gz ZOAVBJJRCJAPIN-TZIWHRDSSA-N 1 0 451.958 4.105 20 0 JIADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876389 721185094 /nfs/dbraw/zinc/18/50/94/721185094.db2.gz MDBVPSXEJAIXDQ-MSOLQXFVSA-N 1 0 472.376 4.450 20 0 JIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164761397 721245093 /nfs/dbraw/zinc/24/50/93/721245093.db2.gz HYDRFOVKHDQYTK-RTBURBONSA-N 1 0 488.970 4.042 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@H]54)ccc3C2)cc1 ZINC001164879719 721247709 /nfs/dbraw/zinc/24/77/09/721247709.db2.gz YDNJAJYCQSBQHX-OIKPOIBNSA-N 1 0 456.590 4.240 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5cccc(F)c5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164762949 721248106 /nfs/dbraw/zinc/24/81/06/721248106.db2.gz LUHAQMYMIAWLQM-MSOLQXFVSA-N 1 0 476.934 4.173 20 0 JIADRO Cc1sc2nc(-c3cccs3)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872967 721284783 /nfs/dbraw/zinc/28/47/83/721284783.db2.gz KDIQQZXVFDKGLB-UHFFFAOYSA-N 1 0 499.706 4.044 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ncnc(Cl)c43)C2)C1 ZINC001164787033 721363417 /nfs/dbraw/zinc/36/34/17/721363417.db2.gz XKZFWNJVPFZQEI-QHCPKHFHSA-N 1 0 459.953 4.146 20 0 JIADRO CSc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164780126 721375106 /nfs/dbraw/zinc/37/51/06/721375106.db2.gz DSXQZPXWDNCWPY-DEOSSOPVSA-N 1 0 453.612 4.076 20 0 JIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780183 721377032 /nfs/dbraw/zinc/37/70/32/721377032.db2.gz FHTKZRPBTSBVET-NSYGIPOTSA-N 1 0 452.603 4.195 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889438 721404680 /nfs/dbraw/zinc/40/46/80/721404680.db2.gz QNIDVQILSHVVLL-OFNKIYASSA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897846 721426185 /nfs/dbraw/zinc/42/61/85/721426185.db2.gz UUKFGADQZKPJFH-MBSDFSHPSA-N 1 0 464.988 4.199 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164894909 721435082 /nfs/dbraw/zinc/43/50/82/721435082.db2.gz NEZQGYSTHSUCND-AMGIVPHBSA-N 1 0 492.693 4.136 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899298 721436439 /nfs/dbraw/zinc/43/64/39/721436439.db2.gz YGPOTVSMZYXWHD-RLWLMLJZSA-N 1 0 463.651 4.124 20 0 JIADRO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164784415 721440986 /nfs/dbraw/zinc/44/09/86/721440986.db2.gz PRDASUNFWNSFOC-MHZLTWQESA-N 1 0 480.616 4.089 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892284 721443633 /nfs/dbraw/zinc/44/36/33/721443633.db2.gz HYNAURHJSACEHK-URXFXBBRSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C3)O2)CC1 ZINC001164896173 721445794 /nfs/dbraw/zinc/44/57/94/721445794.db2.gz QTWUHQDZGYDNSI-UUOWRZLLSA-N 1 0 494.442 4.355 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885503 721453403 /nfs/dbraw/zinc/45/34/03/721453403.db2.gz FAJDLFSAZZVLOR-NTKDMRAZSA-N 1 0 483.047 4.314 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164783712 721458862 /nfs/dbraw/zinc/45/88/62/721458862.db2.gz FYICNJZGXHEBOW-OAQYLSRUSA-N 1 0 458.672 4.350 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164787827 721459073 /nfs/dbraw/zinc/45/90/73/721459073.db2.gz SNPRQGZKAKBOGZ-QFIPXVFZSA-N 1 0 475.637 4.359 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164787480 721459931 /nfs/dbraw/zinc/45/99/31/721459931.db2.gz RAEOUBOIXZJRBX-OAQYLSRUSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789255 721459965 /nfs/dbraw/zinc/45/99/65/721459965.db2.gz WBLPAIPMSUMDOY-QFIPXVFZSA-N 1 0 453.627 4.286 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164790221 721462548 /nfs/dbraw/zinc/46/25/48/721462548.db2.gz ZUKQKCVHLHRBIE-IBGZPJMESA-N 1 0 473.008 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164783304 721464396 /nfs/dbraw/zinc/46/43/96/721464396.db2.gz DFQJDCFVKPOOGT-IBGZPJMESA-N 1 0 451.055 4.161 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(C)c3)nn1)CC2 ZINC001164787976 721467389 /nfs/dbraw/zinc/46/73/89/721467389.db2.gz HIUUNPSEIDEJMT-DEOSSOPVSA-N 1 0 450.627 4.186 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164788753 721470979 /nfs/dbraw/zinc/47/09/79/721470979.db2.gz JOONNGHWJBJDSU-NRFANRHFSA-N 1 0 493.677 4.487 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164792532 721489821 /nfs/dbraw/zinc/48/98/21/721489821.db2.gz KDHJDJZNCGDWIC-UHFFFAOYSA-N 1 0 465.623 4.452 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2c1 ZINC001164791856 721490484 /nfs/dbraw/zinc/49/04/84/721490484.db2.gz FWMBNSXCNAKYLY-UHFFFAOYSA-N 1 0 465.985 4.346 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164792297 721495580 /nfs/dbraw/zinc/49/55/80/721495580.db2.gz NFLCZTFGTWRVGC-UHFFFAOYSA-N 1 0 476.625 4.254 20 0 JIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[N@@H+]3C2)c1 ZINC001164905432 721555509 /nfs/dbraw/zinc/55/55/09/721555509.db2.gz HLGOKLXLHRQNIC-WBVHZDCISA-N 1 0 464.875 4.416 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164805420 721576699 /nfs/dbraw/zinc/57/66/99/721576699.db2.gz NTGOIHNLBRYSSY-NRYAXDJKSA-N 1 0 469.948 4.325 20 0 JIADRO O=C(NC1CCCCC1)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904286 721586100 /nfs/dbraw/zinc/58/61/00/721586100.db2.gz FDFMAGABOABUMA-VWLOTQADSA-N 1 0 469.580 4.277 20 0 JIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905431 721586197 /nfs/dbraw/zinc/58/61/97/721586197.db2.gz JDXBTJKLJNDLMV-KRWDZBQOSA-N 1 0 464.294 4.461 20 0 JIADRO COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904294 721586393 /nfs/dbraw/zinc/58/63/93/721586393.db2.gz FHXHINVCBILDNF-LJQANCHMSA-N 1 0 458.887 4.421 20 0 JIADRO FC1(F)CCN(c2cncc(OCc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908011 721692893 /nfs/dbraw/zinc/69/28/93/721692893.db2.gz XZHLPHKHWMLXAN-DEOSSOPVSA-N 1 0 451.521 4.188 20 0 JIADRO COC(=O)c1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906970 721699157 /nfs/dbraw/zinc/69/91/57/721699157.db2.gz PPXRQJABULFXTR-XMMPIXPASA-N 1 0 452.505 4.154 20 0 JIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907381 721704774 /nfs/dbraw/zinc/70/47/74/721704774.db2.gz RIWLCJTUKWDGAB-RUZDIDTESA-N 1 0 498.578 4.111 20 0 JIADRO COc1cccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907335 721716012 /nfs/dbraw/zinc/71/60/12/721716012.db2.gz QZDBPYIAOCSEGB-DEOSSOPVSA-N 1 0 451.521 4.285 20 0 JIADRO COc1ccccc1-c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909122 721727206 /nfs/dbraw/zinc/72/72/06/721727206.db2.gz BYKNVYXBWOFUGY-DEOSSOPVSA-N 1 0 451.521 4.285 20 0 JIADRO O=C1N(c2cccnc2)CC[C@@]12CN(c1ncccc1C[NH+]1CCCC1)C[C@@H]2c1ccccc1 ZINC001164912846 721742692 /nfs/dbraw/zinc/74/26/92/721742692.db2.gz QNIXFEUKPYWQHA-NAKRPHOHSA-N 1 0 453.590 4.100 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001165009197 721744526 /nfs/dbraw/zinc/74/45/26/721744526.db2.gz ACEVAKOJPHFHBO-UHFFFAOYSA-N 1 0 464.013 4.473 20 0 JIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC001165009330 721744879 /nfs/dbraw/zinc/74/48/79/721744879.db2.gz BMOSQGFFVJYSNS-UHFFFAOYSA-N 1 0 481.691 4.432 20 0 JIADRO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164918618 721809465 /nfs/dbraw/zinc/80/94/65/721809465.db2.gz RWFOHIGYDWUEOW-WFIHMLKPSA-N 1 0 476.646 4.297 20 0 JIADRO 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O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164994046 722207204 /nfs/dbraw/zinc/20/72/04/722207204.db2.gz DULUCKPTZLCQHJ-SANMLTNESA-N 1 0 491.592 4.052 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998015 722220323 /nfs/dbraw/zinc/22/03/23/722220323.db2.gz GNVVLJBXFVQKPO-AJTFRIOCSA-N 1 0 462.594 4.381 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)CCC2 ZINC001165000448 722252269 /nfs/dbraw/zinc/25/22/69/722252269.db2.gz PTDBTGVVLCEJKE-UHFFFAOYSA-N 1 0 469.804 4.275 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CCC2 ZINC001165002930 722254132 /nfs/dbraw/zinc/25/41/32/722254132.db2.gz XOXXNNKAGNUDBC-UHFFFAOYSA-N 1 0 485.366 4.167 20 0 JIADRO CCOC(=O)c1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]c1C ZINC001354544989 1069319202 /nfs/dbraw/zinc/31/92/02/1069319202.db2.gz DPULMBDHSZHENN-GOSISDBHSA-N 1 0 451.489 4.026 20 0 JIADRO 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COc1ccccc1SCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300670259 1069400973 /nfs/dbraw/zinc/40/09/73/1069400973.db2.gz RBIVMSUUXHJVKS-SIKLNZKXSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCOC(C)(C)C ZINC001300670746 1069403410 /nfs/dbraw/zinc/40/34/10/1069403410.db2.gz WVONEURIFYCTOH-RTBURBONSA-N 1 0 459.660 4.067 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359347107 1069419002 /nfs/dbraw/zinc/41/90/02/1069419002.db2.gz DXQNNCLABASWTJ-ZBJSNUHESA-N 1 0 464.658 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCn1nc(C)cc1C ZINC001300677102 1069429144 /nfs/dbraw/zinc/42/91/44/1069429144.db2.gz LEDUZWJSCOWUQI-UHFFFAOYSA-N 1 0 497.713 4.403 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC=CO1 ZINC001300677070 1069429340 /nfs/dbraw/zinc/42/93/40/1069429340.db2.gz SWRUDICAABWBMM-FQEVSTJZSA-N 1 0 457.644 4.239 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359351629 1069434080 /nfs/dbraw/zinc/43/40/80/1069434080.db2.gz SMUHIKCASKRJQJ-JOCHJYFZSA-N 1 0 496.700 4.301 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359351718 1069435304 /nfs/dbraw/zinc/43/53/04/1069435304.db2.gz VZFNNRIXBYXQNV-UHFFFAOYSA-N 1 0 477.028 4.059 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300678105 1069435479 /nfs/dbraw/zinc/43/54/79/1069435479.db2.gz BXMYCOQROZZEMJ-UHFFFAOYSA-N 1 0 487.714 4.441 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359354014 1069437672 /nfs/dbraw/zinc/43/76/72/1069437672.db2.gz WHPBSWCNVXPROO-LYZGTLIUSA-N 1 0 480.701 4.135 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359354572 1069439710 /nfs/dbraw/zinc/43/97/10/1069439710.db2.gz RBXOZSYWDYDMTP-NZQKXSOJSA-N 1 0 496.700 4.041 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001359358130 1069449654 /nfs/dbraw/zinc/44/96/54/1069449654.db2.gz UHYDQOPUURAADY-UYAOXDASSA-N 1 0 479.044 4.019 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359362814 1069454574 /nfs/dbraw/zinc/45/45/74/1069454574.db2.gz FEZMPKUBAFIUSV-WXFUMESZSA-N 1 0 490.737 4.010 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359363258 1069455833 /nfs/dbraw/zinc/45/58/33/1069455833.db2.gz NZKBANQKKAMKHX-XMMPIXPASA-N 1 0 496.700 4.043 20 0 JIADRO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001359365870 1069461551 /nfs/dbraw/zinc/46/15/51/1069461551.db2.gz NXHGJGXXGNJYFC-ATIYNZHBSA-N 1 0 480.701 4.224 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359375476 1069481800 /nfs/dbraw/zinc/48/18/00/1069481800.db2.gz OPDPFGDDJPONLC-FQEVSTJZSA-N 1 0 491.036 4.161 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359378432 1069483429 /nfs/dbraw/zinc/48/34/29/1069483429.db2.gz OKGRUDJEUQNLAH-DEOSSOPVSA-N 1 0 496.700 4.187 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001359397595 1069504001 /nfs/dbraw/zinc/50/40/01/1069504001.db2.gz FRUWOJZLCXPHJV-LADGPHEKSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359413454 1069534237 /nfs/dbraw/zinc/53/42/37/1069534237.db2.gz ZMOPFUKFYXTOKC-QUVATAORSA-N 1 0 481.689 4.044 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3ccc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359414613 1069539080 /nfs/dbraw/zinc/53/90/80/1069539080.db2.gz RYROKMFQKFYGRG-UHFFFAOYSA-N 1 0 493.700 4.283 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359423657 1069547938 /nfs/dbraw/zinc/54/79/38/1069547938.db2.gz NZXNHWUQZJSCFG-DHLKQENFSA-N 1 0 480.701 4.069 20 0 JIADRO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359425951 1069551444 /nfs/dbraw/zinc/55/14/44/1069551444.db2.gz QUQLNZIHYFKJMI-REWPJTCUSA-N 1 0 494.640 4.036 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359433228 1069560020 /nfs/dbraw/zinc/56/00/20/1069560020.db2.gz DMKQRPOZDYWMDQ-WMZHIEFXSA-N 1 0 491.055 4.211 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359439511 1069569628 /nfs/dbraw/zinc/56/96/28/1069569628.db2.gz XNLMJJCEMKYHMT-XMMPIXPASA-N 1 0 496.700 4.091 20 0 JIADRO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC(F)(F)F)cc1 ZINC001359497907 1069741438 /nfs/dbraw/zinc/74/14/38/1069741438.db2.gz HTFGZPGSJNYPSZ-SFHVURJKSA-N 1 0 451.537 4.391 20 0 JIADRO CC(C)(C)c1nccc(CCCn2c([C@H]3CCCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001359501157 1069762673 /nfs/dbraw/zinc/76/26/73/1069762673.db2.gz WFLHDNDOMZFRMV-OAQYLSRUSA-N 1 0 469.678 4.161 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359503020 1069768391 /nfs/dbraw/zinc/76/83/91/1069768391.db2.gz DFGPVQPQOIDUQG-ZDUSSCGKSA-N 1 0 453.475 4.381 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359505210 1069775700 /nfs/dbraw/zinc/77/57/00/1069775700.db2.gz SWKHKVJJAOZZCF-OAHLLOKOSA-N 1 0 456.582 4.411 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359505781 1069776934 /nfs/dbraw/zinc/77/69/34/1069776934.db2.gz PKNRRBMVOHPWRB-KRWDZBQOSA-N 1 0 466.552 4.133 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359517322 1069804357 /nfs/dbraw/zinc/80/43/57/1069804357.db2.gz SHYJEFRVTSDCCW-WMZOPIPTSA-N 1 0 455.525 4.163 20 0 JIADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359514318 1069800955 /nfs/dbraw/zinc/80/09/55/1069800955.db2.gz DHQBAQBUJXGKGE-UHFFFAOYSA-N 1 0 465.564 4.377 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001359519473 1069806227 /nfs/dbraw/zinc/80/62/27/1069806227.db2.gz JLVWUQROZQXZBI-HKUYNNGSSA-N 1 0 493.494 4.145 20 0 JIADRO CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001359520092 1069807537 /nfs/dbraw/zinc/80/75/37/1069807537.db2.gz ZBFFJAWBVXQJAE-PMACEKPBSA-N 1 0 461.054 4.103 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359522433 1069810643 /nfs/dbraw/zinc/81/06/43/1069810643.db2.gz SRQPUXJXXWHWBF-LJQANCHMSA-N 1 0 472.703 4.407 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001359529510 1069819875 /nfs/dbraw/zinc/81/98/75/1069819875.db2.gz WXFUMYGGWATBTC-UHFFFAOYSA-N 1 0 491.627 4.259 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCC[NH+]1CCCC1 ZINC001359529997 1069820550 /nfs/dbraw/zinc/82/05/50/1069820550.db2.gz OBGUZGMMBHLAPV-UHFFFAOYSA-N 1 0 467.584 4.409 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359532645 1069825240 /nfs/dbraw/zinc/82/52/40/1069825240.db2.gz YNPGHWKQINLBJB-UHFFFAOYSA-N 1 0 483.701 4.224 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCC(=O)NCc1ccccc1 ZINC001359537435 1069832440 /nfs/dbraw/zinc/83/24/40/1069832440.db2.gz YGHXCBDUJJXZHY-UHFFFAOYSA-N 1 0 466.674 4.028 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359540560 1069838204 /nfs/dbraw/zinc/83/82/04/1069838204.db2.gz ZUNKEIJWRSYCTJ-NRFANRHFSA-N 1 0 484.655 4.453 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359539914 1069837102 /nfs/dbraw/zinc/83/71/02/1069837102.db2.gz AFNXLOFTCLXMEV-QFIPXVFZSA-N 1 0 492.634 4.116 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC[NH+]1CCSCC1 ZINC001359541723 1069839455 /nfs/dbraw/zinc/83/94/55/1069839455.db2.gz HINOERPSDPQJSC-HXUWFJFHSA-N 1 0 482.069 4.286 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001300793797 1069844340 /nfs/dbraw/zinc/84/43/40/1069844340.db2.gz BJMLJNLGTWKDBR-NNMXDRDESA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300793799 1069844363 /nfs/dbraw/zinc/84/43/63/1069844363.db2.gz BJMLJNLGTWKDBR-WOIUINJBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001300794132 1069844706 /nfs/dbraw/zinc/84/47/06/1069844706.db2.gz IHBKKLGIXYKZDI-FXAWDEMLSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCCC2)CC[C@H]1C ZINC001300794472 1069845798 /nfs/dbraw/zinc/84/57/98/1069845798.db2.gz DVGLCYRMEQZBQU-KIFXHHALSA-N 1 0 455.647 4.382 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(F)(F)F)CC1 ZINC001492595480 1069846185 /nfs/dbraw/zinc/84/61/85/1069846185.db2.gz APXITZNDVAGUJI-UHFFFAOYSA-N 1 0 497.363 4.239 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC001300794912 1069846590 /nfs/dbraw/zinc/84/65/90/1069846590.db2.gz LPYZZINAXWVREE-DBXWQHBBSA-N 1 0 493.494 4.172 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001359547253 1069852108 /nfs/dbraw/zinc/85/21/08/1069852108.db2.gz IALLRTNHBMBWPV-XIFFEERXSA-N 1 0 477.694 4.113 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001359545776 1069848689 /nfs/dbraw/zinc/84/86/89/1069848689.db2.gz FPOHVHCGJVYZQC-UHFFFAOYSA-N 1 0 484.664 4.189 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001359546363 1069849927 /nfs/dbraw/zinc/84/99/27/1069849927.db2.gz BFPZVPLFTKMWAS-UHFFFAOYSA-N 1 0 485.032 4.066 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001359546603 1069850870 /nfs/dbraw/zinc/85/08/70/1069850870.db2.gz KRENACHATFSVJZ-LJQANCHMSA-N 1 0 458.651 4.064 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccs2)CC1 ZINC001359547446 1069852910 /nfs/dbraw/zinc/85/29/10/1069852910.db2.gz PPGBQEQHTZWGAW-UHFFFAOYSA-N 1 0 472.703 4.061 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOCC(F)F)CC1 ZINC001359547515 1069853085 /nfs/dbraw/zinc/85/30/85/1069853085.db2.gz SEVYJBKVFUCZNQ-TZIWHRDSSA-N 1 0 485.664 4.427 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001359549059 1069857078 /nfs/dbraw/zinc/85/70/78/1069857078.db2.gz BDTRYALEWHWTRB-LJQANCHMSA-N 1 0 477.510 4.277 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCCOC(F)(F)F)CC1 ZINC001359548643 1069855554 /nfs/dbraw/zinc/85/55/54/1069855554.db2.gz KJLIPRTUPSCZNT-UHFFFAOYSA-N 1 0 453.553 4.300 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001359548882 1069856615 /nfs/dbraw/zinc/85/66/15/1069856615.db2.gz ULTBWLSELDBAFH-UHFFFAOYSA-N 1 0 484.664 4.158 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001359550135 1069858472 /nfs/dbraw/zinc/85/84/72/1069858472.db2.gz QHFOFXLCYRLQAP-UHFFFAOYSA-N 1 0 456.997 4.220 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001359550312 1069858565 /nfs/dbraw/zinc/85/85/65/1069858565.db2.gz XXRVBNPWHHMEOB-UHFFFAOYSA-N 1 0 488.558 4.174 20 0 JIADRO CC(C)(C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359551706 1069861100 /nfs/dbraw/zinc/86/11/00/1069861100.db2.gz SDGDEZIIJYVNSD-UHFFFAOYSA-N 1 0 470.637 4.092 20 0 JIADRO CC(C)(C)NC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001359552955 1069862723 /nfs/dbraw/zinc/86/27/23/1069862723.db2.gz INNFNQCIAUDCNJ-UHFFFAOYSA-N 1 0 495.716 4.240 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(C)(C)C ZINC001359558050 1069877049 /nfs/dbraw/zinc/87/70/49/1069877049.db2.gz WALNJVQKMYXURE-VQTJNVASSA-N 1 0 460.667 4.040 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001359561730 1069885889 /nfs/dbraw/zinc/88/58/89/1069885889.db2.gz AYFWRDLQTCIAFQ-BGYRXZFFSA-N 1 0 474.694 4.143 20 0 JIADRO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359571535 1069944018 /nfs/dbraw/zinc/94/40/18/1069944018.db2.gz LFMAAKBATKEYOU-GOSISDBHSA-N 1 0 475.037 4.188 20 0 JIADRO CC(C)(O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359599742 1070057974 /nfs/dbraw/zinc/05/79/74/1070057974.db2.gz WQKNVXVFUGDPRD-QGZVFWFLSA-N 1 0 494.453 4.320 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359620689 1070094589 /nfs/dbraw/zinc/09/45/89/1070094589.db2.gz WQBKNQQYSVIEJS-ISKFKSNPSA-N 1 0 466.674 4.341 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359621595 1070096369 /nfs/dbraw/zinc/09/63/69/1070096369.db2.gz NHZGAQZZUXHIDV-RBBKRZOGSA-N 1 0 477.657 4.144 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001359623621 1070103970 /nfs/dbraw/zinc/10/39/70/1070103970.db2.gz ZWWPXBZTJPFZFN-QPPBQGQZSA-N 1 0 480.701 4.055 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001359623623 1070103503 /nfs/dbraw/zinc/10/35/03/1070103503.db2.gz ZWWPXBZTJPFZFN-XUZZJYLKSA-N 1 0 480.701 4.055 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001359629396 1070139829 /nfs/dbraw/zinc/13/98/29/1070139829.db2.gz UUYSYRVKLPDZID-VQTJNVASSA-N 1 0 474.719 4.220 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+](C)C1CCCCC1 ZINC001359635097 1070162298 /nfs/dbraw/zinc/16/22/98/1070162298.db2.gz PJLDDCDQAXMCML-UHFFFAOYSA-N 1 0 461.054 4.071 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001492596104 1070174231 /nfs/dbraw/zinc/17/42/31/1070174231.db2.gz MLEPKGXZXGUHSK-DHIUTWEWSA-N 1 0 482.717 4.390 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001359653417 1070217119 /nfs/dbraw/zinc/21/71/19/1070217119.db2.gz IQPAYXMDOPTZBP-PWUYWRBVSA-N 1 0 496.744 4.455 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359655745 1070228198 /nfs/dbraw/zinc/22/81/98/1070228198.db2.gz BWBIJGPLRMSNMY-FIXSFTCYSA-N 1 0 488.721 4.161 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359656181 1070233091 /nfs/dbraw/zinc/23/30/91/1070233091.db2.gz LFNUYUKPMHBHSI-OAQYLSRUSA-N 1 0 466.674 4.197 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001359656209 1070234035 /nfs/dbraw/zinc/23/40/35/1070234035.db2.gz LSTHZGXPRVNAIU-HXUWFJFHSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001359656463 1070235883 /nfs/dbraw/zinc/23/58/83/1070235883.db2.gz PZCJOHAGRXWTSG-XXBNENTESA-N 1 0 497.713 4.025 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359656554 1070237062 /nfs/dbraw/zinc/23/70/62/1070237062.db2.gz RMFSGEOUWKTOBI-FQEVSTJZSA-N 1 0 458.695 4.187 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359657630 1070248762 /nfs/dbraw/zinc/24/87/62/1070248762.db2.gz KQXKQBPGVASZLW-FQEVSTJZSA-N 1 0 460.711 4.118 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359657888 1070250773 /nfs/dbraw/zinc/25/07/73/1070250773.db2.gz PPDLONAOIDTRSK-DENIHFKCSA-N 1 0 498.697 4.203 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1nccs1)[NH+]1CCCC1 ZINC001359658249 1070253324 /nfs/dbraw/zinc/25/33/24/1070253324.db2.gz XQJKYUYJLSXKGU-SFHVURJKSA-N 1 0 492.491 4.259 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001359658474 1070256658 /nfs/dbraw/zinc/25/66/58/1070256658.db2.gz CGNVYFHCIVRYMT-FIKGOQFSSA-N 1 0 482.069 4.425 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001359658913 1070262241 /nfs/dbraw/zinc/26/22/41/1070262241.db2.gz LMKZGKAZSRMRNV-OPYAIIAOSA-N 1 0 464.079 4.286 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001359659739 1070268111 /nfs/dbraw/zinc/26/81/11/1070268111.db2.gz CUBQQEKNGSHFAL-NQIIRXRSSA-N 1 0 482.570 4.277 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H]1C)[NH+]1CCCC1 ZINC001359659457 1070266087 /nfs/dbraw/zinc/26/60/87/1070266087.db2.gz WUPFWXLDGUAFJE-UZLBHIALSA-N 1 0 480.426 4.192 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001359659598 1070266679 /nfs/dbraw/zinc/26/66/79/1070266679.db2.gz ZHTDNARYDUMODT-MOPGFXCFSA-N 1 0 471.955 4.486 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCC1 ZINC001359660696 1070272770 /nfs/dbraw/zinc/27/27/70/1070272770.db2.gz VMPFNPSFYUMCQK-NRFANRHFSA-N 1 0 484.446 4.254 20 0 JIADRO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001359661432 1070277647 /nfs/dbraw/zinc/27/76/47/1070277647.db2.gz IVNBFTIJPKLSDP-FKBYEOEOSA-N 1 0 490.693 4.134 20 0 JIADRO CC(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001359662271 1070282733 /nfs/dbraw/zinc/28/27/33/1070282733.db2.gz WMIHPNGITHWANB-FGZHOGPDSA-N 1 0 489.064 4.368 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001359662681 1070285287 /nfs/dbraw/zinc/28/52/87/1070285287.db2.gz DXVDWXQGZMPEBE-CVDCTZTESA-N 1 0 461.601 4.273 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001359665178 1070294445 /nfs/dbraw/zinc/29/44/45/1070294445.db2.gz UPQWBYOORHWGPD-NRSPTQNISA-N 1 0 488.702 4.153 20 0 JIADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001359666286 1070301337 /nfs/dbraw/zinc/30/13/37/1070301337.db2.gz QSRBFOWGCAETOE-DYXWJJEUSA-N 1 0 461.651 4.447 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666685 1070303362 /nfs/dbraw/zinc/30/33/62/1070303362.db2.gz YZOCCFSLWQPDHU-QHCPKHFHSA-N 1 0 472.722 4.361 20 0 JIADRO CC(C)c1ccnc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001359668317 1070306037 /nfs/dbraw/zinc/30/60/37/1070306037.db2.gz AYSIMEKVLKEGHQ-OAQYLSRUSA-N 1 0 490.700 4.433 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc(Cc4ccncc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001359669674 1070310497 /nfs/dbraw/zinc/31/04/97/1070310497.db2.gz SEKZOQBUOOKVAS-AZUAARDMSA-N 1 0 453.660 4.178 20 0 JIADRO CC(C)c1csc([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001359669507 1070310574 /nfs/dbraw/zinc/31/05/74/1070310574.db2.gz NOPGPPFKBZOOJY-HXUWFJFHSA-N 1 0 487.718 4.208 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC001359673604 1070322931 /nfs/dbraw/zinc/32/29/31/1070322931.db2.gz HRTIOQLEVFKSSU-OAQYLSRUSA-N 1 0 470.625 4.410 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CC[N@@H+](C)C(C)C)cn1 ZINC001359673916 1070324935 /nfs/dbraw/zinc/32/49/35/1070324935.db2.gz UMQFSISDSGGKIA-UHFFFAOYSA-N 1 0 460.630 4.327 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359676543 1070331544 /nfs/dbraw/zinc/33/15/44/1070331544.db2.gz KZAYGQBKQQZJCV-GHTZIAJQSA-N 1 0 466.586 4.451 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359677621 1070331908 /nfs/dbraw/zinc/33/19/08/1070331908.db2.gz JPKSQHLNRTXDJT-JOCHJYFZSA-N 1 0 470.662 4.369 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCCOC1CCOCC1 ZINC001359678956 1070333916 /nfs/dbraw/zinc/33/39/16/1070333916.db2.gz UMKKSVJGDBYICL-VWNXMTODSA-N 1 0 469.674 4.477 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001492596577 1070338327 /nfs/dbraw/zinc/33/83/27/1070338327.db2.gz SPPBRVUQTSXMIG-UPVQGACJSA-N 1 0 454.663 4.131 20 0 JIADRO CC(C)c1nnc(N(C)CCCOc2ccccc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359685256 1070340782 /nfs/dbraw/zinc/34/07/82/1070340782.db2.gz KWXFGCNAVGXGSM-UHFFFAOYSA-N 1 0 455.647 4.342 20 0 JIADRO CC(C)c1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CCC[NH+]1CCCCC1 ZINC001359687266 1070344030 /nfs/dbraw/zinc/34/40/30/1070344030.db2.gz HXJRIQLINNPDRW-UHFFFAOYSA-N 1 0 482.442 4.178 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359691227 1070347678 /nfs/dbraw/zinc/34/76/78/1070347678.db2.gz GHBSKSMHHCVEMR-CVDCTZTESA-N 1 0 472.653 4.221 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359699516 1070361915 /nfs/dbraw/zinc/36/19/15/1070361915.db2.gz ITKZWNMAUWKWCS-OAQYLSRUSA-N 1 0 462.683 4.406 20 0 JIADRO CC(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359701272 1070366237 /nfs/dbraw/zinc/36/62/37/1070366237.db2.gz NXFCNRXGSJEDEU-SFHVURJKSA-N 1 0 462.042 4.013 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359705242 1070371100 /nfs/dbraw/zinc/37/11/00/1070371100.db2.gz AEDXXTWTHAVOIU-REWPJTCUSA-N 1 0 466.674 4.274 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359708840 1070377921 /nfs/dbraw/zinc/37/79/21/1070377921.db2.gz XGFQRZJEWWVDJO-LJQANCHMSA-N 1 0 474.675 4.015 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315458947 1064269695 /nfs/dbraw/zinc/26/96/95/1064269695.db2.gz IALFORRZTIWDCC-ZEQRLZLVSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315474733 1064321290 /nfs/dbraw/zinc/32/12/90/1064321290.db2.gz RNDCNKDORACNBZ-PMACEKPBSA-N 1 0 463.630 4.137 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)cc1OC ZINC001315474912 1064321898 /nfs/dbraw/zinc/32/18/98/1064321898.db2.gz KRWNONBHODRYLT-JOCHJYFZSA-N 1 0 457.619 4.048 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001315478913 1064333978 /nfs/dbraw/zinc/33/39/78/1064333978.db2.gz XEBDBZASQWKDOA-KDURUIRLSA-N 1 0 471.646 4.087 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC001315480018 1064338432 /nfs/dbraw/zinc/33/84/32/1064338432.db2.gz OKEFDQQIVYSWMG-DCFHFQCYSA-N 1 0 478.641 4.125 20 0 JIADRO COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1Cl ZINC001315506892 1064425903 /nfs/dbraw/zinc/42/59/03/1064425903.db2.gz LFESRWVKELMETB-OAQYLSRUSA-N 1 0 462.038 4.398 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315510966 1064442835 /nfs/dbraw/zinc/44/28/35/1064442835.db2.gz QADOMCJEPCUSRO-MOPGFXCFSA-N 1 0 462.038 4.345 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C[NH+](C)C ZINC001315511073 1064445463 /nfs/dbraw/zinc/44/54/63/1064445463.db2.gz RGUANJUVOAWRFF-UHFFFAOYSA-N 1 0 496.059 4.403 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315523119 1064493447 /nfs/dbraw/zinc/49/34/47/1064493447.db2.gz IMYDBGYFGABPEQ-UHFFFAOYSA-N 1 0 453.587 4.360 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001315528728 1064508605 /nfs/dbraw/zinc/50/86/05/1064508605.db2.gz MHCVFQWSXTYABW-VXKWHMMOSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNc2ccccn2)cc1 ZINC001315530897 1064514831 /nfs/dbraw/zinc/51/48/31/1064514831.db2.gz OHIYLFGGAYHJKF-UHFFFAOYSA-N 1 0 493.656 4.074 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001315531839 1064517679 /nfs/dbraw/zinc/51/76/79/1064517679.db2.gz QWQAQXULIGVDCJ-JTHBVZDNSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001315532709 1064520354 /nfs/dbraw/zinc/52/03/54/1064520354.db2.gz KAJBHKYDNBCSDX-VABKMULXSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001315533276 1064521039 /nfs/dbraw/zinc/52/10/39/1064521039.db2.gz MHTFXOMZAXIGSX-UHFFFAOYSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2nccs2)cc1 ZINC001315538364 1064532643 /nfs/dbraw/zinc/53/26/43/1064532643.db2.gz SIPVYTBCTDSKMC-UHFFFAOYSA-N 1 0 484.670 4.123 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001315540198 1064535869 /nfs/dbraw/zinc/53/58/69/1064535869.db2.gz BKPCLDFOYFLDRE-IDISGSTGSA-N 1 0 480.657 4.318 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001315545106 1064548483 /nfs/dbraw/zinc/54/84/83/1064548483.db2.gz LDXRYEXVCGVTRU-HSZRJFAPSA-N 1 0 482.717 4.490 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)[NH+](C)C)c1 ZINC001315546118 1064552759 /nfs/dbraw/zinc/55/27/59/1064552759.db2.gz FTVJOEFJHUHAMO-UXPWSPDFSA-N 1 0 483.579 4.334 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)[NH+](C)C)c1 ZINC001315546249 1064553046 /nfs/dbraw/zinc/55/30/46/1064553046.db2.gz GRTPSZAZWBTPLP-KNQAVFIVSA-N 1 0 470.568 4.442 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315547202 1064556434 /nfs/dbraw/zinc/55/64/34/1064556434.db2.gz NZFRQDFZJORQOH-LEWJYISDSA-N 1 0 463.573 4.457 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc(-c3ccc(Cl)nc3)n1CC(C)(C)C[NH+](C)C)CC2 ZINC001315547296 1064556465 /nfs/dbraw/zinc/55/64/65/1064556465.db2.gz WAFIMIHENOBTSQ-UHFFFAOYSA-N 1 0 455.006 4.153 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315547429 1064556727 /nfs/dbraw/zinc/55/67/27/1064556727.db2.gz ADELTPSYJOEOHO-HSZRJFAPSA-N 1 0 462.623 4.273 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2nccs2)[NH+](C)C)c1 ZINC001315547684 1064558051 /nfs/dbraw/zinc/55/80/51/1064558051.db2.gz UDZBEGNYECNRNE-JOCHJYFZSA-N 1 0 477.638 4.095 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCN([C@H](C)c4nccs4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548418 1064560624 /nfs/dbraw/zinc/56/06/24/1064560624.db2.gz IMABXUXVBVCPQG-KNQAVFIVSA-N 1 0 497.713 4.227 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001315549420 1064563691 /nfs/dbraw/zinc/56/36/91/1064563691.db2.gz OUPKPCDSBGQJDW-QHCPKHFHSA-N 1 0 473.046 4.076 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3C[C@H](C)OC(C)(C)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549484 1064564503 /nfs/dbraw/zinc/56/45/03/1064564503.db2.gz QQXKIVDKEPDSAN-SIKLNZKXSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001315549848 1064565579 /nfs/dbraw/zinc/56/55/79/1064565579.db2.gz SLVAHEZBUODBSU-JWQCQUIFSA-N 1 0 492.668 4.359 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315552463 1064569588 /nfs/dbraw/zinc/56/95/88/1064569588.db2.gz QMXMSSYNRPMOKT-UHFFFAOYSA-N 1 0 460.026 4.096 20 0 JIADRO COc1cccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001315553939 1064571301 /nfs/dbraw/zinc/57/13/01/1064571301.db2.gz MZPJHJNZGPSQJQ-HSZRJFAPSA-N 1 0 467.658 4.373 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(F)(F)F)c1 ZINC001315559565 1064584264 /nfs/dbraw/zinc/58/42/64/1064584264.db2.gz CDLSEMDSVYCZAM-GOSISDBHSA-N 1 0 451.537 4.464 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCOC(C)C)c1 ZINC001315559917 1064585068 /nfs/dbraw/zinc/58/50/68/1064585068.db2.gz FVCYOFYMYNNDFP-JOCHJYFZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCOC(C)C)c1 ZINC001315559918 1064585252 /nfs/dbraw/zinc/58/52/52/1064585252.db2.gz FVCYOFYMYNNDFP-QFIPXVFZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2csc(C(C)(C)C)n2)c1 ZINC001315562237 1064588659 /nfs/dbraw/zinc/58/86/59/1064588659.db2.gz CBKUCNCSDHKXFP-UHFFFAOYSA-N 1 0 468.671 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC[C@@H](F)C2)c1 ZINC001315565926 1064597231 /nfs/dbraw/zinc/59/72/31/1064597231.db2.gz FPKBKVJFHVPNEC-AZUAARDMSA-N 1 0 499.553 4.183 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315569586 1064608998 /nfs/dbraw/zinc/60/89/98/1064608998.db2.gz JCQURRAVQZOLSJ-LJQANCHMSA-N 1 0 481.563 4.278 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001315570198 1064611202 /nfs/dbraw/zinc/61/12/02/1064611202.db2.gz HLZRPSZGRWCSIJ-ZEQRLZLVSA-N 1 0 496.700 4.160 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(CC(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001315570927 1064614464 /nfs/dbraw/zinc/61/44/64/1064614464.db2.gz MBRNEVNVQTVLGP-DNQXCXABSA-N 1 0 455.647 4.184 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315573318 1064623283 /nfs/dbraw/zinc/62/32/83/1064623283.db2.gz ZECXOVAXCREIMT-NZQKXSOJSA-N 1 0 482.673 4.277 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)C(C)C)c1 ZINC001315573177 1064623678 /nfs/dbraw/zinc/62/36/78/1064623678.db2.gz XDIVGOQAPXNPIM-DVECYGJZSA-N 1 0 465.646 4.076 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001315576505 1064633704 /nfs/dbraw/zinc/63/37/04/1064633704.db2.gz ZZNCEWVFVXIWLU-PZJWPPBQSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc(CN(C)c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001315577116 1064635505 /nfs/dbraw/zinc/63/55/05/1064635505.db2.gz YXXFZQBOMOXLGN-UHFFFAOYSA-N 1 0 465.646 4.082 20 0 JIADRO COc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315576999 1064635565 /nfs/dbraw/zinc/63/55/65/1064635565.db2.gz DEWBFIVPEPLTNN-OAQYLSRUSA-N 1 0 496.681 4.035 20 0 JIADRO COc1cccc(CN(C[C@H]2CCCO2)c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)c1 ZINC001315577916 1064638483 /nfs/dbraw/zinc/63/84/83/1064638483.db2.gz QEAUQRVSZSAYOX-HSZRJFAPSA-N 1 0 487.714 4.110 20 0 JIADRO COc1cccc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001315578503 1064639734 /nfs/dbraw/zinc/63/97/34/1064639734.db2.gz JZNVWIUWCCFBIN-UHFFFAOYSA-N 1 0 476.444 4.356 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2nccs2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315593873 1064689961 /nfs/dbraw/zinc/68/99/61/1064689961.db2.gz NIYKKQYGEYYYQV-QGZVFWFLSA-N 1 0 454.625 4.411 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001315598575 1064702489 /nfs/dbraw/zinc/70/24/89/1064702489.db2.gz ATGBHNXGZUGWBU-UHFFFAOYSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001315600212 1064706949 /nfs/dbraw/zinc/70/69/49/1064706949.db2.gz OPVHTPMOTZSGRN-UHFFFAOYSA-N 1 0 481.645 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315601361 1064710244 /nfs/dbraw/zinc/71/02/44/1064710244.db2.gz WZBCMBDOONLQLG-ZRCGQRJVSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315603161 1064714334 /nfs/dbraw/zinc/71/43/34/1064714334.db2.gz ATIQAAPBQLELCE-QFQXNSOFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315606015 1064721126 /nfs/dbraw/zinc/72/11/26/1064721126.db2.gz AHWAUKLWBZJYMX-WOJBJXKFSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315606695 1064723449 /nfs/dbraw/zinc/72/34/49/1064723449.db2.gz AJIGXQNYGNGFOJ-PWRODBHTSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001315607110 1064724462 /nfs/dbraw/zinc/72/44/62/1064724462.db2.gz NNVBZEMXKVGZMD-HXUWFJFHSA-N 1 0 498.672 4.131 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315607757 1064725741 /nfs/dbraw/zinc/72/57/41/1064725741.db2.gz DSLJGFPQVLSWHE-DENIHFKCSA-N 1 0 484.670 4.273 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315609203 1064728412 /nfs/dbraw/zinc/72/84/12/1064728412.db2.gz KOWQCUILXPOWGE-PXNSSMCTSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315609770 1064729018 /nfs/dbraw/zinc/72/90/18/1064729018.db2.gz QXQWUXHRPGWKLV-JOCHJYFZSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001315612498 1064734308 /nfs/dbraw/zinc/73/43/08/1064734308.db2.gz IULMKUUDPCGMBC-SFTDATJTSA-N 1 0 450.631 4.262 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315614653 1064739584 /nfs/dbraw/zinc/73/95/84/1064739584.db2.gz YMFWHHUAKMXFGC-RTWAWAEBSA-N 1 0 465.646 4.019 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315616385 1064744077 /nfs/dbraw/zinc/74/40/77/1064744077.db2.gz MBGYPELIZNGPIC-RJGXRXQPSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315616844 1064745034 /nfs/dbraw/zinc/74/50/34/1064745034.db2.gz VFXLTBNCUWDKRR-JTHBVZDNSA-N 1 0 469.674 4.128 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315618658 1064750013 /nfs/dbraw/zinc/75/00/13/1064750013.db2.gz YHQPQRKJGIYZNC-YZUZCNPQSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315620117 1064753771 /nfs/dbraw/zinc/75/37/71/1064753771.db2.gz GLYHYGXHCVLEJA-VXKWHMMOSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315620889 1064754574 /nfs/dbraw/zinc/75/45/74/1064754574.db2.gz QEHPWOZJJBBVME-RTWAWAEBSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1cccs1 ZINC001315624531 1064764077 /nfs/dbraw/zinc/76/40/77/1064764077.db2.gz JRLRAWDGNZUJEG-UHFFFAOYSA-N 1 0 453.656 4.492 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001315624678 1064764941 /nfs/dbraw/zinc/76/49/41/1064764941.db2.gz LEBVLSDNFPCDKG-FQEVSTJZSA-N 1 0 483.579 4.156 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCSC(F)(F)F ZINC001315625412 1064767204 /nfs/dbraw/zinc/76/72/04/1064767204.db2.gz SRARKPQHYCSUQF-UHFFFAOYSA-N 1 0 457.566 4.051 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001315627988 1064774028 /nfs/dbraw/zinc/77/40/28/1064774028.db2.gz REXMNCOCUPQBBT-RUZDIDTESA-N 1 0 455.647 4.147 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCSC(C)C ZINC001315628898 1064776689 /nfs/dbraw/zinc/77/66/89/1064776689.db2.gz ABIPWKIBJZZZDQ-FQEVSTJZSA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001315630232 1064779636 /nfs/dbraw/zinc/77/96/36/1064779636.db2.gz WQXQDMVQVRLKDG-HSZRJFAPSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315631321 1064782496 /nfs/dbraw/zinc/78/24/96/1064782496.db2.gz NKAXFUAMDJXDSC-REWPJTCUSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315632308 1064784824 /nfs/dbraw/zinc/78/48/24/1064784824.db2.gz VIOXHEXMFOHOBH-IEBWSBKVSA-N 1 0 457.669 4.184 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315633689 1064788220 /nfs/dbraw/zinc/78/82/20/1064788220.db2.gz YJQWIDYYNIHDQX-NJYVYQBISA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cccc(C)n2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315635183 1064791055 /nfs/dbraw/zinc/79/10/55/1064791055.db2.gz QNDHUCQEXKOZDM-UHFFFAOYSA-N 1 0 480.682 4.163 20 0 JIADRO COc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315639379 1064799641 /nfs/dbraw/zinc/79/96/41/1064799641.db2.gz UNIUTDHTLFDZLS-FQEVSTJZSA-N 1 0 496.681 4.035 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315648979 1064825607 /nfs/dbraw/zinc/82/56/07/1064825607.db2.gz WVIKRDXSALIHLZ-HXUWFJFHSA-N 1 0 464.614 4.045 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315655633 1064844048 /nfs/dbraw/zinc/84/40/48/1064844048.db2.gz MUSAKAJXIUZZJH-HTAPYJJXSA-N 1 0 499.603 4.082 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315655636 1064844247 /nfs/dbraw/zinc/84/42/47/1064844247.db2.gz MUSAKAJXIUZZJH-VGSWGCGISA-N 1 0 499.603 4.082 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001315655637 1064844921 /nfs/dbraw/zinc/84/49/21/1064844921.db2.gz NAZCSINMKBFCFO-PMACEKPBSA-N 1 0 477.600 4.468 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315658287 1064851810 /nfs/dbraw/zinc/85/18/10/1064851810.db2.gz MEQCYWKGDDGTDX-IEBWSBKVSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C2CCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315660216 1064856924 /nfs/dbraw/zinc/85/69/24/1064856924.db2.gz BHOJAAYLADUEMR-RTBURBONSA-N 1 0 459.660 4.067 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+](C)C(C)C ZINC001315660294 1064857392 /nfs/dbraw/zinc/85/73/92/1064857392.db2.gz DHXVFAOHVFNFGM-UHFFFAOYSA-N 1 0 489.686 4.041 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315661194 1064859702 /nfs/dbraw/zinc/85/97/02/1064859702.db2.gz DRBOZAZWJMEPMC-PMACEKPBSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@](C)(O)C(C)C ZINC001315665753 1064879373 /nfs/dbraw/zinc/87/93/73/1064879373.db2.gz RXWLIPDUIAMHGL-RUZDIDTESA-N 1 0 475.703 4.297 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCCCC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315665828 1064879759 /nfs/dbraw/zinc/87/97/59/1064879759.db2.gz UJMLVGHCRSRESO-OAQYLSRUSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001315665982 1064880751 /nfs/dbraw/zinc/88/07/51/1064880751.db2.gz VEBNZUPWVODVMQ-QZTJIDSGSA-N 1 0 461.701 4.394 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001315666202 1064881826 /nfs/dbraw/zinc/88/18/26/1064881826.db2.gz XPOLVRCHKDZLFR-RTWAWAEBSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001315668177 1064890887 /nfs/dbraw/zinc/89/08/87/1064890887.db2.gz UTJUPYZDODDMTA-FQEVSTJZSA-N 1 0 473.687 4.052 20 0 JIADRO COc1ccccc1SCc1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315669349 1064896048 /nfs/dbraw/zinc/89/60/48/1064896048.db2.gz HXQHYMXCFKBAHL-GOSISDBHSA-N 1 0 455.632 4.177 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315669389 1064896188 /nfs/dbraw/zinc/89/61/88/1064896188.db2.gz JKALRUWANPJNDQ-LVCYWYKZSA-N 1 0 461.651 4.494 20 0 JIADRO COc1ncccc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315676426 1064912561 /nfs/dbraw/zinc/91/25/61/1064912561.db2.gz WAAKXVBNXXDMEZ-UHFFFAOYSA-N 1 0 491.459 4.188 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315690512 1064945990 /nfs/dbraw/zinc/94/59/90/1064945990.db2.gz KPADEEZLGYUMOI-HYBUGGRVSA-N 1 0 482.673 4.275 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315691398 1064947791 /nfs/dbraw/zinc/94/77/91/1064947791.db2.gz IWDQBKYJXCGBAC-GGAORHGYSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315699312 1064963817 /nfs/dbraw/zinc/96/38/17/1064963817.db2.gz ZJCJFWAGMCJHBC-UPVQGACJSA-N 1 0 457.638 4.380 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001315703724 1064969102 /nfs/dbraw/zinc/96/91/02/1064969102.db2.gz KWTRGLDPFOXYBN-UHFFFAOYSA-N 1 0 496.700 4.221 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001315704343 1064970694 /nfs/dbraw/zinc/97/06/94/1064970694.db2.gz OEJZXHVZJSNAMQ-UHFFFAOYSA-N 1 0 466.424 4.037 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC001315705125 1064973544 /nfs/dbraw/zinc/97/35/44/1064973544.db2.gz SCSOGFLXTKDXFA-XMMPIXPASA-N 1 0 483.701 4.204 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001315704997 1064973713 /nfs/dbraw/zinc/97/37/13/1064973713.db2.gz MQKZPPROVDRHBR-QHCPKHFHSA-N 1 0 487.664 4.149 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001315705770 1064975614 /nfs/dbraw/zinc/97/56/14/1064975614.db2.gz SZNQYEVNZDFTLX-LJQANCHMSA-N 1 0 489.627 4.304 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001315706360 1064976325 /nfs/dbraw/zinc/97/63/25/1064976325.db2.gz VPCRTLGBVDRVBP-QGZVFWFLSA-N 1 0 485.583 4.100 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001315705804 1064976353 /nfs/dbraw/zinc/97/63/53/1064976353.db2.gz ULCGWCRCVANTSO-UZLBHIALSA-N 1 0 450.002 4.282 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001315706795 1064979258 /nfs/dbraw/zinc/97/92/58/1064979258.db2.gz XZDDQPUWMRNXBM-ROUUACIJSA-N 1 0 493.668 4.367 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315707105 1064980792 /nfs/dbraw/zinc/98/07/92/1064980792.db2.gz GQGKYHIGNLHOPS-WOJBJXKFSA-N 1 0 459.610 4.122 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccoc2)CC1 ZINC001315708549 1064983925 /nfs/dbraw/zinc/98/39/25/1064983925.db2.gz FUCDLJDENDISDJ-FGZHOGPDSA-N 1 0 473.662 4.316 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315708955 1064984673 /nfs/dbraw/zinc/98/46/73/1064984673.db2.gz YWFWFDIJDVQAGN-GXRSIYKFSA-N 1 0 461.695 4.322 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+](C)C(C)C)CC[C@H]1C ZINC001315711229 1064988030 /nfs/dbraw/zinc/98/80/30/1064988030.db2.gz AGHXRQYYMHLDKR-DBXWQHBBSA-N 1 0 450.027 4.273 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001315715157 1065003578 /nfs/dbraw/zinc/00/35/78/1065003578.db2.gz QZDPIAPELSWLTM-UAHYIAQRSA-N 1 0 487.714 4.333 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001315715896 1065005081 /nfs/dbraw/zinc/00/50/81/1065005081.db2.gz MBYUFDHICUYCHB-HRAATJIYSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001315716755 1065007524 /nfs/dbraw/zinc/00/75/24/1065007524.db2.gz USBUBKLFGACJLL-IHFIDZABSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001315716757 1065007561 /nfs/dbraw/zinc/00/75/61/1065007561.db2.gz USBUBKLFGACJLL-ISHFTEKXSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@@H]1C ZINC001315717902 1065010452 /nfs/dbraw/zinc/01/04/52/1065010452.db2.gz HJVSBDBNXWXKIU-RDPSFJRHSA-N 1 0 454.663 4.268 20 0 JIADRO CO[C@H]1CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)[NH+](C)C)CC1(C)C ZINC001315733527 1065033187 /nfs/dbraw/zinc/03/31/87/1065033187.db2.gz SPXJSGHYRMSBHI-NQIIRXRSSA-N 1 0 464.054 4.063 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001315733983 1065034017 /nfs/dbraw/zinc/03/40/17/1065034017.db2.gz ICHMQIXACPMFLV-LADGPHEKSA-N 1 0 455.647 4.067 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1(C)C ZINC001315735407 1065036716 /nfs/dbraw/zinc/03/67/16/1065036716.db2.gz YZFBYSWKUPLWIO-CQOQZXRMSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1(C)C ZINC001315736566 1065038938 /nfs/dbraw/zinc/03/89/38/1065038938.db2.gz PMKLMYAMNFESBG-FYYLOGMGSA-N 1 0 455.647 4.291 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001315738265 1065043084 /nfs/dbraw/zinc/04/30/84/1065043084.db2.gz XZRXNNCESDPCMT-KELBGUDLSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001315738244 1065043113 /nfs/dbraw/zinc/04/31/13/1065043113.db2.gz XSCVGVDKZTTZQK-WOIUINJBSA-N 1 0 476.065 4.492 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1(C)C ZINC001315741147 1065049018 /nfs/dbraw/zinc/04/90/18/1065049018.db2.gz HWGATGAPMDTMEE-XRXFAXGQSA-N 1 0 475.703 4.422 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001315763463 1065078929 /nfs/dbraw/zinc/07/89/29/1065078929.db2.gz FQVZFNYLBJKOSQ-UHFFFAOYSA-N 1 0 478.479 4.467 20 0 JIADRO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001315764401 1065080811 /nfs/dbraw/zinc/08/08/11/1065080811.db2.gz VNFIQDLYHZZECX-UHFFFAOYSA-N 1 0 489.108 4.266 20 0 JIADRO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001315767076 1065085877 /nfs/dbraw/zinc/08/58/77/1065085877.db2.gz MDVZEXHUBNQZNJ-XMMPIXPASA-N 1 0 462.642 4.037 20 0 JIADRO COCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001315770348 1065090592 /nfs/dbraw/zinc/09/05/92/1065090592.db2.gz QGSQVWGYKPUDCZ-JOCHJYFZSA-N 1 0 453.656 4.314 20 0 JIADRO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001315770797 1065091233 /nfs/dbraw/zinc/09/12/33/1065091233.db2.gz HZDNEBKMWBXXFN-HXUWFJFHSA-N 1 0 462.038 4.248 20 0 JIADRO COC[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001315787204 1065124833 /nfs/dbraw/zinc/12/48/33/1065124833.db2.gz MQDMJRFQMMNQLY-AOIWGVFYSA-N 1 0 450.052 4.179 20 0 JIADRO COC[C@H](C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001315792285 1065133997 /nfs/dbraw/zinc/13/39/97/1065133997.db2.gz SVDUQNUSNQIWLO-UZKOGDIHSA-N 1 0 476.065 4.207 20 0 JIADRO COC[C@H](F)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001315811241 1065158044 /nfs/dbraw/zinc/15/80/44/1065158044.db2.gz AVRQWWUGPFZPDI-LJQANCHMSA-N 1 0 494.453 4.455 20 0 JIADRO COCC1(C)CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC[N@H+](C)C(C)C)CC1 ZINC001315829358 1065189338 /nfs/dbraw/zinc/18/93/38/1065189338.db2.gz XFTUFEQZYIABRH-UHFFFAOYSA-N 1 0 450.631 4.395 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001315832809 1065200324 /nfs/dbraw/zinc/20/03/24/1065200324.db2.gz KVGMKDLTNWGTOK-QFIPXVFZSA-N 1 0 462.642 4.037 20 0 JIADRO COCC1(C)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001315832944 1065200876 /nfs/dbraw/zinc/20/08/76/1065200876.db2.gz MWGSVYUIAFPEMD-QFIPXVFZSA-N 1 0 457.638 4.381 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001315835027 1065208798 /nfs/dbraw/zinc/20/87/98/1065208798.db2.gz VCSQEBALWYKURG-RUZDIDTESA-N 1 0 499.700 4.084 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001315835028 1065209376 /nfs/dbraw/zinc/20/93/76/1065209376.db2.gz VCSQEBALWYKURG-VWLOTQADSA-N 1 0 499.700 4.084 20 0 JIADRO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCCC1 ZINC001315841374 1065224022 /nfs/dbraw/zinc/22/40/22/1065224022.db2.gz ULJUCPHYBDPVKH-DHIUTWEWSA-N 1 0 488.721 4.104 20 0 JIADRO COCc1ccc([C@@H]2CCCN2c2nnc(-c3cccnc3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001315856462 1065260689 /nfs/dbraw/zinc/26/06/89/1065260689.db2.gz ICNYYEIUJJAQDH-UNMCSNQZSA-N 1 0 452.603 4.397 20 0 JIADRO COCc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315857127 1065261899 /nfs/dbraw/zinc/26/18/99/1065261899.db2.gz HEBVRTLAZLOVKZ-UHFFFAOYSA-N 1 0 462.642 4.017 20 0 JIADRO COCc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)o1 ZINC001315859807 1065267448 /nfs/dbraw/zinc/26/74/48/1065267448.db2.gz XXTKDJZMZPSXPA-KBXCAEBGSA-N 1 0 477.407 4.067 20 0 JIADRO COCC1=CCN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001315866156 1065282980 /nfs/dbraw/zinc/28/29/80/1065282980.db2.gz YTRMNEMMEBSRDO-UHFFFAOYSA-N 1 0 468.465 4.282 20 0 JIADRO COCC1=CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315866636 1065283954 /nfs/dbraw/zinc/28/39/54/1065283954.db2.gz VYFDBFCAEGQQJB-HSZRJFAPSA-N 1 0 451.659 4.357 20 0 JIADRO COCC1=CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315869639 1065291783 /nfs/dbraw/zinc/29/17/83/1065291783.db2.gz QQUXDOZOYPRDEB-GMAHTHKFSA-N 1 0 467.658 4.377 20 0 JIADRO COCC1=CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001315870027 1065293795 /nfs/dbraw/zinc/29/37/95/1065293795.db2.gz YOGBRSDOJZHTRP-UHFFFAOYSA-N 1 0 453.631 4.131 20 0 JIADRO COCc1nc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC001315871285 1065296814 /nfs/dbraw/zinc/29/68/14/1065296814.db2.gz GVDDXKKVJZCJSY-FQEVSTJZSA-N 1 0 460.692 4.076 20 0 JIADRO 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COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCCCCC2)C1 ZINC001315884258 1065328443 /nfs/dbraw/zinc/32/84/43/1065328443.db2.gz XBVXPYIIFMYLCX-NRFANRHFSA-N 1 0 471.646 4.091 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC=C(C)C)C1 ZINC001315884308 1065328551 /nfs/dbraw/zinc/32/85/51/1065328551.db2.gz XJMBUGFESYEHEY-RUZDIDTESA-N 1 0 480.701 4.252 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315885416 1065332212 /nfs/dbraw/zinc/33/22/12/1065332212.db2.gz AVLVPFXJTYHJRP-PKTZIBPZSA-N 1 0 455.647 4.150 20 0 JIADRO COC[C@H]1CCCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315887936 1065340042 /nfs/dbraw/zinc/34/00/42/1065340042.db2.gz NTOYQUHXTPHJDE-RTWAWAEBSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001315892207 1065352500 /nfs/dbraw/zinc/35/25/00/1065352500.db2.gz VZWWZAOUCSRHSF-PZUNEJSGSA-N 1 0 499.700 4.399 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001315892031 1065352518 /nfs/dbraw/zinc/35/25/18/1065352518.db2.gz VAUIZZMJAHTTTF-XZOQPEGZSA-N 1 0 485.673 4.009 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001315892202 1065352728 /nfs/dbraw/zinc/35/27/28/1065352728.db2.gz VZWWZAOUCSRHSF-ICDZXHCJSA-N 1 0 499.700 4.399 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315892273 1065353222 /nfs/dbraw/zinc/35/32/22/1065353222.db2.gz UBNLJJCCOTYSKX-WIYYLYMNSA-N 1 0 461.054 4.367 20 0 JIADRO COC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315894218 1065358706 /nfs/dbraw/zinc/35/87/06/1065358706.db2.gz KGURMUBZCOICNN-BDTNDASRSA-N 1 0 457.638 4.239 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001315896422 1065363151 /nfs/dbraw/zinc/36/31/51/1065363151.db2.gz SJYUTHKKBHRYQR-UZINWLIJSA-N 1 0 457.638 4.381 20 0 JIADRO COC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001315900801 1065373135 /nfs/dbraw/zinc/37/31/35/1065373135.db2.gz DVLGSFKPWXKFFV-QQKQFIJSSA-N 1 0 499.700 4.048 20 0 JIADRO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315902510 1065379218 /nfs/dbraw/zinc/37/92/18/1065379218.db2.gz KMAIJXWCAJRETD-XMMPIXPASA-N 1 0 496.700 4.378 20 0 JIADRO COC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001315903250 1065381883 /nfs/dbraw/zinc/38/18/83/1065381883.db2.gz VWTGQOWGLODCLK-YADHBBJMSA-N 1 0 457.688 4.474 20 0 JIADRO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001315905195 1065387464 /nfs/dbraw/zinc/38/74/64/1065387464.db2.gz LBXRILVZHFDGMZ-QHAWAJNXSA-N 1 0 459.610 4.152 20 0 JIADRO COC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315909728 1065401667 /nfs/dbraw/zinc/40/16/67/1065401667.db2.gz RFOOKKCEBYANDG-IPMKNSEASA-N 1 0 462.038 4.200 20 0 JIADRO COCC1CCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001315910181 1065403451 /nfs/dbraw/zinc/40/34/51/1065403451.db2.gz FXJNWYSDIIGQCR-UHFFFAOYSA-N 1 0 476.463 4.445 20 0 JIADRO COCC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+](C)C(C)C)CC1 ZINC001315917336 1065417162 /nfs/dbraw/zinc/41/71/62/1065417162.db2.gz GUFLLAMCYIUOGK-UHFFFAOYSA-N 1 0 470.445 4.367 20 0 JIADRO COCC1CCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001315920993 1065426839 /nfs/dbraw/zinc/42/68/39/1065426839.db2.gz BQNASDOKXTVWEM-UHFFFAOYSA-N 1 0 455.647 4.150 20 0 JIADRO COC[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001315922254 1065431346 /nfs/dbraw/zinc/43/13/46/1065431346.db2.gz UYLWBQCWQOTPFL-IBGZPJMESA-N 1 0 464.079 4.428 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H](C)O1 ZINC001315936819 1065467300 /nfs/dbraw/zinc/46/73/00/1065467300.db2.gz JKAMKLINMKLATB-GIWBLDEGSA-N 1 0 478.641 4.018 20 0 JIADRO 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COCCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](C)C(C)C)C1 ZINC001316238426 1065974354 /nfs/dbraw/zinc/97/43/54/1065974354.db2.gz NKDXXHVUZXIVOI-KRWDZBQOSA-N 1 0 478.062 4.395 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316239724 1065976823 /nfs/dbraw/zinc/97/68/23/1065976823.db2.gz QSXCNBSILREWKV-UKILVPOCSA-N 1 0 499.700 4.226 20 0 JIADRO COCCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001316240134 1065978462 /nfs/dbraw/zinc/97/84/62/1065978462.db2.gz WLBWEQMBCOQITI-PMACEKPBSA-N 1 0 476.046 4.205 20 0 JIADRO COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316244958 1065986416 /nfs/dbraw/zinc/98/64/16/1065986416.db2.gz KLMVVXHLNYXYGG-NFBKMPQASA-N 1 0 476.065 4.351 20 0 JIADRO COCCOCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001316251375 1065994925 /nfs/dbraw/zinc/99/49/25/1065994925.db2.gz VFFUCHYBGYNVTG-DEOSSOPVSA-N 1 0 469.674 4.143 20 0 JIADRO 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COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316284471 1066040503 /nfs/dbraw/zinc/04/05/03/1066040503.db2.gz XOFVCQARFDCOTH-HUUJSLGLSA-N 1 0 461.676 4.239 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001316285357 1066041901 /nfs/dbraw/zinc/04/19/01/1066041901.db2.gz AAFKBRNJSWHVJH-FUDKSRODSA-N 1 0 477.694 4.051 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](SC)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001316291691 1066052393 /nfs/dbraw/zinc/05/23/93/1066052393.db2.gz LDVVVGPNIPAIIC-MLCQCVOFSA-N 1 0 479.735 4.092 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001316296064 1066056861 /nfs/dbraw/zinc/05/68/61/1066056861.db2.gz AVLLVMLXCZSQBB-GPXNEJASSA-N 1 0 485.673 4.028 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001316296567 1066057323 /nfs/dbraw/zinc/05/73/23/1066057323.db2.gz IAXQOVZLDHYTHM-VABKMULXSA-N 1 0 493.762 4.482 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316302691 1066062743 /nfs/dbraw/zinc/06/27/43/1066062743.db2.gz WDWQVHNOOTZDOK-BFRACDOUSA-N 1 0 493.762 4.336 20 0 JIADRO CON(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316303633 1066063861 /nfs/dbraw/zinc/06/38/61/1066063861.db2.gz HUJKIXOWQSWWRS-IBGZPJMESA-N 1 0 478.037 4.331 20 0 JIADRO CO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001316319071 1066074507 /nfs/dbraw/zinc/07/45/07/1066074507.db2.gz PMRFUVCLJLNMLN-QUCCMNQESA-N 1 0 457.669 4.468 20 0 JIADRO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001316321189 1066076828 /nfs/dbraw/zinc/07/68/28/1066076828.db2.gz FKVFLOPWIHJXRY-OFNKIYASSA-N 1 0 459.610 4.294 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316322645 1066078202 /nfs/dbraw/zinc/07/82/02/1066078202.db2.gz QLQLRQYZEYKNTN-MONBJTKQSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001316322926 1066078585 /nfs/dbraw/zinc/07/85/85/1066078585.db2.gz UQURWOIQERXESG-PXNSSMCTSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316327261 1066083351 /nfs/dbraw/zinc/08/33/51/1066083351.db2.gz YIFTUTNYUWPTTJ-NRFANRHFSA-N 1 0 476.065 4.351 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001316328228 1066083988 /nfs/dbraw/zinc/08/39/88/1066083988.db2.gz ICIUGSDNSWOYHC-FUDKSRODSA-N 1 0 455.647 4.067 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1OC ZINC001316331983 1066088016 /nfs/dbraw/zinc/08/80/16/1066088016.db2.gz VYWPNVIFEMAYDU-NEAWWFDSSA-N 1 0 494.055 4.344 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1OC ZINC001316334847 1066089717 /nfs/dbraw/zinc/08/97/17/1066089717.db2.gz YURWEKJNBFWKNS-PTUXOGIPSA-N 1 0 476.065 4.027 20 0 JIADRO C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001316361918 1066098453 /nfs/dbraw/zinc/09/84/53/1066098453.db2.gz FIBLGNFCCGFUCO-KTBRYMIGSA-N 1 0 463.736 4.260 20 0 JIADRO CSC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001316369369 1066116144 /nfs/dbraw/zinc/11/61/44/1066116144.db2.gz ZDQXTJMNEAOLRQ-UHFFFAOYSA-N 1 0 479.698 4.049 20 0 JIADRO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316377393 1066142325 /nfs/dbraw/zinc/14/23/25/1066142325.db2.gz NXLWZBJNJOPMRY-MRXNPFEDSA-N 1 0 481.508 4.490 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001316378036 1066144052 /nfs/dbraw/zinc/14/40/52/1066144052.db2.gz INSVJWLRTCWBPT-LZWOXQAQSA-N 1 0 468.440 4.271 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316380328 1066148662 /nfs/dbraw/zinc/14/86/62/1066148662.db2.gz YOOUEUKGBHTAIJ-GDBMZVCRSA-N 1 0 468.440 4.273 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316380330 1066148735 /nfs/dbraw/zinc/14/87/35/1066148735.db2.gz YOOUEUKGBHTAIJ-HOCLYGCPSA-N 1 0 468.440 4.273 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316380329 1066148757 /nfs/dbraw/zinc/14/87/57/1066148757.db2.gz YOOUEUKGBHTAIJ-GOEBONIOSA-N 1 0 468.440 4.273 20 0 JIADRO CS[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001316389482 1066162021 /nfs/dbraw/zinc/16/20/21/1066162021.db2.gz YRLZABSQCBBNPZ-STWLZBDKSA-N 1 0 497.713 4.170 20 0 JIADRO CS[C@@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316390736 1066163958 /nfs/dbraw/zinc/16/39/58/1066163958.db2.gz UTMCMGLINMJDRK-PMACEKPBSA-N 1 0 492.734 4.209 20 0 JIADRO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)(C)C ZINC001316392565 1066166965 /nfs/dbraw/zinc/16/69/65/1066166965.db2.gz DOQYHHDCHQMZBW-FCHUYYIVSA-N 1 0 457.688 4.190 20 0 JIADRO CS[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C ZINC001316392819 1066167553 /nfs/dbraw/zinc/16/75/53/1066167553.db2.gz QRSUQJIIMNBLID-NRFANRHFSA-N 1 0 457.692 4.215 20 0 JIADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCO2)CC[NH+](C)CC1 ZINC001316401391 1066179400 /nfs/dbraw/zinc/17/94/00/1066179400.db2.gz ACWVXQFSZVYWHC-LJQANCHMSA-N 1 0 450.052 4.041 20 0 JIADRO CSC1(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC001316405620 1066188282 /nfs/dbraw/zinc/18/82/82/1066188282.db2.gz NWFCTSCUMLBDDN-YTTGMZPUSA-N 1 0 475.728 4.137 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC001316408648 1066192853 /nfs/dbraw/zinc/19/28/53/1066192853.db2.gz SYKOIWITVZFYMY-UHFFFAOYSA-N 1 0 462.752 4.147 20 0 JIADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N(C)Cc2c(C)noc2C)CC[NH+](C)CC1 ZINC001316408795 1066193403 /nfs/dbraw/zinc/19/34/03/1066193403.db2.gz PWPUTDJMXSKRNV-UHFFFAOYSA-N 1 0 468.671 4.246 20 0 JIADRO CSC1(Cn2c(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)CCOCC1 ZINC001316411846 1066201441 /nfs/dbraw/zinc/20/14/41/1066201441.db2.gz VNEAXFFHKUYPRB-HXUWFJFHSA-N 1 0 457.688 4.199 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C)c2)CC[NH+](C)CC1 ZINC001316411723 1066201500 /nfs/dbraw/zinc/20/15/00/1066201500.db2.gz UVQDBBGNBRFPQO-UHFFFAOYSA-N 1 0 470.712 4.406 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001316420946 1066226283 /nfs/dbraw/zinc/22/62/83/1066226283.db2.gz BCJXHOWLKRLMDX-FCHUYYIVSA-N 1 0 493.681 4.259 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316421918 1066229616 /nfs/dbraw/zinc/22/96/16/1066229616.db2.gz IHMHOSOHICVSDE-UNMCSNQZSA-N 1 0 493.681 4.168 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCC2)C1 ZINC001316422630 1066231785 /nfs/dbraw/zinc/23/17/85/1066231785.db2.gz JMQPKZWBGPFEOZ-SFHVURJKSA-N 1 0 481.508 4.254 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316423573 1066236176 /nfs/dbraw/zinc/23/61/76/1066236176.db2.gz OXVXRZQKQVRFGR-NQIIRXRSSA-N 1 0 495.640 4.237 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOCC2(C)C)C1 ZINC001316424647 1066240400 /nfs/dbraw/zinc/24/04/00/1066240400.db2.gz VYADTFBQOSIYDX-FQEVSTJZSA-N 1 0 495.640 4.379 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316432315 1066273246 /nfs/dbraw/zinc/27/32/46/1066273246.db2.gz UYXSYMPTBCGENT-PMACEKPBSA-N 1 0 461.651 4.450 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001326131010 1066286697 /nfs/dbraw/zinc/28/66/97/1066286697.db2.gz UQMWMHWEVQDKNW-XMMPIXPASA-N 1 0 494.039 4.174 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001316436579 1066288946 /nfs/dbraw/zinc/28/89/46/1066288946.db2.gz MLTGMHBZYKDQCB-FQEVSTJZSA-N 1 0 457.047 4.457 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)[NH+](C)C ZINC001316436535 1066289153 /nfs/dbraw/zinc/28/91/53/1066289153.db2.gz LOWOFEFHDNSAJV-DZGCQCFKSA-N 1 0 456.429 4.129 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492500814 1066290067 /nfs/dbraw/zinc/29/00/67/1066290067.db2.gz SSWZOMMGIZFYCS-OAQYLSRUSA-N 1 0 462.646 4.463 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC3(c4cccc(Br)c4)CCC3)c2)CC1 ZINC001326362109 1066294430 /nfs/dbraw/zinc/29/44/30/1066294430.db2.gz OZKZLECOSKNICK-UHFFFAOYSA-N 1 0 471.443 4.075 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001316439720 1066296388 /nfs/dbraw/zinc/29/63/88/1066296388.db2.gz ZTCZTDHIZZADNP-KRWDZBQOSA-N 1 0 468.042 4.180 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001316440018 1066296857 /nfs/dbraw/zinc/29/68/57/1066296857.db2.gz PQUFIQXKJZBSFB-HKBOAZHASA-N 1 0 492.734 4.065 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC001326469086 1066298561 /nfs/dbraw/zinc/29/85/61/1066298561.db2.gz AGMLQARUVZBJMT-UHFFFAOYSA-N 1 0 475.406 4.214 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC(F)F)n2CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC001492502257 1066302587 /nfs/dbraw/zinc/30/25/87/1066302587.db2.gz PRBJYUZJWFJZSS-UHFFFAOYSA-N 1 0 464.630 4.492 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCC(F)(F)F)n2CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC001492502275 1066302741 /nfs/dbraw/zinc/30/27/41/1066302741.db2.gz QDKWREWMLCEAMA-UHFFFAOYSA-N 1 0 466.552 4.072 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 ZINC001326981753 1066308321 /nfs/dbraw/zinc/30/83/21/1066308321.db2.gz CHEQQXQCDBCMNA-LLVKDONJSA-N 1 0 465.854 4.339 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316444703 1066311608 /nfs/dbraw/zinc/31/16/08/1066311608.db2.gz BLPQKRTXPXBNJS-WOJBJXKFSA-N 1 0 497.717 4.009 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001316444570 1066311665 /nfs/dbraw/zinc/31/16/65/1066311665.db2.gz LXOBPKZJPQVCHA-HOTGVXAUSA-N 1 0 469.497 4.345 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001492503081 1066313113 /nfs/dbraw/zinc/31/31/13/1066313113.db2.gz UDKHKESVULGTCA-RUZDIDTESA-N 1 0 450.656 4.155 20 0 JIADRO COc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC001327320808 1066315089 /nfs/dbraw/zinc/31/50/89/1066315089.db2.gz LBKXVENSLOWETR-GOSISDBHSA-N 1 0 494.057 4.025 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001492503684 1066316335 /nfs/dbraw/zinc/31/63/35/1066316335.db2.gz RFSVJVGVHQIZPV-XMMPIXPASA-N 1 0 499.059 4.174 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316446517 1066317760 /nfs/dbraw/zinc/31/77/60/1066317760.db2.gz LKNVVJFQINNLEN-MSOLQXFVSA-N 1 0 452.068 4.145 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001316446864 1066319112 /nfs/dbraw/zinc/31/91/12/1066319112.db2.gz URAVLCLGPQRGTL-OAQYLSRUSA-N 1 0 494.709 4.231 20 0 JIADRO Cc1cc(C(=O)N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)n1Cc1ccco1 ZINC001328523839 1066325572 /nfs/dbraw/zinc/32/55/72/1066325572.db2.gz ICHTXXCAXCBJKO-XMMPIXPASA-N 1 0 450.583 4.275 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)CCOc2cc(Cl)ccc2Cl)CC1 ZINC001328633444 1066327685 /nfs/dbraw/zinc/32/76/85/1066327685.db2.gz DTLFLYKKPFVIDZ-UHFFFAOYSA-N 1 0 479.404 4.395 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[NH+]1CCC(C)CC1 ZINC001316453155 1066336068 /nfs/dbraw/zinc/33/60/68/1066336068.db2.gz ZAUVVEXFBDKMPO-DENIHFKCSA-N 1 0 459.660 4.100 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492511173 1066344169 /nfs/dbraw/zinc/34/41/69/1066344169.db2.gz PODWPBNYANYAFF-OAQYLSRUSA-N 1 0 454.663 4.412 20 0 JIADRO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001330226307 1066348296 /nfs/dbraw/zinc/34/82/96/1066348296.db2.gz VEKFUSZNQSBJOS-KWXIBIRDSA-N 1 0 468.601 4.250 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492512430 1066351190 /nfs/dbraw/zinc/35/11/90/1066351190.db2.gz ZEROJXUAQCAGEE-UHFFFAOYSA-N 1 0 485.677 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492513325 1066352869 /nfs/dbraw/zinc/35/28/69/1066352869.db2.gz AHMWANSBXYQJNT-UXHICEINSA-N 1 0 480.579 4.317 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3nn(-c4ccccc4F)cc3Br)CC2)c1 ZINC001332273199 1066374134 /nfs/dbraw/zinc/37/41/34/1066374134.db2.gz GYIHZSZZXLBAHV-UHFFFAOYSA-N 1 0 487.373 4.177 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4)C(=O)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492517772 1066374731 /nfs/dbraw/zinc/37/47/31/1066374731.db2.gz FHWMBEFZKZWVPG-UHFFFAOYSA-N 1 0 493.631 4.150 20 0 JIADRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001332542657 1066378458 /nfs/dbraw/zinc/37/84/58/1066378458.db2.gz AHBKMTNYPBLBIC-IIBYNOLFSA-N 1 0 479.802 4.290 20 0 JIADRO CSCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001316471442 1066378457 /nfs/dbraw/zinc/37/84/57/1066378457.db2.gz AUJWFBINCKEIIZ-ZIFCJYIRSA-N 1 0 450.052 4.498 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492518842 1066381438 /nfs/dbraw/zinc/38/14/38/1066381438.db2.gz SLRRPWFKBTXNCB-NRFANRHFSA-N 1 0 493.622 4.233 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333165630 1066384484 /nfs/dbraw/zinc/38/44/84/1066384484.db2.gz HTTJAUQXYIOUEV-PKTZIBPZSA-N 1 0 473.459 4.403 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492522241 1066390267 /nfs/dbraw/zinc/39/02/67/1066390267.db2.gz KFWATNHIKMXOST-LEWJYISDSA-N 1 0 483.661 4.016 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492522242 1066390348 /nfs/dbraw/zinc/39/03/48/1066390348.db2.gz KFWATNHIKMXOST-NHCUHLMSSA-N 1 0 483.661 4.016 20 0 JIADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316478769 1066391320 /nfs/dbraw/zinc/39/13/20/1066391320.db2.gz HUYWOAQDGDRQOG-BGYRXZFFSA-N 1 0 492.734 4.257 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001492524942 1066400025 /nfs/dbraw/zinc/40/00/25/1066400025.db2.gz COQZISWEINLRLB-UHFFFAOYSA-N 1 0 481.710 4.401 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCSCC1 ZINC001316482737 1066400165 /nfs/dbraw/zinc/40/01/65/1066400165.db2.gz QTWFNBXQDAGPIS-KRWDZBQOSA-N 1 0 495.535 4.500 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC4CC4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492525920 1066409142 /nfs/dbraw/zinc/40/91/42/1066409142.db2.gz ZNXNEHNLTNRBGW-UHFFFAOYSA-N 1 0 453.675 4.232 20 0 JIADRO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC001492526787 1066417478 /nfs/dbraw/zinc/41/74/78/1066417478.db2.gz LUKWBZSAJCWCSW-RUZDIDTESA-N 1 0 476.669 4.059 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCCCC[NH+]2CCCC2)C[C@H](C)C1(F)F ZINC001316494587 1066438643 /nfs/dbraw/zinc/43/86/43/1066438643.db2.gz FBWCNMNUKDNIBS-BGYRXZFFSA-N 1 0 463.621 4.452 20 0 JIADRO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316496352 1066444966 /nfs/dbraw/zinc/44/49/66/1066444966.db2.gz YVURYDBMZBCUMQ-UGKGYDQZSA-N 1 0 485.677 4.229 20 0 JIADRO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001316499209 1066457099 /nfs/dbraw/zinc/45/70/99/1066457099.db2.gz ONJHQEUMYHCUHE-VXKWHMMOSA-N 1 0 490.693 4.231 20 0 JIADRO C[C@@H]1CN(CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504042 1066472877 /nfs/dbraw/zinc/47/28/77/1066472877.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 1 0 488.746 4.266 20 0 JIADRO Clc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCN2CCOCC2)cc1 ZINC001316508169 1066486264 /nfs/dbraw/zinc/48/62/64/1066486264.db2.gz SBGFGSCDUVMWHY-UHFFFAOYSA-N 1 0 456.805 4.220 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316508760 1066489746 /nfs/dbraw/zinc/48/97/46/1066489746.db2.gz ZQPCMGFBNALJAE-UWJYYQICSA-N 1 0 473.618 4.364 20 0 JIADRO FC(F)(Br)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316509310 1066491078 /nfs/dbraw/zinc/49/10/78/1066491078.db2.gz UDAGAFDBELTBKU-UHFFFAOYSA-N 1 0 474.419 4.373 20 0 JIADRO FC(F)(F)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)CC1 ZINC001316510057 1066492492 /nfs/dbraw/zinc/49/24/92/1066492492.db2.gz KALCMCFXIJATIA-UHFFFAOYSA-N 1 0 475.357 4.300 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001316513921 1066503778 /nfs/dbraw/zinc/50/37/78/1066503778.db2.gz BPDGKKDLVIDMHH-HXUWFJFHSA-N 1 0 463.548 4.392 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC=CCC2)CC1 ZINC001316513920 1066503951 /nfs/dbraw/zinc/50/39/51/1066503951.db2.gz BPDGKKDLVIDMHH-FQEVSTJZSA-N 1 0 463.548 4.392 20 0 JIADRO FC(F)(F)CO[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCCC2)C1 ZINC001316515188 1066509148 /nfs/dbraw/zinc/50/91/48/1066509148.db2.gz QKOLHCZRJAVJDJ-QFIPXVFZSA-N 1 0 479.591 4.487 20 0 JIADRO FC(F)C(F)(F)COCCn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316516146 1066512364 /nfs/dbraw/zinc/51/23/64/1066512364.db2.gz HZPITCJEXZGUQX-QGZVFWFLSA-N 1 0 461.548 4.165 20 0 JIADRO FC(F)C(F)(F)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316516880 1066515527 /nfs/dbraw/zinc/51/55/27/1066515527.db2.gz QGTRXVVXQXSHTH-IBGZPJMESA-N 1 0 498.569 4.350 20 0 JIADRO O=C(/C=C\c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001338089876 1066529735 /nfs/dbraw/zinc/52/97/35/1066529735.db2.gz UNKDHWKQXHTUOP-PXDRNWIDSA-N 1 0 459.421 4.462 20 0 JIADRO Fc1ccc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSCC(F)(F)F)cc1 ZINC001316523969 1066534887 /nfs/dbraw/zinc/53/48/87/1066534887.db2.gz CKKLJHKXHHCCAV-GOSISDBHSA-N 1 0 487.567 4.356 20 0 JIADRO Fc1ccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCOC(F)F)cc1 ZINC001316523953 1066534935 /nfs/dbraw/zinc/53/49/35/1066534935.db2.gz BZMHTGIHVBSOBH-UHFFFAOYSA-N 1 0 467.536 4.080 20 0 JIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)c1 ZINC001338203567 1066537057 /nfs/dbraw/zinc/53/70/57/1066537057.db2.gz DMUPSBDUXPECOH-UHFFFAOYSA-N 1 0 497.397 4.097 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001338306398 1066543849 /nfs/dbraw/zinc/54/38/49/1066543849.db2.gz IQFYXDVBEWTXFM-UHFFFAOYSA-N 1 0 462.575 4.396 20 0 JIADRO COC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(OCC(F)(F)F)c1 ZINC001338478361 1066558094 /nfs/dbraw/zinc/55/80/94/1066558094.db2.gz RMOJLBMNWODALS-UHFFFAOYSA-N 1 0 479.499 4.463 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001339431612 1066578019 /nfs/dbraw/zinc/57/80/19/1066578019.db2.gz RFOZCQDTXAEAAX-FGCOXFRFSA-N 1 0 467.585 4.386 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CC(F)(F)Br)CC2)c1 ZINC001492534819 1066582341 /nfs/dbraw/zinc/58/23/41/1066582341.db2.gz OTRCMINCODORRJ-SFHVURJKSA-N 1 0 484.389 4.138 20 0 JIADRO Cc1cccc(Cn2c(N3CC[NH+](CCCOCC(F)(F)F)CC3)nnc2C(C)(C)C)c1 ZINC001492534877 1066582395 /nfs/dbraw/zinc/58/23/95/1066582395.db2.gz RBAAHZTZURKIOW-UHFFFAOYSA-N 1 0 453.553 4.023 20 0 JIADRO Cc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492534804 1066582435 /nfs/dbraw/zinc/58/24/35/1066582435.db2.gz OLNPYCLFBAYAEX-UHFFFAOYSA-N 1 0 473.547 4.133 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C(F)(F)F)CC2)c1 ZINC001492534711 1066583206 /nfs/dbraw/zinc/58/32/06/1066583206.db2.gz LLCDIWHTJZIHGO-IBGZPJMESA-N 1 0 451.537 4.001 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492536563 1066588687 /nfs/dbraw/zinc/58/86/87/1066588687.db2.gz BLRQJFIFXRLUKS-FDFHNCONSA-N 1 0 455.647 4.147 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001316585232 1066606456 /nfs/dbraw/zinc/60/64/56/1066606456.db2.gz PJOPUARGWMMCRU-IBGZPJMESA-N 1 0 479.467 4.043 20 0 JIADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001343275007 1066606915 /nfs/dbraw/zinc/60/69/15/1066606915.db2.gz ZDJUOZDMKCYACU-INIZCTEOSA-N 1 0 450.988 4.476 20 0 JIADRO OCCCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001316586008 1066608639 /nfs/dbraw/zinc/60/86/39/1066608639.db2.gz BGYYMGAPUKZDON-UHFFFAOYSA-N 1 0 461.601 4.012 20 0 JIADRO OCCCCN(c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCCC1)C1CC1 ZINC001316587636 1066613778 /nfs/dbraw/zinc/61/37/78/1066613778.db2.gz BXZDDDALIFNMKB-UHFFFAOYSA-N 1 0 476.463 4.325 20 0 JIADRO OCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001316588536 1066615775 /nfs/dbraw/zinc/61/57/75/1066615775.db2.gz RKDXNZXMMRPTRG-QGZVFWFLSA-N 1 0 482.854 4.198 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001492540933 1066641961 /nfs/dbraw/zinc/64/19/61/1066641961.db2.gz CABUKPNDSGOEPR-HSZRJFAPSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(C)CCCO2)c1 ZINC001492543375 1066668127 /nfs/dbraw/zinc/66/81/27/1066668127.db2.gz JRAXOZANWIBWJK-SANMLTNESA-N 1 0 455.647 4.291 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CO)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492543420 1066668269 /nfs/dbraw/zinc/66/82/69/1066668269.db2.gz LHONBBPXYHZIKX-DHIUTWEWSA-N 1 0 469.674 4.132 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001492544470 1066682699 /nfs/dbraw/zinc/68/26/99/1066682699.db2.gz PSGGCPUNKPUFSL-XMMPIXPASA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1=O ZINC001347683246 1066684172 /nfs/dbraw/zinc/68/41/72/1066684172.db2.gz OODWAJTVJXTHOK-QGZVFWFLSA-N 1 0 461.484 4.301 20 0 JIADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)C1 ZINC001317814515 1066703819 /nfs/dbraw/zinc/70/38/19/1066703819.db2.gz PVVUHUOOYGIQSF-BGYRXZFFSA-N 1 0 455.624 4.201 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492544691 1066708879 /nfs/dbraw/zinc/70/88/79/1066708879.db2.gz VVSSCQNDPNPLDT-GPXNEJASSA-N 1 0 455.647 4.147 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)CC2)cc1 ZINC001317834668 1066720442 /nfs/dbraw/zinc/72/04/42/1066720442.db2.gz LNGIOBBEOIDFAK-GOTSBHOMSA-N 1 0 483.678 4.010 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492545232 1066732275 /nfs/dbraw/zinc/73/22/75/1066732275.db2.gz IVXDQWNRFLJMAD-QPPBQGQZSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)CC2)cc1 ZINC001317859207 1066738681 /nfs/dbraw/zinc/73/86/81/1066738681.db2.gz ASHLVURWWNMLMZ-HSZRJFAPSA-N 1 0 452.002 4.389 20 0 JIADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001317877251 1066748901 /nfs/dbraw/zinc/74/89/01/1066748901.db2.gz JQXZXYYDPNKSLF-UHFFFAOYSA-N 1 0 460.669 4.430 20 0 JIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1nn(-c2ccccc2F)cc1Br ZINC001317882546 1066751694 /nfs/dbraw/zinc/75/16/94/1066751694.db2.gz LZSKXCQVADPVNL-UHFFFAOYSA-N 1 0 471.374 4.211 20 0 JIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001317893448 1066763305 /nfs/dbraw/zinc/76/33/05/1066763305.db2.gz LVGIGUOGIPIUPP-KRWDZBQOSA-N 1 0 463.376 4.402 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001317894756 1066764991 /nfs/dbraw/zinc/76/49/91/1066764991.db2.gz QYINECZXKOZYCR-UHFFFAOYSA-N 1 0 462.660 4.122 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOC(F)F)c1 ZINC001492546205 1066770491 /nfs/dbraw/zinc/77/04/91/1066770491.db2.gz QUIVUWNAIMVNSB-UHFFFAOYSA-N 1 0 451.562 4.105 20 0 JIADRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001317946646 1066804208 /nfs/dbraw/zinc/80/42/08/1066804208.db2.gz VBQDNRQAKZUSQV-UHFFFAOYSA-N 1 0 454.578 4.431 20 0 JIADRO Cc1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001317957000 1066810584 /nfs/dbraw/zinc/81/05/84/1066810584.db2.gz FMHHOEDVLTYVGS-UHFFFAOYSA-N 1 0 467.994 4.145 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3OCCOC(C)C)c(C)c2)CC1 ZINC001349140649 1066813456 /nfs/dbraw/zinc/81/34/56/1066813456.db2.gz IBHYPWHFJDCGJR-UHFFFAOYSA-N 1 0 455.599 4.202 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2cc(N3CCOC3=O)ccc2F)[NH+]2CCCCC2)cc1 ZINC001317968043 1066820384 /nfs/dbraw/zinc/82/03/84/1066820384.db2.gz DOMWECJIPJRVSV-QFIPXVFZSA-N 1 0 456.518 4.140 20 0 JIADRO COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)[C@H]2c2ccccc2OC)cc1 ZINC001317980060 1066829761 /nfs/dbraw/zinc/82/97/61/1066829761.db2.gz BZRSUOMFBABGGM-ZEQKJWHPSA-N 1 0 479.621 4.131 20 0 JIADRO Cc1c(C(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001349398308 1066837045 /nfs/dbraw/zinc/83/70/45/1066837045.db2.gz MDNFTGFLSXCADH-UHFFFAOYSA-N 1 0 450.848 4.455 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN([C@H](C)c4nccs4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492546832 1066853810 /nfs/dbraw/zinc/85/38/10/1066853810.db2.gz DLHZAPFGDFMIMG-OAQYLSRUSA-N 1 0 497.713 4.093 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318019415 1066855521 /nfs/dbraw/zinc/85/55/21/1066855521.db2.gz JPJHZYXBSKFUJM-LJQANCHMSA-N 1 0 453.612 4.231 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492546929 1066856000 /nfs/dbraw/zinc/85/60/00/1066856000.db2.gz IITNRSJNWDXLRX-VXKWHMMOSA-N 1 0 498.672 4.095 20 0 JIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(Br)ccc1Br ZINC001349603642 1066859966 /nfs/dbraw/zinc/85/99/66/1066859966.db2.gz IBOKWAYIJYMLSG-UHFFFAOYSA-N 1 0 453.178 4.001 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1CC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC001318031174 1066860711 /nfs/dbraw/zinc/86/07/11/1066860711.db2.gz WNVUVRMHOSUDPJ-HXUWFJFHSA-N 1 0 450.505 4.199 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccn3)no1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001349631397 1066862680 /nfs/dbraw/zinc/86/26/80/1066862680.db2.gz YGMIURHPBNOOCW-UHFFFAOYSA-N 1 0 454.552 4.387 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cc(C(F)(F)F)n(C)n1)C(C)(C)[NH2+]C(C)(C)C2 ZINC001349631609 1066862832 /nfs/dbraw/zinc/86/28/32/1066862832.db2.gz ZSPNWKQDRUJGED-UHFFFAOYSA-N 1 0 458.506 4.089 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)Cc1ccccc1 ZINC001318062926 1066880050 /nfs/dbraw/zinc/88/00/50/1066880050.db2.gz NUFLHRKGWQLVDI-HSZRJFAPSA-N 1 0 456.594 4.173 20 0 JIADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC001318065742 1066881471 /nfs/dbraw/zinc/88/14/71/1066881471.db2.gz ZSHNSRTYGMPVLI-HXUWFJFHSA-N 1 0 459.384 4.347 20 0 JIADRO S=c1n(CN2CCC[N@@H+]3CCC[C@H]3C2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC001318081609 1066889779 /nfs/dbraw/zinc/88/97/79/1066889779.db2.gz JWRAUNXNAFMKHK-NRFANRHFSA-N 1 0 453.681 4.437 20 0 JIADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC001318086810 1066893353 /nfs/dbraw/zinc/89/33/53/1066893353.db2.gz NJPVULWDTWPDDP-UHFFFAOYSA-N 1 0 456.458 4.214 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](OC)c1ccccc1Br ZINC001349909489 1066894527 /nfs/dbraw/zinc/89/45/27/1066894527.db2.gz ACIQMKFBOQOTFD-FQEVSTJZSA-N 1 0 459.388 4.467 20 0 JIADRO Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001492547129 1066915070 /nfs/dbraw/zinc/91/50/70/1066915070.db2.gz OWBMPZPHMISYCZ-UHFFFAOYSA-N 1 0 454.644 4.012 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001318133928 1066916300 /nfs/dbraw/zinc/91/63/00/1066916300.db2.gz YKZHOEVCGIINNO-KRWDZBQOSA-N 1 0 458.400 4.472 20 0 JIADRO CN(C)c1nc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Cl)n1-c1ccc(Br)cc1 ZINC001474701914 1066928176 /nfs/dbraw/zinc/92/81/76/1066928176.db2.gz JXQRJIBEISRSBS-VBQJREDUSA-N 1 0 451.796 4.035 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001318176791 1066940735 /nfs/dbraw/zinc/94/07/35/1066940735.db2.gz SWQBQKOYCKRABO-UXHICEINSA-N 1 0 456.606 4.310 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 ZINC001350368296 1066948749 /nfs/dbraw/zinc/94/87/49/1066948749.db2.gz GRWIHKSPLUMTBG-YKSBVNFPSA-N 1 0 457.640 4.063 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198304 1066953266 /nfs/dbraw/zinc/95/32/66/1066953266.db2.gz CHXLUXNPCCCSLU-AUSIDOKSSA-N 1 0 452.599 4.346 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001318202347 1066955574 /nfs/dbraw/zinc/95/55/74/1066955574.db2.gz HXYRJZHUSOGCBR-FQEVSTJZSA-N 1 0 483.632 4.005 20 0 JIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318214129 1066963190 /nfs/dbraw/zinc/96/31/90/1066963190.db2.gz BLEFIZNPTBXLCG-FQEVSTJZSA-N 1 0 458.587 4.065 20 0 JIADRO COc1ccc(CCN(Cc2ccccc2)C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318226427 1066971202 /nfs/dbraw/zinc/97/12/02/1066971202.db2.gz PCLRXWJFOSTXJP-UHFFFAOYSA-N 1 0 486.660 4.397 20 0 JIADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3csc(Cc4ccc(Cl)cc4)n3)cc2)CC1 ZINC001318240679 1066979465 /nfs/dbraw/zinc/97/94/65/1066979465.db2.gz UAMYJKPEBSNIDQ-UHFFFAOYSA-N 1 0 483.037 4.379 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCc2cc3cccc(OC)c3o2)CC1 ZINC001318251404 1066984385 /nfs/dbraw/zinc/98/43/85/1066984385.db2.gz UTVOEIQSYCRALQ-KRWDZBQOSA-N 1 0 454.546 4.283 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492548151 1066987756 /nfs/dbraw/zinc/98/77/56/1066987756.db2.gz SVYJXTNDHITGOB-QFQXNSOFSA-N 1 0 455.647 4.291 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C(=O)OCC)c1C ZINC001350730202 1066994182 /nfs/dbraw/zinc/99/41/82/1066994182.db2.gz WGQCUTQARGRNFX-SFHVURJKSA-N 1 0 458.580 4.261 20 0 JIADRO COc1ccc(C(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC001318270807 1066994644 /nfs/dbraw/zinc/99/46/44/1066994644.db2.gz SJSAABKLBQMSGG-MHZLTWQESA-N 1 0 488.632 4.081 20 0 JIADRO COc1ccc(-c2cc(NC(=O)N[C@H](CN3CC[NH+](C)CC3)c3ccccc3)ccc2OC)cc1 ZINC001318270858 1066994718 /nfs/dbraw/zinc/99/47/18/1066994718.db2.gz UTTPXDIAWOSTRV-AREMUKBSSA-N 1 0 474.605 4.481 20 0 JIADRO COc1cc([C@@H](C)NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OC1CCCC1 ZINC001318279913 1066999275 /nfs/dbraw/zinc/99/92/75/1066999275.db2.gz CIQHHUSTNQQOKF-OAQYLSRUSA-N 1 0 480.653 4.324 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001350848150 1067009129 /nfs/dbraw/zinc/00/91/29/1067009129.db2.gz CCGKNODZIULERK-DYESRHJHSA-N 1 0 460.500 4.499 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200739024 1067016999 /nfs/dbraw/zinc/01/69/99/1067016999.db2.gz NLLXLFTZNONNGN-ZEQRLZLVSA-N 1 0 459.615 4.438 20 0 JIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318330890 1067020464 /nfs/dbraw/zinc/02/04/64/1067020464.db2.gz AZNCEMZZDMSWNM-UHFFFAOYSA-N 1 0 459.432 4.321 20 0 JIADRO Cc1nc(CSCC(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cs1 ZINC001318355830 1067030379 /nfs/dbraw/zinc/03/03/79/1067030379.db2.gz OFIHTUILZLNTGF-UHFFFAOYSA-N 1 0 467.664 4.083 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)c2cccs2)CC1 ZINC001351009328 1067031632 /nfs/dbraw/zinc/03/16/32/1067031632.db2.gz XWSVUCAFZFSBLN-INIZCTEOSA-N 1 0 451.518 4.252 20 0 JIADRO CNC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001351028469 1067034428 /nfs/dbraw/zinc/03/44/28/1067034428.db2.gz RUVLFFSVQYQBRS-RTBURBONSA-N 1 0 454.983 4.010 20 0 JIADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)s1)N1CCCCC1 ZINC001200751355 1067041766 /nfs/dbraw/zinc/04/17/66/1067041766.db2.gz NHDDRRFUAMHCCN-UHFFFAOYSA-N 1 0 450.523 4.413 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001492548783 1067044127 /nfs/dbraw/zinc/04/41/27/1067044127.db2.gz KXDIMYUTHPXUJX-GMAHTHKFSA-N 1 0 457.688 4.475 20 0 JIADRO Cc1ccc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c(OCC(F)(F)F)c1 ZINC001318459330 1067044813 /nfs/dbraw/zinc/04/48/13/1067044813.db2.gz VJQJGVLFHNGBPE-UHFFFAOYSA-N 1 0 450.505 4.005 20 0 JIADRO COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1=O ZINC001351168840 1067054840 /nfs/dbraw/zinc/05/48/40/1067054840.db2.gz IXGMDEVNWVBCFH-IBGZPJMESA-N 1 0 455.986 4.369 20 0 JIADRO CCOc1cc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OC ZINC001318629492 1067057110 /nfs/dbraw/zinc/05/71/10/1067057110.db2.gz DMSNRJWFMZOBJH-UHFFFAOYSA-N 1 0 475.305 4.395 20 0 JIADRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC001318629756 1067057928 /nfs/dbraw/zinc/05/79/28/1067057928.db2.gz KWKHPEMSSODBNF-AREMUKBSSA-N 1 0 451.574 4.388 20 0 JIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1OC ZINC001318632453 1067057945 /nfs/dbraw/zinc/05/79/45/1067057945.db2.gz NIIKXFYAHPFOTK-OAQYLSRUSA-N 1 0 476.621 4.354 20 0 JIADRO Cc1cnn(-c2ccc(NC(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2F)c1 ZINC001200760005 1067058246 /nfs/dbraw/zinc/05/82/46/1067058246.db2.gz AADKJIVWJXTNBK-QGZVFWFLSA-N 1 0 454.525 4.093 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccc(Cl)cc2Br)C[C@H]1CS(N)(=O)=O ZINC001474728386 1067058994 /nfs/dbraw/zinc/05/89/94/1067058994.db2.gz JPGWKGIZCKFZLB-HIFRSBDPSA-N 1 0 473.820 4.251 20 0 JIADRO Cc1cc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318771825 1067059745 /nfs/dbraw/zinc/05/97/45/1067059745.db2.gz QYCSVYXXUUMVKQ-UHFFFAOYSA-N 1 0 461.532 4.120 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001545692153 1067074863 /nfs/dbraw/zinc/07/48/63/1067074863.db2.gz PDIZLDHCBIZMAN-YTFSRNRJSA-N 1 0 466.674 4.341 20 0 JIADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1Oc1cccc(Cl)c1)NC1CC1 ZINC001474746819 1067086852 /nfs/dbraw/zinc/08/68/52/1067086852.db2.gz GCMMBWDGYNGSGF-UHFFFAOYSA-N 1 0 459.793 4.066 20 0 JIADRO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC001320810031 1067093983 /nfs/dbraw/zinc/09/39/83/1067093983.db2.gz QBLBTLPEFMLFSP-UHFFFAOYSA-N 1 0 454.578 4.406 20 0 JIADRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CC1 ZINC001321486364 1067143854 /nfs/dbraw/zinc/14/38/54/1067143854.db2.gz OWBSYSQIICJDHC-UHFFFAOYSA-N 1 0 465.001 4.329 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCc3ccccc3COCc3ccccc3)c2)CC1 ZINC001321506998 1067149702 /nfs/dbraw/zinc/14/97/02/1067149702.db2.gz SRXMIBJPALMZCW-UHFFFAOYSA-N 1 0 472.633 4.150 20 0 JIADRO C[C@@H](NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001321505573 1067149995 /nfs/dbraw/zinc/14/99/95/1067149995.db2.gz CMRVIGJUNLXDMC-JOCHJYFZSA-N 1 0 485.632 4.247 20 0 JIADRO CCOC(=O)Cc1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC001351696183 1067170854 /nfs/dbraw/zinc/17/08/54/1067170854.db2.gz GCPXACTWFWXPLN-RTBURBONSA-N 1 0 455.605 4.165 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001351697948 1067171826 /nfs/dbraw/zinc/17/18/26/1067171826.db2.gz MUYCZYZAGDRXDC-WOJBJXKFSA-N 1 0 473.411 4.385 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001321616287 1067176322 /nfs/dbraw/zinc/17/63/22/1067176322.db2.gz UYYRGSWQSHVKBG-PMACEKPBSA-N 1 0 485.650 4.210 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001321615802 1067176990 /nfs/dbraw/zinc/17/69/90/1067176990.db2.gz DITDUDQOLVNWOQ-UHFFFAOYSA-N 1 0 477.630 4.475 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001200799329 1067182186 /nfs/dbraw/zinc/18/21/86/1067182186.db2.gz KJOHZIKOHAVIQF-LLVKDONJSA-N 1 0 451.203 4.218 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001321636159 1067185304 /nfs/dbraw/zinc/18/53/04/1067185304.db2.gz BVSOZUNGRLVODL-IBGZPJMESA-N 1 0 460.471 4.178 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001351739348 1067185503 /nfs/dbraw/zinc/18/55/03/1067185503.db2.gz QAXFSUIECGKDGE-HXUWFJFHSA-N 1 0 451.611 4.379 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492578002 1067200680 /nfs/dbraw/zinc/20/06/80/1067200680.db2.gz TZXDBFDLLCBNFB-ICSRJNTNSA-N 1 0 470.065 4.321 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492492215 1067223739 /nfs/dbraw/zinc/22/37/39/1067223739.db2.gz HIZLOUATSFPTAD-RCZVLFRGSA-N 1 0 496.700 4.230 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001322122549 1067254692 /nfs/dbraw/zinc/25/46/92/1067254692.db2.gz YYPLCPRVTYYXLG-QGZVFWFLSA-N 1 0 463.500 4.185 20 0 JIADRO CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1)c1ccccc1 ZINC001322223080 1067264166 /nfs/dbraw/zinc/26/41/66/1067264166.db2.gz RREVWNPDTHUOQQ-VWLOTQADSA-N 1 0 477.653 4.053 20 0 JIADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC001322380309 1067284030 /nfs/dbraw/zinc/28/40/30/1067284030.db2.gz DORYSAARNIMSAM-UHFFFAOYSA-N 1 0 486.547 4.369 20 0 JIADRO CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001300756614 1067284563 /nfs/dbraw/zinc/28/45/63/1067284563.db2.gz YAZFCBRDUPMKDP-KNQAVFIVSA-N 1 0 459.610 4.294 20 0 JIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(C)c1I ZINC001354933258 1067288578 /nfs/dbraw/zinc/28/85/78/1067288578.db2.gz VVWIDYRMEUPPKB-UHFFFAOYSA-N 1 0 456.290 4.336 20 0 JIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)cc2)cs1 ZINC001322425293 1067291430 /nfs/dbraw/zinc/29/14/30/1067291430.db2.gz WCCFXXXENQDGPD-IBGZPJMESA-N 1 0 463.651 4.426 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300758897 1067293789 /nfs/dbraw/zinc/29/37/89/1067293789.db2.gz YHRFNPVUQNIQRD-AEFFLSMTSA-N 1 0 479.448 4.015 20 0 JIADRO Cc1cccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)c1NC(=O)c1ccccc1F ZINC001322469930 1067298202 /nfs/dbraw/zinc/29/82/02/1067298202.db2.gz YDBUMQYFULVPAH-UHFFFAOYSA-N 1 0 460.553 4.068 20 0 JIADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322481082 1067298655 /nfs/dbraw/zinc/29/86/55/1067298655.db2.gz NENQBLXBLINPQJ-SFHVURJKSA-N 1 0 459.432 4.021 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001322588085 1067303894 /nfs/dbraw/zinc/30/38/94/1067303894.db2.gz BDKJMFGEZJDDEZ-UHFFFAOYSA-N 1 0 485.694 4.409 20 0 JIADRO CCCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176311 1067306177 /nfs/dbraw/zinc/30/61/77/1067306177.db2.gz NZRHPFMIILUTBD-XMMPIXPASA-N 1 0 456.652 4.316 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)C1 ZINC001352236079 1067314239 /nfs/dbraw/zinc/31/42/39/1067314239.db2.gz BFIAIXJPCNPYTD-FQEVSTJZSA-N 1 0 452.986 4.411 20 0 JIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001352236213 1067314301 /nfs/dbraw/zinc/31/43/01/1067314301.db2.gz CZJOPDWQDRFGJF-FQEVSTJZSA-N 1 0 459.594 4.119 20 0 JIADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001323595694 1067323785 /nfs/dbraw/zinc/32/37/85/1067323785.db2.gz CLUKQYNQYFWJNH-UHFFFAOYSA-N 1 0 450.004 4.265 20 0 JIADRO O=C(CSc1ccc(Br)cc1)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001323635131 1067325097 /nfs/dbraw/zinc/32/50/97/1067325097.db2.gz JGTPYRNZVVKSDZ-UHFFFAOYSA-N 1 0 476.484 4.255 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1)C1CC[NH+](C)CC1 ZINC001354995117 1067325909 /nfs/dbraw/zinc/32/59/09/1067325909.db2.gz WFYZVKFUTYCDKQ-GJZUVCINSA-N 1 0 456.631 4.193 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001492495786 1067327255 /nfs/dbraw/zinc/32/72/55/1067327255.db2.gz FPYMPFLFLHDWEL-VQTJNVASSA-N 1 0 454.644 4.408 20 0 JIADRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001354999902 1067329601 /nfs/dbraw/zinc/32/96/01/1067329601.db2.gz IZXMSLNTYSXOJT-VJGNERBWSA-N 1 0 456.586 4.111 20 0 JIADRO C[C@H](C[NH2+]Cc1ncc(I)s1)Oc1cccc(Br)c1 ZINC001200838322 1067331063 /nfs/dbraw/zinc/33/10/63/1067331063.db2.gz RBTDZSJYNPQQOJ-SECBINFHSA-N 1 0 453.143 4.067 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC001352319056 1067331627 /nfs/dbraw/zinc/33/16/27/1067331627.db2.gz WQONNCISTDOPNC-IBGZPJMESA-N 1 0 450.505 4.204 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001492496831 1067334796 /nfs/dbraw/zinc/33/47/96/1067334796.db2.gz FTWNZVUFSGOLCS-FQEVSTJZSA-N 1 0 497.688 4.216 20 0 JIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001324257636 1067337042 /nfs/dbraw/zinc/33/70/42/1067337042.db2.gz OIRAVYMREHQSNQ-HZPDHXFCSA-N 1 0 451.384 4.262 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001300782052 1067337929 /nfs/dbraw/zinc/33/79/29/1067337929.db2.gz GLVMIFBAWOWIAY-NRFANRHFSA-N 1 0 462.642 4.469 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300001167 1067338726 /nfs/dbraw/zinc/33/87/26/1067338726.db2.gz RRFQZAZRVOMKPD-SBUREZEXSA-N 1 0 472.684 4.087 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497583 1067338899 /nfs/dbraw/zinc/33/88/99/1067338899.db2.gz BHLPDGPAHQZARD-WIYYLYMNSA-N 1 0 453.660 4.465 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300001503 1067340209 /nfs/dbraw/zinc/34/02/09/1067340209.db2.gz CGOAMPKCHAPJJI-IBGZPJMESA-N 1 0 453.587 4.312 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001492498179 1067341015 /nfs/dbraw/zinc/34/10/15/1067341015.db2.gz UOLIETVPDGJPOQ-IBGZPJMESA-N 1 0 475.641 4.072 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300002065 1067342291 /nfs/dbraw/zinc/34/22/91/1067342291.db2.gz ZTYPYOWUOQRLTR-GOSISDBHSA-N 1 0 482.610 4.260 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001300784345 1067343752 /nfs/dbraw/zinc/34/37/52/1067343752.db2.gz JJAHHPCAZSBTAE-ASPBEGMCSA-N 1 0 475.703 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001300784406 1067344189 /nfs/dbraw/zinc/34/41/89/1067344189.db2.gz BIXXMDKBCNZGTD-QHCPKHFHSA-N 1 0 473.637 4.083 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300002755 1067344448 /nfs/dbraw/zinc/34/44/48/1067344448.db2.gz UFEIWIHENIQZOJ-LJQANCHMSA-N 1 0 499.681 4.470 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1C ZINC001200004332 1067344854 /nfs/dbraw/zinc/34/48/54/1067344854.db2.gz VAGYYICJWSBNLG-LJQANCHMSA-N 1 0 450.649 4.265 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001300784858 1067344977 /nfs/dbraw/zinc/34/49/77/1067344977.db2.gz GKPNEMZJOLTSRT-IBGZPJMESA-N 1 0 468.671 4.412 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001300785121 1067345664 /nfs/dbraw/zinc/34/56/64/1067345664.db2.gz AVJSAEZIXUBIQM-VQTJNVASSA-N 1 0 473.637 4.368 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c(OC)c1 ZINC001300003041 1067345929 /nfs/dbraw/zinc/34/59/29/1067345929.db2.gz YBUSZWYRJWLFAF-HSZRJFAPSA-N 1 0 499.681 4.325 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300785607 1067347296 /nfs/dbraw/zinc/34/72/96/1067347296.db2.gz HSINDEBFCMCRAF-PMACEKPBSA-N 1 0 473.637 4.368 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001300785816 1067347742 /nfs/dbraw/zinc/34/77/42/1067347742.db2.gz ODAMPDYCYSHJLX-IEBWSBKVSA-N 1 0 473.584 4.188 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cccc3c1OCCCO3)C(C)(C)[NH2+]C(C)(C)C2 ZINC001352354344 1067348638 /nfs/dbraw/zinc/34/86/38/1067348638.db2.gz FDGROMJCKKQCEP-UHFFFAOYSA-N 1 0 458.580 4.498 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001300786427 1067348937 /nfs/dbraw/zinc/34/89/37/1067348937.db2.gz MNOGYMTVYIIFSQ-XMMPIXPASA-N 1 0 469.674 4.414 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 ZINC001300787525 1067351583 /nfs/dbraw/zinc/35/15/83/1067351583.db2.gz XCXGCNCQWCDKIT-HXUWFJFHSA-N 1 0 454.663 4.026 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001300005176 1067351787 /nfs/dbraw/zinc/35/17/87/1067351787.db2.gz CSDLACNEJYEISH-IBGZPJMESA-N 1 0 484.651 4.420 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300005509 1067352853 /nfs/dbraw/zinc/35/28/53/1067352853.db2.gz GIGPNBCKKFNEBN-UHFFFAOYSA-N 1 0 468.602 4.017 20 0 JIADRO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001200850949 1067355610 /nfs/dbraw/zinc/35/56/10/1067355610.db2.gz HXRCOISENDYNII-UHFFFAOYSA-N 1 0 450.649 4.024 20 0 JIADRO O=C(NCCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)c1ccc(Br)cc1 ZINC001200009718 1067355604 /nfs/dbraw/zinc/35/56/04/1067355604.db2.gz JHOFIJCMLGFDAU-UHFFFAOYSA-N 1 0 456.171 4.313 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300008148 1067358146 /nfs/dbraw/zinc/35/81/46/1067358146.db2.gz CQKDCMINGKZWGL-UNMCSNQZSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](c2ccsc2)[NH+](C)C)c(OC)c1 ZINC001300008130 1067358391 /nfs/dbraw/zinc/35/83/91/1067358391.db2.gz CNMSBSWDFKVALW-IRLDBZIGSA-N 1 0 485.654 4.332 20 0 JIADRO COC1CC[NH+](C2(Cn3c(Cc4ccccn4)nnc3N(C)CC(C)(C)C)CCCC2)CC1 ZINC001300791970 1067362763 /nfs/dbraw/zinc/36/27/63/1067362763.db2.gz QYCNUBQJNFYAGM-UHFFFAOYSA-N 1 0 454.663 4.170 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)cc1 ZINC001355054108 1067363463 /nfs/dbraw/zinc/36/34/63/1067363463.db2.gz JBZWWURURPIEPE-UHFFFAOYSA-N 1 0 450.514 4.337 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300010745 1067363515 /nfs/dbraw/zinc/36/35/15/1067363515.db2.gz OLAYBKCRLVQEGF-QUCCMNQESA-N 1 0 485.654 4.190 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(C)ccc(F)c2Br)cc1 ZINC001355054818 1067364050 /nfs/dbraw/zinc/36/40/50/1067364050.db2.gz NREHDRFNIJWBBL-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492555371 1067365736 /nfs/dbraw/zinc/36/57/36/1067365736.db2.gz KGPKAFTWLXUWAW-IFMALSPDSA-N 1 0 466.674 4.417 20 0 JIADRO O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)Nc1ccn(CCc2ccncc2)n1 ZINC001200861138 1067368527 /nfs/dbraw/zinc/36/85/27/1067368527.db2.gz AWSGRQXTIZQNFB-HXUWFJFHSA-N 1 0 456.953 4.272 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCCSC)n2CC[N@@H+]2CCc3sccc3C2)cc1 ZINC001300015170 1067372540 /nfs/dbraw/zinc/37/25/40/1067372540.db2.gz MCLAKXJKUKZCMA-UHFFFAOYSA-N 1 0 457.669 4.263 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001492554931 1067373117 /nfs/dbraw/zinc/37/31/17/1067373117.db2.gz ZHDZPXKAOPFWLY-AOMKIAJQSA-N 1 0 490.471 4.342 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492555320 1067375990 /nfs/dbraw/zinc/37/59/90/1067375990.db2.gz JKHMLDOXKYTUOS-XZOQPEGZSA-N 1 0 462.642 4.271 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001300021759 1067386135 /nfs/dbraw/zinc/38/61/35/1067386135.db2.gz JSQFBWKZVWLZJP-JTAQYXEDSA-N 1 0 498.672 4.035 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300021820 1067386405 /nfs/dbraw/zinc/38/64/05/1067386405.db2.gz KVCFBPZKQLXOML-OFNKIYASSA-N 1 0 455.647 4.183 20 0 JIADRO O=C(Nc1ccccc1OCCn1ccnc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001355218316 1067390536 /nfs/dbraw/zinc/39/05/36/1067390536.db2.gz CZFASCLEEJYOHE-UHFFFAOYSA-N 1 0 457.321 4.161 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001492581703 1067390618 /nfs/dbraw/zinc/39/06/18/1067390618.db2.gz OLNLXRXWWJHEHI-UHFFFAOYSA-N 1 0 492.634 4.372 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300028089 1067405353 /nfs/dbraw/zinc/40/53/53/1067405353.db2.gz ZJRORGQMFAQRDF-SFHVURJKSA-N 1 0 479.547 4.153 20 0 JIADRO CCc1nc(C(=O)N(CC[NH+](C)C)Cc2cccs2)nn1-c1c(Cl)cccc1Cl ZINC001355331211 1067423173 /nfs/dbraw/zinc/42/31/73/1067423173.db2.gz QDZORINIAKNHCM-UHFFFAOYSA-N 1 0 452.411 4.402 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300032478 1067427614 /nfs/dbraw/zinc/42/76/14/1067427614.db2.gz GKRUDGDUAHUKGE-AWRGLXIESA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001352505811 1067453415 /nfs/dbraw/zinc/45/34/15/1067453415.db2.gz FZAFZHUJAILTHG-UHFFFAOYSA-N 1 0 454.464 4.369 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2C[C@@H](C)OC)cc1 ZINC001300040226 1067460950 /nfs/dbraw/zinc/46/09/50/1067460950.db2.gz IVHXJNMUXCRJIS-LEWJYISDSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc1OC ZINC001300040702 1067464324 /nfs/dbraw/zinc/46/43/24/1067464324.db2.gz ZWZIYKGARAIMAM-MHZLTWQESA-N 1 0 497.640 4.020 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300041344 1067469099 /nfs/dbraw/zinc/46/90/99/1067469099.db2.gz DMMKXPMLJGRINQ-QZTJIDSGSA-N 1 0 463.573 4.176 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300048583 1067503711 /nfs/dbraw/zinc/50/37/11/1067503711.db2.gz BSOIRMAIUKQTNN-XMMPIXPASA-N 1 0 498.716 4.108 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001300051145 1067513251 /nfs/dbraw/zinc/51/32/51/1067513251.db2.gz CPDBJZNMBNYRID-QHCPKHFHSA-N 1 0 494.478 4.452 20 0 JIADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2c(F)cccc2Sc2ccccc2)c1 ZINC001352552017 1067516657 /nfs/dbraw/zinc/51/66/57/1067516657.db2.gz DYLSYESPMNUILK-UHFFFAOYSA-N 1 0 451.567 4.198 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300051631 1067517370 /nfs/dbraw/zinc/51/73/70/1067517370.db2.gz LLXOSXQGBGPMAU-IBVKSMDESA-N 1 0 471.646 4.090 20 0 JIADRO COC(=O)Nc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)ccc1F ZINC001355593719 1067519875 /nfs/dbraw/zinc/51/98/75/1067519875.db2.gz OEGQGFOWCKCYFB-UHFFFAOYSA-N 1 0 454.424 4.027 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300055883 1067538016 /nfs/dbraw/zinc/53/80/16/1067538016.db2.gz CXTFHNQQFTXPAG-PMACEKPBSA-N 1 0 493.530 4.397 20 0 JIADRO COC(=O)/C=C\c1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001352580748 1067553187 /nfs/dbraw/zinc/55/31/87/1067553187.db2.gz RAARPFPWCCHQKO-XYCUCSGYSA-N 1 0 478.570 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300060342 1067557995 /nfs/dbraw/zinc/55/79/95/1067557995.db2.gz WLCTYJIVYXULLZ-YLJYHZDGSA-N 1 0 459.660 4.167 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300060291 1067558253 /nfs/dbraw/zinc/55/82/53/1067558253.db2.gz VRBJDHRQUFAWHS-HXUWFJFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300060288 1067558282 /nfs/dbraw/zinc/55/82/82/1067558282.db2.gz VRBJDHRQUFAWHS-FQEVSTJZSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001492583636 1067563663 /nfs/dbraw/zinc/56/36/63/1067563663.db2.gz PXWFWWJDBPODNB-AREMUKBSSA-N 1 0 466.718 4.323 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2csc(C)c2)cc1OC ZINC001300061602 1067565547 /nfs/dbraw/zinc/56/55/47/1067565547.db2.gz LBCRLSJLSZIHEC-UHFFFAOYSA-N 1 0 455.628 4.301 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2cnn(CC(C)C)c2C)cc1 ZINC001300062292 1067569482 /nfs/dbraw/zinc/56/94/82/1067569482.db2.gz YCOJOGDPNZBAQX-UHFFFAOYSA-N 1 0 479.673 4.474 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300063487 1067573052 /nfs/dbraw/zinc/57/30/52/1067573052.db2.gz SZFCZZOLQKFGJO-HBMCJLEFSA-N 1 0 455.647 4.325 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843449 1067591163 /nfs/dbraw/zinc/59/11/63/1067591163.db2.gz ZNAJCMQASWEPQE-VGSWGCGISA-N 1 0 453.384 4.259 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(C)(C)OC)c(OC)c1 ZINC001300071215 1067592662 /nfs/dbraw/zinc/59/26/62/1067592662.db2.gz QKPBBQGMVXKNAB-UHFFFAOYSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC=CO2)cc1Br ZINC001300074826 1067599011 /nfs/dbraw/zinc/59/90/11/1067599011.db2.gz GYIVEIHRAXNFBP-IBGZPJMESA-N 1 0 490.446 4.187 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2C[C@@H](SC)C(C)(C)C)cc1OC ZINC001300075398 1067600043 /nfs/dbraw/zinc/60/00/43/1067600043.db2.gz KSVQUKGZCFPLRR-JOCHJYFZSA-N 1 0 473.687 4.272 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 ZINC001355897430 1067601114 /nfs/dbraw/zinc/60/11/14/1067601114.db2.gz PKSMLEUYLAZUED-RVSNTGDXSA-N 1 0 451.615 4.121 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001300076711 1067604707 /nfs/dbraw/zinc/60/47/07/1067604707.db2.gz XLQSMFWBNRZWQM-NHCUHLMSSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300078188 1067611563 /nfs/dbraw/zinc/61/15/63/1067611563.db2.gz GOZOWQCPASTRBI-NQIIRXRSSA-N 1 0 481.563 4.233 20 0 JIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001355964724 1067620641 /nfs/dbraw/zinc/62/06/41/1067620641.db2.gz NFPFINNKJOXMMA-LJQANCHMSA-N 1 0 455.624 4.264 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)cc1Br ZINC001300082333 1067620760 /nfs/dbraw/zinc/62/07/60/1067620760.db2.gz DQMKRQIRGRPAQK-GOSISDBHSA-N 1 0 494.478 4.450 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001300086668 1067630048 /nfs/dbraw/zinc/63/00/48/1067630048.db2.gz AFRASSGHANXVBC-KRWDZBQOSA-N 1 0 482.492 4.246 20 0 JIADRO CC(C)(C)OC(=O)N1CCc2nc(CNC[C@@H]3CC[N@H+](CCc4ccccc4)C3)sc2C1 ZINC001200106015 1067630381 /nfs/dbraw/zinc/63/03/81/1067630381.db2.gz QVOCGHHLIXGTTE-FQEVSTJZSA-N 1 0 456.656 4.091 20 0 JIADRO COC(=O)CCc1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC001356009117 1067632485 /nfs/dbraw/zinc/63/24/85/1067632485.db2.gz AJTTWGRGOOHHFG-RTBURBONSA-N 1 0 455.605 4.165 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300089409 1067641003 /nfs/dbraw/zinc/64/10/03/1067641003.db2.gz QIHWJVQMIDABTK-SFHLNBCPSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300089406 1067641206 /nfs/dbraw/zinc/64/12/06/1067641206.db2.gz QIHWJVQMIDABTK-SBHAEUEKSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300090544 1067646353 /nfs/dbraw/zinc/64/63/53/1067646353.db2.gz WHMGMZOQOWWSBK-LAUBAEHRSA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(Nc3ccn(C)n3)n2CC2([NH+](C)C)CCCCC2)cc1Br ZINC001300091583 1067649665 /nfs/dbraw/zinc/64/96/65/1067649665.db2.gz AQAHNWFKANRAOX-UHFFFAOYSA-N 1 0 488.434 4.458 20 0 JIADRO COc1ccc(-c2nnc(Nc3cnn(C)c3)n2CCC[NH+]2CCCCC2)cc1Br ZINC001300092632 1067651349 /nfs/dbraw/zinc/65/13/49/1067651349.db2.gz YAFSVZPAHUZDNA-UHFFFAOYSA-N 1 0 474.407 4.069 20 0 JIADRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001356076711 1067651568 /nfs/dbraw/zinc/65/15/68/1067651568.db2.gz GGQPIXOUIOJFEQ-UHFFFAOYSA-N 1 0 456.594 4.351 20 0 JIADRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001352722354 1067652909 /nfs/dbraw/zinc/65/29/09/1067652909.db2.gz IFKYQRYLHYULCO-NHCUHLMSSA-N 1 0 458.400 4.233 20 0 JIADRO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccnc3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300099138 1067669835 /nfs/dbraw/zinc/66/98/35/1067669835.db2.gz CEUWUCRBDVTRNH-JOCHJYFZSA-N 1 0 462.642 4.396 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300099699 1067672715 /nfs/dbraw/zinc/67/27/15/1067672715.db2.gz JWJFHUCXQVZUMJ-FQEVSTJZSA-N 1 0 482.698 4.424 20 0 JIADRO C[C@@H](c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1)N1CCOCC1 ZINC001200123108 1067687073 /nfs/dbraw/zinc/68/70/73/1067687073.db2.gz XWDYHHRXIDAEAV-VSKRKVRLSA-N 1 0 450.627 4.358 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300104955 1067688592 /nfs/dbraw/zinc/68/85/92/1067688592.db2.gz LEFDMELPVHSXTP-ZFGGDYGUSA-N 1 0 496.700 4.063 20 0 JIADRO COc1ccc(CCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001300107884 1067701327 /nfs/dbraw/zinc/70/13/27/1067701327.db2.gz XJZYWJGZLSCACV-IFMALSPDSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N(C)Cc3ccoc3C)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300111911 1067713438 /nfs/dbraw/zinc/71/34/38/1067713438.db2.gz SZQIDUZWJASPFV-UHFFFAOYSA-N 1 0 451.615 4.342 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001356282704 1067715751 /nfs/dbraw/zinc/71/57/51/1067715751.db2.gz KQBRFWSVYRXPGU-QFIPXVFZSA-N 1 0 453.608 4.141 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300113961 1067720118 /nfs/dbraw/zinc/72/01/18/1067720118.db2.gz NXEYJBMVZZTYSQ-CVDCTZTESA-N 1 0 483.682 4.440 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300115075 1067723765 /nfs/dbraw/zinc/72/37/65/1067723765.db2.gz YRPDXWUEAGEJOT-CIAFKFPVSA-N 1 0 469.674 4.052 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC001356352462 1067732883 /nfs/dbraw/zinc/73/28/83/1067732883.db2.gz NBSUNXFCKOVMKQ-KRWDZBQOSA-N 1 0 452.530 4.122 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001356357250 1067734951 /nfs/dbraw/zinc/73/49/51/1067734951.db2.gz VGQIFFSUNJXXBG-ZWKOTPCHSA-N 1 0 453.384 4.370 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2ccsc2)cc1 ZINC001300119820 1067734963 /nfs/dbraw/zinc/73/49/63/1067734963.db2.gz KBRXMHWNXUXMTO-UHFFFAOYSA-N 1 0 453.656 4.343 20 0 JIADRO COc1ccc(COCCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001356362458 1067735610 /nfs/dbraw/zinc/73/56/10/1067735610.db2.gz NITBBBNFMKOFHS-UHFFFAOYSA-N 1 0 450.501 4.355 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001356367627 1067737153 /nfs/dbraw/zinc/73/71/53/1067737153.db2.gz BPBMHAWBQZTBBY-DHIUTWEWSA-N 1 0 456.631 4.334 20 0 JIADRO COc1ccc([C@@H](CNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)[NH+]2CCCC2)cc1 ZINC001200145939 1067751441 /nfs/dbraw/zinc/75/14/41/1067751441.db2.gz UXCXLDAUFVSEDP-HXUWFJFHSA-N 1 0 455.559 4.235 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300125989 1067751810 /nfs/dbraw/zinc/75/18/10/1067751810.db2.gz OGYNRLSEJXNRBL-DNVJHFABSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001300129073 1067763221 /nfs/dbraw/zinc/76/32/21/1067763221.db2.gz YTJLXTYSQXYYDF-NRFANRHFSA-N 1 0 469.655 4.300 20 0 JIADRO Cc1ccc(NC(=S)N2CCC[C@H]([NH+]3CC(CNC(=O)OC(C)(C)C)C3)C2)c(Br)c1 ZINC001200151009 1067767536 /nfs/dbraw/zinc/76/75/36/1067767536.db2.gz RWEQLQNBAXQNHF-KRWDZBQOSA-N 1 0 497.503 4.375 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300133153 1067772464 /nfs/dbraw/zinc/77/24/64/1067772464.db2.gz OKQANNBKWMPRIH-WPFOTENUSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300133151 1067772522 /nfs/dbraw/zinc/77/25/22/1067772522.db2.gz OKQANNBKWMPRIH-CQOQZXRMSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300133457 1067773714 /nfs/dbraw/zinc/77/37/14/1067773714.db2.gz UIYAIHUUTQNQMG-QHCPKHFHSA-N 1 0 469.674 4.372 20 0 JIADRO COc1ccc(CCCn2c(-c3ccc(C)o3)nnc2N2CC[NH+](CC(C)C)CC2)cc1OC ZINC001300135510 1067777636 /nfs/dbraw/zinc/77/76/36/1067777636.db2.gz SXGANIZTKSMHHP-UHFFFAOYSA-N 1 0 467.614 4.275 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000849067607 1067795914 /nfs/dbraw/zinc/79/59/14/1067795914.db2.gz OXDOLNMDCKCGJP-UHFFFAOYSA-N 1 0 450.333 4.154 20 0 JIADRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)c1 ZINC000849073434 1067796759 /nfs/dbraw/zinc/79/67/59/1067796759.db2.gz CLAKYYBNMXQLDE-UHFFFAOYSA-N 1 0 463.376 4.003 20 0 JIADRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1OC ZINC000849074115 1067797498 /nfs/dbraw/zinc/79/74/98/1067797498.db2.gz HMSRTKMCWMYCAD-UHFFFAOYSA-N 1 0 469.589 4.472 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC001300150670 1067806530 /nfs/dbraw/zinc/80/65/30/1067806530.db2.gz XJOSUABKIGTVSY-UHFFFAOYSA-N 1 0 455.647 4.191 20 0 JIADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CCc3cc(Cl)ccc3Br)CC2)CC1 ZINC001357146408 1067810193 /nfs/dbraw/zinc/81/01/93/1067810193.db2.gz XJSMKOIJIPLXSH-UHFFFAOYSA-N 1 0 456.856 4.052 20 0 JIADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H](CC3CCCCC3)NC(=O)OC(C)(C)C)nc2)C1 ZINC001357146373 1067810198 /nfs/dbraw/zinc/81/01/98/1067810198.db2.gz WZQSYKVIDHFVRS-LEWJYISDSA-N 1 0 459.635 4.024 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4cccc(Br)c4)no3)cc2)CC1 ZINC001352941431 1067812255 /nfs/dbraw/zinc/81/22/55/1067812255.db2.gz SBZOKKNQMGCVGH-UHFFFAOYSA-N 1 0 455.356 4.498 20 0 JIADRO COc1cc(CN(C)C(=O)c2ccccc2N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC001352954876 1067816562 /nfs/dbraw/zinc/81/65/62/1067816562.db2.gz WZJWXVLZTLYLOO-UHFFFAOYSA-N 1 0 459.590 4.298 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001300161835 1067816784 /nfs/dbraw/zinc/81/67/84/1067816784.db2.gz DFVFQEQJBPCCFY-NHCUHLMSSA-N 1 0 478.641 4.181 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001300162013 1067817117 /nfs/dbraw/zinc/81/71/17/1067817117.db2.gz FMKWQYPMKAGWAP-UHFFFAOYSA-N 1 0 452.990 4.209 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1F ZINC001300162394 1067817373 /nfs/dbraw/zinc/81/73/73/1067817373.db2.gz LTSSNCHOCYCDSJ-UHFFFAOYSA-N 1 0 452.578 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1O ZINC001300163004 1067818992 /nfs/dbraw/zinc/81/89/92/1067818992.db2.gz WWFWNAFWMHFWQD-NRFANRHFSA-N 1 0 485.032 4.465 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300164264 1067821636 /nfs/dbraw/zinc/82/16/36/1067821636.db2.gz MCJBBWKULKPLCY-OAQYLSRUSA-N 1 0 450.631 4.441 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC(C)(C)O ZINC001492585135 1067825144 /nfs/dbraw/zinc/82/51/44/1067825144.db2.gz YQMPPLPQKFLJCU-DHIUTWEWSA-N 1 0 453.675 4.429 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1O ZINC001300167570 1067826121 /nfs/dbraw/zinc/82/61/21/1067826121.db2.gz WKWGLDUQRQMNBW-OAQYLSRUSA-N 1 0 478.622 4.364 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001300170899 1067830197 /nfs/dbraw/zinc/83/01/97/1067830197.db2.gz YMRCHFYWSVFKCK-NFBKMPQASA-N 1 0 453.587 4.369 20 0 JIADRO Cc1cccc(Cl)c1NC(=S)N1CCC[C@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC001200197857 1067831834 /nfs/dbraw/zinc/83/18/34/1067831834.db2.gz XKFTXZJCJJCLSI-KRWDZBQOSA-N 1 0 453.052 4.266 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCCC2)cc1O ZINC001300178525 1067839669 /nfs/dbraw/zinc/83/96/69/1067839669.db2.gz CKWJIGDRZCXUKC-ZJSXRUAMSA-N 1 0 485.673 4.423 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001300178831 1067839951 /nfs/dbraw/zinc/83/99/51/1067839951.db2.gz GUBWNPWRCLCYEF-JXALWOEJSA-N 1 0 455.647 4.451 20 0 JIADRO COc1ccc(COCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC001357409417 1067845546 /nfs/dbraw/zinc/84/55/46/1067845546.db2.gz MVNLOCHONPOZGN-UHFFFAOYSA-N 1 0 451.489 4.011 20 0 JIADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001473277439 1067852790 /nfs/dbraw/zinc/85/27/90/1067852790.db2.gz JJQZNKZRVWQCKD-AEFFLSMTSA-N 1 0 455.418 4.430 20 0 JIADRO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279369 1067857169 /nfs/dbraw/zinc/85/71/69/1067857169.db2.gz XLTZWSWRMWZQOK-SFTDATJTSA-N 1 0 451.394 4.061 20 0 JIADRO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279366 1067857320 /nfs/dbraw/zinc/85/73/20/1067857320.db2.gz XLTZWSWRMWZQOK-LEWJYISDSA-N 1 0 451.394 4.061 20 0 JIADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357488815 1067857944 /nfs/dbraw/zinc/85/79/44/1067857944.db2.gz QPSNVMUNPGOVDR-OFAXGOBFSA-N 1 0 451.517 4.159 20 0 JIADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Br ZINC001357496667 1067859672 /nfs/dbraw/zinc/85/96/72/1067859672.db2.gz ZBIZFHGNBMRQEL-YSIASYRMSA-N 1 0 459.432 4.431 20 0 JIADRO CCCN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512435 1067862083 /nfs/dbraw/zinc/86/20/83/1067862083.db2.gz OTCGZGGVVFOBOY-XMMPIXPASA-N 1 0 451.586 4.398 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001200222322 1067865095 /nfs/dbraw/zinc/86/50/95/1067865095.db2.gz RWEVDCHLOQRRJP-UHFFFAOYSA-N 1 0 492.487 4.066 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 ZINC001353108516 1067868211 /nfs/dbraw/zinc/86/82/11/1067868211.db2.gz UFVYTKCGOYWXIJ-UHFFFAOYSA-N 1 0 451.517 4.226 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cn3)cc2Cl)CC1 ZINC001357554043 1067869210 /nfs/dbraw/zinc/86/92/10/1067869210.db2.gz XAIXLNREAMBSAI-UHFFFAOYSA-N 1 0 458.990 4.475 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599139 1067876147 /nfs/dbraw/zinc/87/61/47/1067876147.db2.gz KFNVDJNXPNGNKD-ZEQRLZLVSA-N 1 0 453.583 4.281 20 0 JIADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC001353146144 1067881345 /nfs/dbraw/zinc/88/13/45/1067881345.db2.gz COGYLBSAIWBLNK-UHFFFAOYSA-N 1 0 458.356 4.017 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492558739 1067882389 /nfs/dbraw/zinc/88/23/89/1067882389.db2.gz FJASUIDJXGVOOE-SZPZYZBQSA-N 1 0 469.674 4.394 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C[C@H]21 ZINC001473302603 1067889265 /nfs/dbraw/zinc/88/92/65/1067889265.db2.gz SXWZDUXRHKIDAH-OHDICMOHSA-N 1 0 457.384 4.247 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)C[C@@H]21 ZINC001473302769 1067891067 /nfs/dbraw/zinc/89/10/67/1067891067.db2.gz WVEINAFMKZQVIW-RVSPLBMKSA-N 1 0 452.477 4.279 20 0 JIADRO C[C@@H]1CN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCO1 ZINC001200254066 1067892768 /nfs/dbraw/zinc/89/27/68/1067892768.db2.gz GACUIVQJDZSELU-GOSISDBHSA-N 1 0 455.400 4.112 20 0 JIADRO COc1ccccc1-c1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c(=O)[nH]1 ZINC001357755183 1067894636 /nfs/dbraw/zinc/89/46/36/1067894636.db2.gz DABQXQXZPGBWSF-UHFFFAOYSA-N 1 0 452.942 4.120 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001200267179 1067903688 /nfs/dbraw/zinc/90/36/88/1067903688.db2.gz LNCLZPJBUAMSGV-UHFFFAOYSA-N 1 0 488.698 4.202 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001357905375 1067937022 /nfs/dbraw/zinc/93/70/22/1067937022.db2.gz PIWWCPUSMQDFFH-NVQXNPDNSA-N 1 0 456.631 4.193 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(OC(F)F)c(F)c3)cc2)C[C@H]1C ZINC001357906967 1067939003 /nfs/dbraw/zinc/93/90/03/1067939003.db2.gz SBYGCSFDHYKOCM-IAGOWNOFSA-N 1 0 450.501 4.366 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cnc(Cl)c(Br)c2)ccc1OC ZINC001357930140 1067947066 /nfs/dbraw/zinc/94/70/66/1067947066.db2.gz KMJQKDOXHZNXLV-UHFFFAOYSA-N 1 0 456.768 4.479 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2cc(F)ccc2Br)ccc1OC ZINC001357931654 1067947667 /nfs/dbraw/zinc/94/76/67/1067947667.db2.gz VNNMAQZOYAEEPV-UHFFFAOYSA-N 1 0 453.352 4.499 20 0 JIADRO COc1ccc(F)cc1Cn1c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001300244922 1067963736 /nfs/dbraw/zinc/96/37/36/1067963736.db2.gz BVMCQYIPUZLYDJ-KDURUIRLSA-N 1 0 473.637 4.097 20 0 JIADRO C[NH+](C)CCOc1cc(NC(=O)c2cccnc2Oc2cccc(Br)c2)ccn1 ZINC001357978994 1067968459 /nfs/dbraw/zinc/96/84/59/1067968459.db2.gz UBCNWQPAXRHJLY-UHFFFAOYSA-N 1 0 457.328 4.224 20 0 JIADRO CCN(C(=O)Cc1ccc(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001357996330 1067977020 /nfs/dbraw/zinc/97/70/20/1067977020.db2.gz CLOMZQDBUJOTLJ-UHFFFAOYSA-N 1 0 456.590 4.286 20 0 JIADRO Cc1cc2nc(C)c(CCC(=O)NC[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC001358033954 1067996500 /nfs/dbraw/zinc/99/65/00/1067996500.db2.gz DEPQDPDBSQXWAM-HOYKHHGWSA-N 1 0 457.981 4.189 20 0 JIADRO COc1ccc(O[C@H](C)Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001300252038 1068003656 /nfs/dbraw/zinc/00/36/56/1068003656.db2.gz SKVRNERHVGVVSL-OAQYLSRUSA-N 1 0 485.673 4.133 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492561716 1068005454 /nfs/dbraw/zinc/00/54/54/1068005454.db2.gz MVXWGMQYQNESDI-JOCHJYFZSA-N 1 0 480.701 4.459 20 0 JIADRO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062518 1068006064 /nfs/dbraw/zinc/00/60/64/1068006064.db2.gz MAESBBWAMATGCK-UPVQGACJSA-N 1 0 452.668 4.012 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001492562061 1068012442 /nfs/dbraw/zinc/01/24/42/1068012442.db2.gz QCYUOTTVMMNHFR-HXOBKFHXSA-N 1 0 465.564 4.266 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001492562062 1068012506 /nfs/dbraw/zinc/01/25/06/1068012506.db2.gz QCYUOTTVMMNHFR-SBUREZEXSA-N 1 0 465.564 4.266 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCC(C)CC1)C[C@H]2O ZINC001300262371 1068027596 /nfs/dbraw/zinc/02/75/96/1068027596.db2.gz XLMOVUOSURMPIB-TZIWHRDSSA-N 1 0 485.673 4.058 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263907 1068031783 /nfs/dbraw/zinc/03/17/83/1068031783.db2.gz RZLKULLVVMHKKJ-OAQYLSRUSA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300264920 1068034164 /nfs/dbraw/zinc/03/41/64/1068034164.db2.gz MOBQCEYRLVIFGG-VGOFRKELSA-N 1 0 469.552 4.375 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001492563943 1068047426 /nfs/dbraw/zinc/04/74/26/1068047426.db2.gz RCPHUOYBTGQMLI-YTTGMZPUSA-N 1 0 457.688 4.111 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001492564294 1068051636 /nfs/dbraw/zinc/05/16/36/1068051636.db2.gz CTXWYCWIUHSYAC-PZJWPPBQSA-N 1 0 480.613 4.253 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300272592 1068053935 /nfs/dbraw/zinc/05/39/35/1068053935.db2.gz XLEJCRUNKYWKRJ-FDFHNCONSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1noc(C)c1COc1ccc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001353364217 1068062322 /nfs/dbraw/zinc/06/23/22/1068062322.db2.gz BIQOKPUFGHPCBD-UHFFFAOYSA-N 1 0 457.640 4.281 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)n1 ZINC000509861940 1068152268 /nfs/dbraw/zinc/15/22/68/1068152268.db2.gz FMMBVZLDTHQNOC-SANMLTNESA-N 1 0 494.599 4.059 20 0 JIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)CC2)c1 ZINC001353469878 1068169652 /nfs/dbraw/zinc/16/96/52/1068169652.db2.gz FXOODCBDHHTBLU-BJKOFHAPSA-N 1 0 464.610 4.169 20 0 JIADRO Cc1cc(Br)c(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)s1 ZINC001353483119 1068190530 /nfs/dbraw/zinc/19/05/30/1068190530.db2.gz JGSROBDZCDILJX-UHFFFAOYSA-N 1 0 451.390 4.287 20 0 JIADRO CN(C)c1cccc2sc(C(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)cc21 ZINC001353484032 1068194164 /nfs/dbraw/zinc/19/41/64/1068194164.db2.gz UURJZQHKMGCCQP-UHFFFAOYSA-N 1 0 451.596 4.435 20 0 JIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1ccc(CC(F)(F)F)cc1)CC2 ZINC001200355998 1068214191 /nfs/dbraw/zinc/21/41/91/1068214191.db2.gz OBDXLYQSBSZSBW-UHFFFAOYSA-N 1 0 450.501 4.263 20 0 JIADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001473551921 1068245768 /nfs/dbraw/zinc/24/57/68/1068245768.db2.gz SGVBXNOPPRUVAV-PSWRPDDJSA-N 1 0 481.678 4.274 20 0 JIADRO COCCn1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)n1 ZINC000513928647 1068250865 /nfs/dbraw/zinc/25/08/65/1068250865.db2.gz WTJPLBQFEIMXBK-LJQANCHMSA-N 1 0 456.418 4.457 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1(C)C ZINC001473597971 1068265345 /nfs/dbraw/zinc/26/53/45/1068265345.db2.gz OZCHBZMCFLSCRP-RCCFBDPRSA-N 1 0 453.530 4.065 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300333516 1068290786 /nfs/dbraw/zinc/29/07/86/1068290786.db2.gz BLVNULGERJMYCX-OAQYLSRUSA-N 1 0 472.515 4.350 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001300333739 1068294364 /nfs/dbraw/zinc/29/43/64/1068294364.db2.gz XNLCNFFXGVAPLE-JOCHJYFZSA-N 1 0 454.663 4.169 20 0 JIADRO C[C@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000518683161 1068309546 /nfs/dbraw/zinc/30/95/46/1068309546.db2.gz KMVVGZPWGWAJCW-HNNXBMFYSA-N 1 0 472.565 4.042 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(F)(F)C2)[NH+](C)C)c1 ZINC001300336170 1068311012 /nfs/dbraw/zinc/31/10/12/1068311012.db2.gz ZECXSKDHSVSCAI-SFHVURJKSA-N 1 0 462.932 4.150 20 0 JIADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000519916806 1068317726 /nfs/dbraw/zinc/31/77/26/1068317726.db2.gz PKHHBCZLGBIINF-UHFFFAOYSA-N 1 0 461.588 4.232 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(C)noc2C)[NH+](C)C)c1 ZINC001300340728 1068324422 /nfs/dbraw/zinc/32/44/22/1068324422.db2.gz OCEOPKDNPGLUSH-DHIUTWEWSA-N 1 0 468.602 4.072 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CCC(C)(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300341105 1068326700 /nfs/dbraw/zinc/32/67/00/1068326700.db2.gz QJAZUAYORARLFY-WNCULLNHSA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)[NH+]2CCCC2)c1 ZINC001300341191 1068327567 /nfs/dbraw/zinc/32/75/67/1068327567.db2.gz QYWQDZRJJLRJDU-UKILVPOCSA-N 1 0 496.700 4.063 20 0 JIADRO COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccsc2)[NH+](C)C)c1 ZINC001300341832 1068329399 /nfs/dbraw/zinc/32/93/99/1068329399.db2.gz SVNDWCAPDZUOEP-QHCPKHFHSA-N 1 0 479.654 4.149 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCN([C@@H](C)c3nccs3)CC2)[NH+](C)C)c1 ZINC001300342733 1068332742 /nfs/dbraw/zinc/33/27/42/1068332742.db2.gz XUQPEHKZBIGGDM-REWPJTCUSA-N 1 0 497.713 4.128 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300343596 1068336053 /nfs/dbraw/zinc/33/60/53/1068336053.db2.gz HENLBNAPJIQSPS-GOSISDBHSA-N 1 0 455.628 4.059 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001300343857 1068336876 /nfs/dbraw/zinc/33/68/76/1068336876.db2.gz SDPJXKPRLZCTNQ-UHFFFAOYSA-N 1 0 452.603 4.459 20 0 JIADRO COc1ccc([C@H](CNC(=O)Nc2nnc(Cc3ccccc3F)s2)[NH+]2CCCC2)cc1 ZINC000524565395 1068353849 /nfs/dbraw/zinc/35/38/49/1068353849.db2.gz RRMKCNNVADYDHT-FQEVSTJZSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccc1OCCOc1cccc(Br)c1 ZINC001474123540 1068357990 /nfs/dbraw/zinc/35/79/90/1068357990.db2.gz ZXFZOTYVMNBWQE-PMACEKPBSA-N 1 0 450.373 4.309 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300350259 1068359029 /nfs/dbraw/zinc/35/90/29/1068359029.db2.gz DJUINRGXSBHDGE-UHFFFAOYSA-N 1 0 495.653 4.419 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001300350881 1068361503 /nfs/dbraw/zinc/36/15/03/1068361503.db2.gz PGLUWRPQXFZBCY-ROUUACIJSA-N 1 0 484.670 4.243 20 0 JIADRO Cc1nccc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)n1 ZINC000622373341 1068361843 /nfs/dbraw/zinc/36/18/43/1068361843.db2.gz LAFNBFCESJSVFA-QFIPXVFZSA-N 1 0 469.511 4.420 20 0 JIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001474154185 1068361926 /nfs/dbraw/zinc/36/19/26/1068361926.db2.gz REDFQQGQIPDCKG-OAQYLSRUSA-N 1 0 455.668 4.396 20 0 JIADRO Cc1cccc(C(=O)N2CCC([NH2+]Cc3cccc(NC(=O)NCc4ccncc4)c3)CC2)c1 ZINC001200390617 1068363701 /nfs/dbraw/zinc/36/37/01/1068363701.db2.gz MGGNWAQJGPFTII-UHFFFAOYSA-N 1 0 457.578 4.106 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300353512 1068369032 /nfs/dbraw/zinc/36/90/32/1068369032.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 1 0 498.716 4.010 20 0 JIADRO COc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001300354382 1068372368 /nfs/dbraw/zinc/37/23/68/1068372368.db2.gz DGGMYWSSOVXHHQ-UHFFFAOYSA-N 1 0 494.606 4.149 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300359546 1068383354 /nfs/dbraw/zinc/38/33/54/1068383354.db2.gz DQXPMRYQOADIML-OZIGNCPNSA-N 1 0 495.590 4.478 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300359548 1068383483 /nfs/dbraw/zinc/38/34/83/1068383483.db2.gz DQXPMRYQOADIML-WEMPKCCASA-N 1 0 495.590 4.478 20 0 JIADRO Cc1sc(=O)n(CC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC001353637291 1068389834 /nfs/dbraw/zinc/38/98/34/1068389834.db2.gz SHHVRXRPMZFFJJ-QGZVFWFLSA-N 1 0 453.583 4.366 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300367709 1068408856 /nfs/dbraw/zinc/40/88/56/1068408856.db2.gz QIWUBWROWCYGQD-QPPBQGQZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300367711 1068408980 /nfs/dbraw/zinc/40/89/80/1068408980.db2.gz QIWUBWROWCYGQD-XUZZJYLKSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001300374790 1068441232 /nfs/dbraw/zinc/44/12/32/1068441232.db2.gz KJISCNPLMPUGDH-UHFFFAOYSA-N 1 0 460.420 4.175 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375642 1068445761 /nfs/dbraw/zinc/44/57/61/1068445761.db2.gz FZYOXWVIAPYEOH-DHIUTWEWSA-N 1 0 496.700 4.207 20 0 JIADRO S=C(NCC[NH+]1CCCCC1)Nc1c(Br)cnc(Cl)c1Br ZINC001200419179 1068470883 /nfs/dbraw/zinc/47/08/83/1068470883.db2.gz STTNTOWJLIOPJD-UHFFFAOYSA-N 1 0 456.635 4.032 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001300385452 1068483136 /nfs/dbraw/zinc/48/31/36/1068483136.db2.gz PUGJKZDNOWRAHF-RBBKRZOGSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001300387937 1068493554 /nfs/dbraw/zinc/49/35/54/1068493554.db2.gz DTBDRVNGDMWVAV-NRFANRHFSA-N 1 0 498.672 4.131 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001300387791 1068493786 /nfs/dbraw/zinc/49/37/86/1068493786.db2.gz BQIFICXYHUVDJO-AREMUKBSSA-N 1 0 483.682 4.481 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001300387938 1068493830 /nfs/dbraw/zinc/49/38/30/1068493830.db2.gz DTBDRVNGDMWVAV-OAQYLSRUSA-N 1 0 498.672 4.131 20 0 JIADRO CCc1nc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)cc2nc1CC ZINC001353735529 1068526797 /nfs/dbraw/zinc/52/67/97/1068526797.db2.gz NFERZZMFEOSFNI-NRFANRHFSA-N 1 0 459.594 4.173 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001353736453 1068529175 /nfs/dbraw/zinc/52/91/75/1068529175.db2.gz ZXDNEDIPTHDDOH-SFHVURJKSA-N 1 0 451.901 4.273 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccccc2NC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200433244 1068529490 /nfs/dbraw/zinc/52/94/90/1068529490.db2.gz LUWWJWVKHJUFJU-IBGZPJMESA-N 1 0 462.660 4.237 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001300397223 1068537430 /nfs/dbraw/zinc/53/74/30/1068537430.db2.gz ABVZWOXSIRZUFU-ZCNNSNEGSA-N 1 0 477.600 4.182 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300397706 1068539823 /nfs/dbraw/zinc/53/98/23/1068539823.db2.gz KIMMXSCUQPSIPS-IRLDBZIGSA-N 1 0 498.672 4.178 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300399109 1068548359 /nfs/dbraw/zinc/54/83/59/1068548359.db2.gz GBZKZLCVYWDOKX-DEOSSOPVSA-N 1 0 482.673 4.279 20 0 JIADRO C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001200438505 1068553611 /nfs/dbraw/zinc/55/36/11/1068553611.db2.gz DEKQIXFNPXATPW-HXUWFJFHSA-N 1 0 454.615 4.268 20 0 JIADRO COc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)ccc1OC(F)F ZINC001200440025 1068556404 /nfs/dbraw/zinc/55/64/04/1068556404.db2.gz YKACJIQDAJJLOE-UHFFFAOYSA-N 1 0 457.315 4.197 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001300406182 1068569953 /nfs/dbraw/zinc/56/99/53/1068569953.db2.gz AYOIZVDFALWRAS-QFIPXVFZSA-N 1 0 494.684 4.231 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2c(F)cccc2F)CC1 ZINC001353774636 1068570093 /nfs/dbraw/zinc/57/00/93/1068570093.db2.gz PRTLJXIWSUSSEI-UHFFFAOYSA-N 1 0 455.471 4.375 20 0 JIADRO Oc1ccc2ccccc2c1[C@@H]1c2ccccc2C=C[C@@]1(O)NC(=S)NCC[NH+]1CCCCC1 ZINC001200445751 1068578488 /nfs/dbraw/zinc/57/84/88/1068578488.db2.gz WQNITDVOGFRWRG-XCZPVHLTSA-N 1 0 473.642 4.343 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC001353791385 1068589498 /nfs/dbraw/zinc/58/94/98/1068589498.db2.gz XRSPJAWHYYYTHQ-RCZVLFRGSA-N 1 0 471.667 4.448 20 0 JIADRO COc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1OC ZINC001300427867 1068670240 /nfs/dbraw/zinc/67/02/40/1068670240.db2.gz ILTRBNWSNCOYSC-UHFFFAOYSA-N 1 0 469.655 4.307 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1 ZINC001353884656 1068718909 /nfs/dbraw/zinc/71/89/09/1068718909.db2.gz MVRYCCZWWADFGV-UHFFFAOYSA-N 1 0 459.594 4.139 20 0 JIADRO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001300442757 1068724242 /nfs/dbraw/zinc/72/42/42/1068724242.db2.gz QFFCAHOZRKBPNC-JOCHJYFZSA-N 1 0 468.690 4.423 20 0 JIADRO CC[C@@H](C)NC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491264 1068733995 /nfs/dbraw/zinc/73/39/95/1068733995.db2.gz HEQZKSOYXMZHAO-IFMALSPDSA-N 1 0 474.715 4.398 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001300447663 1068742900 /nfs/dbraw/zinc/74/29/00/1068742900.db2.gz XCJIPJDSPJVXIG-IBGZPJMESA-N 1 0 453.587 4.289 20 0 JIADRO COc1cccc(OCCCn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001300448217 1068744178 /nfs/dbraw/zinc/74/41/78/1068744178.db2.gz XBIDUZJPUJNZRD-UHFFFAOYSA-N 1 0 478.641 4.376 20 0 JIADRO COc1ccccc1[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)OC(C)C ZINC001300460600 1068793113 /nfs/dbraw/zinc/79/31/13/1068793113.db2.gz VSNFKOOWBPORRU-VWLOTQADSA-N 1 0 499.700 4.343 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001492565724 1068797441 /nfs/dbraw/zinc/79/74/41/1068797441.db2.gz HVKBDJVHGIDQGY-QFIPXVFZSA-N 1 0 466.674 4.118 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2scnc2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300464518 1068802474 /nfs/dbraw/zinc/80/24/74/1068802474.db2.gz ADTWEWQENZENRM-ROUUACIJSA-N 1 0 484.670 4.243 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC(F)(F)F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300469530 1068810254 /nfs/dbraw/zinc/81/02/54/1068810254.db2.gz CGGVHWNCAPVMNU-IAGOWNOFSA-N 1 0 469.552 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300470172 1068810990 /nfs/dbraw/zinc/81/09/90/1068810990.db2.gz JPDVQKILPZKXOC-WOJBJXKFSA-N 1 0 452.603 4.336 20 0 JIADRO COc1ccccc1-c1nnc(N(CCC(F)(F)F)CC2CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300473576 1068818226 /nfs/dbraw/zinc/81/82/26/1068818226.db2.gz HEXKQVYKIOFISI-UHFFFAOYSA-N 1 0 495.590 4.358 20 0 JIADRO CC(C)OC(=O)NCc1ccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001200524701 1068819480 /nfs/dbraw/zinc/81/94/80/1068819480.db2.gz NSPVBUDIHDYONJ-UHFFFAOYSA-N 1 0 454.571 4.118 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300473952 1068819840 /nfs/dbraw/zinc/81/98/40/1068819840.db2.gz AIGJTMYFNRYFEY-OYRHEFFESA-N 1 0 485.673 4.094 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300474155 1068820337 /nfs/dbraw/zinc/82/03/37/1068820337.db2.gz VEKZUCSPBBKGIE-FDFHNCONSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N(CC(C)C)C2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001300474548 1068821306 /nfs/dbraw/zinc/82/13/06/1068821306.db2.gz ZCCGGLICKFNYPV-UHFFFAOYSA-N 1 0 455.647 4.206 20 0 JIADRO COc1cccc(CNC(=S)NCC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1OC ZINC001200528476 1068827486 /nfs/dbraw/zinc/82/74/86/1068827486.db2.gz OTKMXEZOJLWOJK-UHFFFAOYSA-N 1 0 492.483 4.343 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492567465 1068834617 /nfs/dbraw/zinc/83/46/17/1068834617.db2.gz AXAYGKBVCYRLBE-QHCPKHFHSA-N 1 0 480.701 4.316 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300481018 1068834825 /nfs/dbraw/zinc/83/48/25/1068834825.db2.gz GSTCENXGYCYVGF-IFMALSPDSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001300482212 1068837505 /nfs/dbraw/zinc/83/75/05/1068837505.db2.gz LJVQIUKQTBHGEQ-SFTDATJTSA-N 1 0 455.647 4.183 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001492567987 1068839140 /nfs/dbraw/zinc/83/91/40/1068839140.db2.gz JBPYFMCSMDBRHZ-UHFFFAOYSA-N 1 0 474.531 4.168 20 0 JIADRO COc1cc(NC(=S)N2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(OC)cc1Cl ZINC001200534389 1068843049 /nfs/dbraw/zinc/84/30/49/1068843049.db2.gz CTPGZAQQPFUWFG-INIZCTEOSA-N 1 0 480.030 4.403 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCOc1ncccc1F ZINC001300485299 1068843444 /nfs/dbraw/zinc/84/34/44/1068843444.db2.gz HWANPUJMOALPGU-UHFFFAOYSA-N 1 0 482.604 4.123 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492568301 1068843501 /nfs/dbraw/zinc/84/35/01/1068843501.db2.gz WCNYHDCUPOISRB-HXUWFJFHSA-N 1 0 456.635 4.087 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492568369 1068844624 /nfs/dbraw/zinc/84/46/24/1068844624.db2.gz NKZPCFGYTOLXFU-SFTDATJTSA-N 1 0 478.607 4.447 20 0 JIADRO COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541775 1068857837 /nfs/dbraw/zinc/85/78/37/1068857837.db2.gz GSHDYOCSAZYWKH-QIUISVASSA-N 1 0 469.651 4.004 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300492351 1068858245 /nfs/dbraw/zinc/85/82/45/1068858245.db2.gz PTWYBVQNPKTNGW-FQEVSTJZSA-N 1 0 495.590 4.358 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001300493907 1068861176 /nfs/dbraw/zinc/86/11/76/1068861176.db2.gz YQDDWEBIKIDINM-UHFFFAOYSA-N 1 0 482.604 4.123 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 ZINC001354065774 1068874388 /nfs/dbraw/zinc/87/43/88/1068874388.db2.gz BZRPOBHCGJHOPT-LJQANCHMSA-N 1 0 458.002 4.283 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(C)C ZINC001300505438 1068876569 /nfs/dbraw/zinc/87/65/69/1068876569.db2.gz IJWMCQPLGNKIPB-OAQYLSRUSA-N 1 0 455.647 4.185 20 0 JIADRO CN(c1ccc(OC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)S(=O)(=O)c1cccs1 ZINC001354068193 1068876947 /nfs/dbraw/zinc/87/69/47/1068876947.db2.gz HLVQABYTAQICGL-IBGZPJMESA-N 1 0 456.589 4.001 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001300506986 1068880761 /nfs/dbraw/zinc/88/07/61/1068880761.db2.gz YPENFZYHXBDISS-UHFFFAOYSA-N 1 0 486.567 4.309 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513746 1068894822 /nfs/dbraw/zinc/89/48/22/1068894822.db2.gz PIYQARBJJHEPPS-RBBKRZOGSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300522032 1068915627 /nfs/dbraw/zinc/91/56/27/1068915627.db2.gz QDCKLIPTLWCPFF-IFMALSPDSA-N 1 0 455.647 4.163 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147160 1068930699 /nfs/dbraw/zinc/93/06/99/1068930699.db2.gz HVNQEGDARBJKNK-LADGPHEKSA-N 1 0 451.586 4.049 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300528663 1068933778 /nfs/dbraw/zinc/93/37/78/1068933778.db2.gz FZECGPTUTJSUEV-BWKNWUBXSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300530194 1068939511 /nfs/dbraw/zinc/93/95/11/1068939511.db2.gz MUNPAQQLPPMJCJ-QFIPXVFZSA-N 1 0 476.669 4.462 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300533207 1068949106 /nfs/dbraw/zinc/94/91/06/1068949106.db2.gz VVPRFNVMBAUPSQ-PMACEKPBSA-N 1 0 482.698 4.442 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300536070 1068955709 /nfs/dbraw/zinc/95/57/09/1068955709.db2.gz OBQLYNIQBLMZOI-QFIPXVFZSA-N 1 0 468.671 4.399 20 0 JIADRO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200587645 1068963718 /nfs/dbraw/zinc/96/37/18/1068963718.db2.gz ZZUBMTMZLORRNH-INIZCTEOSA-N 1 0 457.015 4.097 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492569050 1068964749 /nfs/dbraw/zinc/96/47/49/1068964749.db2.gz JXYXDOLTLMSEML-OAQYLSRUSA-N 1 0 470.662 4.287 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492569205 1068967095 /nfs/dbraw/zinc/96/70/95/1068967095.db2.gz PHCXWFSQQVDQAF-WOJBJXKFSA-N 1 0 466.596 4.303 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492569266 1068968339 /nfs/dbraw/zinc/96/83/39/1068968339.db2.gz RAILRRIXBIQWOV-JIPXPUAJSA-N 1 0 466.674 4.069 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001200590848 1068974077 /nfs/dbraw/zinc/97/40/77/1068974077.db2.gz PSXSPXJLEYBQPR-LJQANCHMSA-N 1 0 452.437 4.403 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300541956 1068975356 /nfs/dbraw/zinc/97/53/56/1068975356.db2.gz JYYJETVJCRQUMO-NRFANRHFSA-N 1 0 457.663 4.249 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001474626340 1068979225 /nfs/dbraw/zinc/97/92/25/1068979225.db2.gz VKWHDXFXYGYRHP-RMHZUWNSSA-N 1 0 464.242 4.071 20 0 JIADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C2)c1 ZINC001354209785 1068980008 /nfs/dbraw/zinc/98/00/08/1068980008.db2.gz KTOVXJKKQSKCIJ-DPLHUUCSSA-N 1 0 453.652 4.416 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1c(C)noc1C ZINC001300555415 1069010151 /nfs/dbraw/zinc/01/01/51/1069010151.db2.gz DEFGGAMWUXYAJW-UHFFFAOYSA-N 1 0 466.630 4.087 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001492586998 1069018504 /nfs/dbraw/zinc/01/85/04/1069018504.db2.gz ATSQDNKGVKKPGL-RBBKRZOGSA-N 1 0 497.581 4.407 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300558290 1069020517 /nfs/dbraw/zinc/02/05/17/1069020517.db2.gz ZKKGKDJJUGNMOA-UHFFFAOYSA-N 1 0 469.674 4.393 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001492587168 1069020554 /nfs/dbraw/zinc/02/05/54/1069020554.db2.gz GVGLKXZENOOWKW-OAQYLSRUSA-N 1 0 478.607 4.126 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492589189 1069036914 /nfs/dbraw/zinc/03/69/14/1069036914.db2.gz NCWBFLWYMVESTL-BEZYRKKYSA-N 1 0 453.675 4.143 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001492571614 1069039472 /nfs/dbraw/zinc/03/94/72/1069039472.db2.gz DNWZGTHUBBPMLU-XKCSPQBFSA-N 1 0 482.673 4.333 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300563594 1069042048 /nfs/dbraw/zinc/04/20/48/1069042048.db2.gz NOIWWYGROGOFPL-FQEVSTJZSA-N 1 0 476.463 4.343 20 0 JIADRO Cc1csc(SCc2ccccc2C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC001300566342 1069056074 /nfs/dbraw/zinc/05/60/74/1069056074.db2.gz GULCOAQCNFCWCG-OAQYLSRUSA-N 1 0 453.633 4.240 20 0 JIADRO COc1ccc(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849488679 1069056309 /nfs/dbraw/zinc/05/63/09/1069056309.db2.gz IERMPSVTBMXTFC-CLJLJLNGSA-N 1 0 452.643 4.114 20 0 JIADRO COc1ccc(-c2nc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490683 1069058542 /nfs/dbraw/zinc/05/85/42/1069058542.db2.gz WCCDLXGQODWDPV-RTWAWAEBSA-N 1 0 453.612 4.313 20 0 JIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)C[C@H](C)O1 ZINC000504136322 1069058728 /nfs/dbraw/zinc/05/87/28/1069058728.db2.gz NXUFUXPBNHHYSU-IRXDYDNUSA-N 1 0 469.586 4.199 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849492000 1069059478 /nfs/dbraw/zinc/05/94/78/1069059478.db2.gz BKIYPVZVPFIFJV-ZRRNVASKSA-N 1 0 468.671 4.192 20 0 JIADRO Cc1sc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492020 1069059616 /nfs/dbraw/zinc/05/96/16/1069059616.db2.gz PKFOZJREXDFERE-MSOLQXFVSA-N 1 0 461.538 4.127 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493840 1069063750 /nfs/dbraw/zinc/06/37/50/1069063750.db2.gz MLVVQBYNCAUYQP-MOPGFXCFSA-N 1 0 456.641 4.017 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001300567860 1069064351 /nfs/dbraw/zinc/06/43/51/1069064351.db2.gz LYODCUCTZNJKLJ-GOSISDBHSA-N 1 0 484.670 4.010 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493575 1069064794 /nfs/dbraw/zinc/06/47/94/1069064794.db2.gz YAEAQBPPZSLWBM-MSOLQXFVSA-N 1 0 464.422 4.448 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849495029 1069065743 /nfs/dbraw/zinc/06/57/43/1069065743.db2.gz ANLURWHLHVIMQB-FKBYEOEOSA-N 1 0 492.451 4.171 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849495566 1069067750 /nfs/dbraw/zinc/06/77/50/1069067750.db2.gz DAWWJIGPOXKCMH-FGZHOGPDSA-N 1 0 459.432 4.188 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849497043 1069068650 /nfs/dbraw/zinc/06/86/50/1069068650.db2.gz CONRWFPQGOBXPZ-RTWAWAEBSA-N 1 0 461.448 4.091 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2sc(Br)cc2s1 ZINC001300568991 1069069149 /nfs/dbraw/zinc/06/91/49/1069069149.db2.gz CHUUHGGEZYESQC-AWEZNQCLSA-N 1 0 451.411 4.222 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499300 1069069719 /nfs/dbraw/zinc/06/97/19/1069069719.db2.gz VDXRKXZATNJCRW-DNQXCXABSA-N 1 0 498.096 4.182 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)s2)c1 ZINC000504146923 1069070860 /nfs/dbraw/zinc/07/08/60/1069070860.db2.gz MQRSOJDNSYEQPH-NRFANRHFSA-N 1 0 451.596 4.405 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(I)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849502408 1069074776 /nfs/dbraw/zinc/07/47/76/1069074776.db2.gz ZZIQJBLDOMCOKC-JKSUJKDBSA-N 1 0 486.785 4.131 20 0 JIADRO CCCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849502806 1069076838 /nfs/dbraw/zinc/07/68/38/1069076838.db2.gz SSOKKXCPAWQCCY-PMOQBDJRSA-N 1 0 456.631 4.299 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503373 1069077850 /nfs/dbraw/zinc/07/78/50/1069077850.db2.gz IGUYVCHXOAJTDF-WPYKKVEZSA-N 1 0 485.401 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCSCc2cccc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849506074 1069086163 /nfs/dbraw/zinc/08/61/63/1069086163.db2.gz LBCRMGFXSITCRM-DQEYMECFSA-N 1 0 450.652 4.437 20 0 JIADRO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2cc(C(F)(F)F)ccc2S1 ZINC000849506590 1069088030 /nfs/dbraw/zinc/08/80/30/1069088030.db2.gz WYWUDKRDYTYMQM-ZTFGCOKTSA-N 1 0 452.546 4.392 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849506747 1069088981 /nfs/dbraw/zinc/08/89/81/1069088981.db2.gz NNYYICCNPVPXNL-FGZHOGPDSA-N 1 0 473.459 4.235 20 0 JIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510034 1069091863 /nfs/dbraw/zinc/09/18/63/1069091863.db2.gz GJZXNYYLXXNVPI-TUACAJSNSA-N 1 0 465.642 4.196 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849511370 1069093016 /nfs/dbraw/zinc/09/30/16/1069093016.db2.gz YGYCFNCCDPUZHJ-NDXORKPFSA-N 1 0 452.521 4.053 20 0 JIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849510877 1069095654 /nfs/dbraw/zinc/09/56/54/1069095654.db2.gz LXYIBBBHFGTZSB-VJGNERBWSA-N 1 0 478.612 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849511810 1069096113 /nfs/dbraw/zinc/09/61/13/1069096113.db2.gz USYCLJLLDWXDOG-RTBURBONSA-N 1 0 453.414 4.126 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849513854 1069097704 /nfs/dbraw/zinc/09/77/04/1069097704.db2.gz FGSZVNDOWJKEDO-BJKOFHAPSA-N 1 0 467.589 4.119 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514170 1069098246 /nfs/dbraw/zinc/09/82/46/1069098246.db2.gz AEZWEHRWODGAJE-CLJLJLNGSA-N 1 0 463.601 4.040 20 0 JIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000849515337 1069099283 /nfs/dbraw/zinc/09/92/83/1069099283.db2.gz LRZKAZJWOKWGCP-LEWJYISDSA-N 1 0 474.531 4.386 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514869 1069099922 /nfs/dbraw/zinc/09/99/22/1069099922.db2.gz AZNYZBBQQHQLFT-VQTJNVASSA-N 1 0 462.063 4.079 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849516417 1069100615 /nfs/dbraw/zinc/10/06/15/1069100615.db2.gz PHVXKLQDUMGWKM-RTBURBONSA-N 1 0 451.596 4.187 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517053 1069103495 /nfs/dbraw/zinc/10/34/95/1069103495.db2.gz MPXZRLFQNMFTIW-CYXNTTPDSA-N 1 0 490.648 4.351 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517966 1069105873 /nfs/dbraw/zinc/10/58/73/1069105873.db2.gz GEDVZKIDNVENAC-DNQXCXABSA-N 1 0 464.541 4.231 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC(C)(C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300578487 1069106314 /nfs/dbraw/zinc/10/63/14/1069106314.db2.gz ICGNMMFHBYXRER-OAQYLSRUSA-N 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Cc1ccccc1CCn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001492591653 1069304897 /nfs/dbraw/zinc/30/48/97/1069304897.db2.gz KHTQWYGDWKJQDQ-SZPZYZBQSA-N 1 0 453.675 4.452 20 0 JIADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc1)C2 ZINC001164401551 718854396 /nfs/dbraw/zinc/85/43/96/718854396.db2.gz BNIKKJORTNNILZ-QRQCRPRQSA-N 1 0 476.980 4.063 20 0 JIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164414460 718880847 /nfs/dbraw/zinc/88/08/47/718880847.db2.gz UNYDUNFALXGGQS-GOSISDBHSA-N 1 0 495.615 4.056 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164613877 719011706 /nfs/dbraw/zinc/01/17/06/719011706.db2.gz AEAYTRXTNCDRLH-XMSQKQJNSA-N 1 0 453.961 4.307 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164613875 719011922 /nfs/dbraw/zinc/01/19/22/719011922.db2.gz AEAYTRXTNCDRLH-PGRDOPGGSA-N 1 0 453.961 4.307 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC2)CC1 ZINC001164613798 719022906 /nfs/dbraw/zinc/02/29/06/719022906.db2.gz FCOHROANWYIYPS-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)CC1 ZINC001164617588 719032295 /nfs/dbraw/zinc/03/22/95/719032295.db2.gz MIGZCSXLDJESBQ-UHFFFAOYSA-N 1 0 491.661 4.486 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)CC2)CC1 ZINC001164617565 719035385 /nfs/dbraw/zinc/03/53/85/719035385.db2.gz LYJOJBZPEMMUKT-UHFFFAOYSA-N 1 0 474.989 4.175 20 0 JIADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1C ZINC001164626807 719098041 /nfs/dbraw/zinc/09/80/41/719098041.db2.gz IWKFZSZQWFHTSM-PKTZIBPZSA-N 1 0 477.678 4.241 20 0 JIADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164632119 719141024 /nfs/dbraw/zinc/14/10/24/719141024.db2.gz PDKQHRZGTJEEOG-RUZDIDTESA-N 1 0 462.638 4.155 20 0 JIADRO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CCN4CC)[nH+]cc21 ZINC001164658964 719353307 /nfs/dbraw/zinc/35/33/07/719353307.db2.gz NMNVBJUPXYJDJL-UHFFFAOYSA-N 1 0 484.604 4.434 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164685083 719610748 /nfs/dbraw/zinc/61/07/48/719610748.db2.gz QSEMYJKLSXHNPR-UHFFFAOYSA-N 1 0 455.340 4.217 20 0 JIADRO Cc1sc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164680651 719659386 /nfs/dbraw/zinc/65/93/86/719659386.db2.gz GXSDVIJHYKHMQY-FQEVSTJZSA-N 1 0 477.678 4.402 20 0 JIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684265 719661729 /nfs/dbraw/zinc/66/17/29/719661729.db2.gz WTJIBHOEVWVSGM-GOSISDBHSA-N 1 0 492.014 4.077 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4c3CCC4)CC2)c2ccccc21 ZINC001164680357 719662886 /nfs/dbraw/zinc/66/28/86/719662886.db2.gz FZSPNONIOBVAJE-IBGZPJMESA-N 1 0 467.057 4.317 20 0 JIADRO COc1ccc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc2c1 ZINC001164680938 719664995 /nfs/dbraw/zinc/66/49/95/719664995.db2.gz JCHPECNAMWGHOR-JOCHJYFZSA-N 1 0 472.633 4.337 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@H](F)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164684168 719667789 /nfs/dbraw/zinc/66/77/89/719667789.db2.gz SLIXLTJNVNKALW-CYFREDJKSA-N 1 0 459.009 4.292 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc(OCc4ccccc4)cn3)CC2)c2ccccc21 ZINC001164680756 719674580 /nfs/dbraw/zinc/67/45/80/719674580.db2.gz HIMDOKCVJQYQBF-XMMPIXPASA-N 1 0 499.659 4.149 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(n3)-c3ccccc3CC4)CC2)c2ccccc21 ZINC001164685913 719675132 /nfs/dbraw/zinc/67/51/32/719675132.db2.gz WFZAJBJVRCYNPG-DEOSSOPVSA-N 1 0 495.671 4.336 20 0 JIADRO Cc1cc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2s1 ZINC001164682845 719675405 /nfs/dbraw/zinc/67/54/05/719675405.db2.gz PXEFDYOWUARXHL-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO COc1ccc(-c2cc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncn2)cc1 ZINC001164681079 719678371 /nfs/dbraw/zinc/67/83/71/719678371.db2.gz JHRDAKYAJJQATI-QHCPKHFHSA-N 1 0 499.659 4.246 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(COC4CCC4)cn3)CC2)c2ccccc21 ZINC001164686552 719681498 /nfs/dbraw/zinc/68/14/98/719681498.db2.gz OQGIVEAHKHSQKG-QHCPKHFHSA-N 1 0 476.665 4.244 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693653 719759745 /nfs/dbraw/zinc/75/97/45/719759745.db2.gz ZDXFRFCGYLXDII-CJAUYULYSA-N 1 0 482.629 4.097 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1 ZINC001164691338 719779585 /nfs/dbraw/zinc/77/95/85/719779585.db2.gz NJWYZEVHKBUTLD-QHCPKHFHSA-N 1 0 498.693 4.318 20 0 JIADRO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2N1C1CCCC1 ZINC001164692005 719808499 /nfs/dbraw/zinc/80/84/99/719808499.db2.gz FBDFXTOGRDRYTF-QFIPXVFZSA-N 1 0 495.697 4.356 20 0 JIADRO COCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2ccccc2)n1 ZINC001164695279 719887558 /nfs/dbraw/zinc/88/75/58/719887558.db2.gz LBUIUZVZDSXZID-UHFFFAOYSA-N 1 0 450.608 4.223 20 0 JIADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706819 719898221 /nfs/dbraw/zinc/89/82/21/719898221.db2.gz KSPSPJMCUOYILG-UHFFFAOYSA-N 1 0 454.974 4.485 20 0 JIADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705859 719898898 /nfs/dbraw/zinc/89/88/98/719898898.db2.gz DMYBZDYSOAJGCR-UHFFFAOYSA-N 1 0 454.974 4.097 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164711063 720096254 /nfs/dbraw/zinc/09/62/54/720096254.db2.gz NTDIXNOFWYCMPW-HXUWFJFHSA-N 1 0 450.961 4.491 20 0 JIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716274 720109251 /nfs/dbraw/zinc/10/92/51/720109251.db2.gz KBMJRGCVMJJMDI-HXUWFJFHSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812636 720116591 /nfs/dbraw/zinc/11/65/91/720116591.db2.gz PJEXWCCTTDMBGA-KBMIEXCESA-N 1 0 472.992 4.311 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164716942 720126945 /nfs/dbraw/zinc/12/69/45/720126945.db2.gz LZPHWBAFKGVTOW-GOSISDBHSA-N 1 0 488.970 4.126 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164711735 720149194 /nfs/dbraw/zinc/14/91/94/720149194.db2.gz ISSNWDJJTSWEME-QFIPXVFZSA-N 1 0 489.620 4.063 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164710793 720153940 /nfs/dbraw/zinc/15/39/40/720153940.db2.gz CSENXEHRFRCCFZ-OAQYLSRUSA-N 1 0 462.594 4.155 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819751 720169720 /nfs/dbraw/zinc/16/97/20/720169720.db2.gz YBFNEFLDAPBACR-AJTFRIOCSA-N 1 0 483.726 4.479 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816806 720185407 /nfs/dbraw/zinc/18/54/07/720185407.db2.gz MUVCDFUXIKSSFW-PPHZAIPVSA-N 1 0 490.677 4.212 20 0 JIADRO Cn1nnc2c1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714995 720196023 /nfs/dbraw/zinc/19/60/23/720196023.db2.gz IKDOLAUMXHQNBB-SANMLTNESA-N 1 0 468.605 4.247 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CCC2 ZINC001164816655 720244277 /nfs/dbraw/zinc/24/42/77/720244277.db2.gz LEDSUUMOPWORRT-UHFFFAOYSA-N 1 0 479.881 4.106 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828458 720328191 /nfs/dbraw/zinc/32/81/91/720328191.db2.gz JPZSCBIPSDKPCY-OALUTQOASA-N 1 0 477.436 4.462 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164823239 720336155 /nfs/dbraw/zinc/33/61/55/720336155.db2.gz ABHUQCMMKVPNIF-CVEARBPZSA-N 1 0 481.802 4.498 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164829407 720337635 /nfs/dbraw/zinc/33/76/35/720337635.db2.gz SBZWLXCQYSUIBR-XZOQPEGZSA-N 1 0 491.661 4.278 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164825164 720339222 /nfs/dbraw/zinc/33/92/22/720339222.db2.gz ISMDRXNEIFJTSP-FCHUYYIVSA-N 1 0 490.677 4.282 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825953 720339637 /nfs/dbraw/zinc/33/96/37/720339637.db2.gz KASCDWYCCCGUII-DQEYMECFSA-N 1 0 486.664 4.008 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825032 720352213 /nfs/dbraw/zinc/35/22/13/720352213.db2.gz INDGRBRKTOLPAS-LEWJYISDSA-N 1 0 470.017 4.142 20 0 JIADRO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@H]23)cs1 ZINC001164820395 720388412 /nfs/dbraw/zinc/38/84/12/720388412.db2.gz AOAPINLKRIEZRL-WEWMWRJBSA-N 1 0 476.646 4.358 20 0 JIADRO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735120 720440554 /nfs/dbraw/zinc/44/05/54/720440554.db2.gz WEYLMMYGMZDWAI-YADHBBJMSA-N 1 0 474.678 4.414 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)CC[C@@H]21 ZINC001164839062 720520293 /nfs/dbraw/zinc/52/02/93/720520293.db2.gz SJSHTLIYMKBOMH-MMOPVJDHSA-N 1 0 460.960 4.402 20 0 JIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc32)C1 ZINC001164735430 720522696 /nfs/dbraw/zinc/52/26/96/720522696.db2.gz XFKDVMJQSHNWNC-MENVUMQLSA-N 1 0 456.638 4.492 20 0 JIADRO COc1ccc2nc(C(F)(F)N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)nc(Cl)c2c1 ZINC001164736448 720546318 /nfs/dbraw/zinc/54/63/18/720546318.db2.gz YIRJFGNJCFKHEK-CQSZACIVSA-N 1 0 454.949 4.353 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]21 ZINC001164840683 720549293 /nfs/dbraw/zinc/54/92/93/720549293.db2.gz SONAVGFTIOMEST-FSSWDIPSSA-N 1 0 467.017 4.283 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842947 720561996 /nfs/dbraw/zinc/56/19/96/720561996.db2.gz ZBUWLQWOXVBLPZ-CMKODMSKSA-N 1 0 460.022 4.265 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164841314 720597191 /nfs/dbraw/zinc/59/71/91/720597191.db2.gz RVEFYQVHVLBKIL-AABGKKOBSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836776 720615628 /nfs/dbraw/zinc/61/56/28/720615628.db2.gz GVQDVDRWGSAQDP-DSNGMDLFSA-N 1 0 459.594 4.013 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840788 720624565 /nfs/dbraw/zinc/62/45/65/720624565.db2.gz QSCMONRRJKLBMR-QHAWAJNXSA-N 1 0 475.622 4.434 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838774 720631962 /nfs/dbraw/zinc/63/19/62/720631962.db2.gz LSDVJKLHMQDYHG-XQBPLPMBSA-N 1 0 459.623 4.328 20 0 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JIADRO CN(C)c1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164837697 720724873 /nfs/dbraw/zinc/72/48/73/720724873.db2.gz GVAUYQLZNXMOJB-GOSISDBHSA-N 1 0 465.976 4.001 20 0 JIADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744994 720825975 /nfs/dbraw/zinc/82/59/75/720825975.db2.gz VUDNIXYFEKQEQS-KKUQBAQOSA-N 1 0 492.631 4.177 20 0 JIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747521 720840288 /nfs/dbraw/zinc/84/02/88/720840288.db2.gz RBFLOOAVSNRZBG-NJNPRVFISA-N 1 0 472.971 4.404 20 0 JIADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745258 720847633 /nfs/dbraw/zinc/84/76/33/720847633.db2.gz NBZMFKSTKZZRPB-RZPFDVGOSA-N 1 0 483.595 4.407 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741309 720848908 /nfs/dbraw/zinc/84/89/08/720848908.db2.gz DXFVRIXWGAPAMB-UNWVZKJWSA-N 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CCOc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758761 720887833 /nfs/dbraw/zinc/88/78/33/720887833.db2.gz ZBWUJRKUTRQDMS-SQJMNOBHSA-N 1 0 457.018 4.284 20 0 JIADRO CCc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164755414 720888046 /nfs/dbraw/zinc/88/80/46/720888046.db2.gz LYLWPHDRHSVMSF-RLWLMLJZSA-N 1 0 463.651 4.404 20 0 JIADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755666 720889518 /nfs/dbraw/zinc/88/95/18/720889518.db2.gz MKRXWGDRDLYJOV-QDSKXPNFSA-N 1 0 460.981 4.013 20 0 JIADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164756570 720894104 /nfs/dbraw/zinc/89/41/04/720894104.db2.gz QIVXOTZKYNZNKO-SKCUWOTOSA-N 1 0 468.605 4.261 20 0 JIADRO c1ccc(COc2cnnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164758469 720894974 /nfs/dbraw/zinc/89/49/74/720894974.db2.gz YISHVVZCINPZGW-UHSQPCAPSA-N 1 0 485.632 4.206 20 0 JIADRO Clc1ccnc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164757810 720895101 /nfs/dbraw/zinc/89/51/01/720895101.db2.gz VQWXCCMHQIPGHW-RLWLMLJZSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1cc2cc[nH]c2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758208 720895762 /nfs/dbraw/zinc/89/57/62/720895762.db2.gz XTBDJBQYJAFLNV-OFVILXPXSA-N 1 0 452.002 4.318 20 0 JIADRO COc1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1OC ZINC001164757829 720896124 /nfs/dbraw/zinc/89/61/24/720896124.db2.gz VUEJIVALBAQHBB-FUFSCUOVSA-N 1 0 488.632 4.402 20 0 JIADRO COc1cccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164750557 720898625 /nfs/dbraw/zinc/89/86/25/720898625.db2.gz BIXLHAGTTYWHPF-VAVYLYDRSA-N 1 0 485.632 4.302 20 0 JIADRO CN(C)c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753987 720901214 /nfs/dbraw/zinc/90/12/14/720901214.db2.gz IBLCTOLUHGCRJF-PDDLMNHVSA-N 1 0 498.675 4.360 20 0 JIADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755974 720901374 /nfs/dbraw/zinc/90/13/74/720901374.db2.gz NWIDSJVJBWOUBI-RLWLMLJZSA-N 1 0 485.028 4.062 20 0 JIADRO c1ccc2c(c1)CCc1cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc1-2 ZINC001164754403 720901862 /nfs/dbraw/zinc/90/18/62/720901862.db2.gz ITZZEKQSYKIDNI-VIZCGCQYSA-N 1 0 481.644 4.392 20 0 JIADRO CC(C)n1ccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754383 720903572 /nfs/dbraw/zinc/90/35/72/720903572.db2.gz ITNAJAFKVVMDBF-HOFKKMOUSA-N 1 0 460.626 4.162 20 0 JIADRO CCCSc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747097 720919828 /nfs/dbraw/zinc/91/98/28/720919828.db2.gz BWDHSKVESSYOIA-RDGATRHJSA-N 1 0 453.656 4.129 20 0 JIADRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)o1 ZINC001164752230 720921730 /nfs/dbraw/zinc/92/17/30/720921730.db2.gz NPGAGXLNFKPWPX-YIXXDRMTSA-N 1 0 459.594 4.195 20 0 JIADRO CC(C)c1noc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)n1 ZINC001164750837 720923382 /nfs/dbraw/zinc/92/33/82/720923382.db2.gz KXPJEEXWHIOQIG-CUBQBAPOSA-N 1 0 488.636 4.405 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750185 720932493 /nfs/dbraw/zinc/93/24/93/720932493.db2.gz JQXDTBNTQHGSEC-SKCUWOTOSA-N 1 0 457.622 4.202 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746486 720935303 /nfs/dbraw/zinc/93/53/03/720935303.db2.gz AYQPWWIOJCEZNO-DVECYGJZSA-N 1 0 476.452 4.496 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)[C@H]2C ZINC001164860506 720937435 /nfs/dbraw/zinc/93/74/35/720937435.db2.gz QGCYOLKILFRNKE-SFHVURJKSA-N 1 0 467.017 4.283 20 0 JIADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164748026 720937962 /nfs/dbraw/zinc/93/79/62/720937962.db2.gz FGCOTOFFSVFWOK-KMRXNPHXSA-N 1 0 486.595 4.400 20 0 JIADRO COc1cc(C)c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755073 720940136 /nfs/dbraw/zinc/94/01/36/720940136.db2.gz YDHKPHZTNMNZRX-NEKDWFFYSA-N 1 0 473.621 4.097 20 0 JIADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)CC2 ZINC001164753644 720967924 /nfs/dbraw/zinc/96/79/24/720967924.db2.gz GUQFFWULKJOZBV-UHFFFAOYSA-N 1 0 474.609 4.033 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856412 721001492 /nfs/dbraw/zinc/00/14/92/721001492.db2.gz CDPOGJJNCVUVML-OAHLLOKOSA-N 1 0 456.616 4.103 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)ncc4N4CCOCC4)CC3)CC2)cc1 ZINC001164758641 721043900 /nfs/dbraw/zinc/04/39/00/721043900.db2.gz ACFXBWGIDOJGGC-UHFFFAOYSA-N 1 0 456.034 4.158 20 0 JIADRO Clc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1Cl ZINC001164866056 721068136 /nfs/dbraw/zinc/06/81/36/721068136.db2.gz CCYRNMZRNMZBLU-LSDHHAIUSA-N 1 0 464.784 4.465 20 0 JIADRO 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CCC[N@@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164877660 721330641 /nfs/dbraw/zinc/33/06/41/721330641.db2.gz WCZFHCKAGCCPBE-YADHBBJMSA-N 1 0 459.598 4.334 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4cccc(C)c43)C2)C1 ZINC001164776819 721348409 /nfs/dbraw/zinc/34/84/09/721348409.db2.gz DCGDNCZXSMUHRH-DEOSSOPVSA-N 1 0 455.990 4.315 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164784109 721367217 /nfs/dbraw/zinc/36/72/17/721367217.db2.gz QLEJHTZHBBWDKT-MHZLTWQESA-N 1 0 488.592 4.317 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)C2)C1 ZINC001164787092 721372348 /nfs/dbraw/zinc/37/23/48/721372348.db2.gz YWZPWKCFKOIUCV-VWLOTQADSA-N 1 0 483.016 4.224 20 0 JIADRO CSc1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164780127 721374734 /nfs/dbraw/zinc/37/47/34/721374734.db2.gz DSXQZPXWDNCWPY-XMMPIXPASA-N 1 0 453.612 4.076 20 0 JIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780184 721376960 /nfs/dbraw/zinc/37/69/60/721376960.db2.gz FHTKZRPBTSBVET-SSOJOUAXSA-N 1 0 452.603 4.195 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890539 721398634 /nfs/dbraw/zinc/39/86/34/721398634.db2.gz NZNFYJOOPUIXAF-BFUOFWGJSA-N 1 0 468.256 4.461 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891335 721422676 /nfs/dbraw/zinc/42/26/76/721422676.db2.gz VKFFSZVVOCWWDD-MZNJEOGPSA-N 1 0 479.452 4.316 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164889591 721434584 /nfs/dbraw/zinc/43/45/84/721434584.db2.gz CCRCLFXPJOWIML-QDPGVEIFSA-N 1 0 475.612 4.201 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164894910 721435132 /nfs/dbraw/zinc/43/51/32/721435132.db2.gz NEZQGYSTHSUCND-CUNXSJBXSA-N 1 0 492.693 4.136 20 0 JIADRO 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JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1OC ZINC001165018862 721828472 /nfs/dbraw/zinc/82/84/72/721828472.db2.gz AMGPKPVPRLXHTL-KWOQKUFVSA-N 1 0 489.620 4.301 20 0 JIADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CC[NH+](C5CCCC5)CC4)nn3)cc-2n1 ZINC001165030397 721853623 /nfs/dbraw/zinc/85/36/23/721853623.db2.gz VQGFWKNELBSETH-UHFFFAOYSA-N 1 0 457.557 4.092 20 0 JIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164936982 721913812 /nfs/dbraw/zinc/91/38/12/721913812.db2.gz DIHZCRSUSDSRJN-KDURUIRLSA-N 1 0 495.718 4.317 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1)C1CC1 ZINC001164940707 721930725 /nfs/dbraw/zinc/93/07/25/721930725.db2.gz XYUFTECASNEHAL-RUZDIDTESA-N 1 0 463.622 4.318 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC3)C2)cc1 ZINC001164940209 721932746 /nfs/dbraw/zinc/93/27/46/721932746.db2.gz RYUYXGIHAAFUQA-UHFFFAOYSA-N 1 0 499.659 4.160 20 0 JIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1 ZINC001165041092 721935170 /nfs/dbraw/zinc/93/51/70/721935170.db2.gz HCGNGNPEUZGMCU-UHFFFAOYSA-N 1 0 473.351 4.463 20 0 JIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164954002 722007239 /nfs/dbraw/zinc/00/72/39/722007239.db2.gz UOAKARUEYYSGMI-QHCPKHFHSA-N 1 0 463.651 4.209 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056112 722016980 /nfs/dbraw/zinc/01/69/80/722016980.db2.gz WKKQKOFTXRRMIR-UHFFFAOYSA-N 1 0 450.656 4.054 20 0 JIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165055605 722018652 /nfs/dbraw/zinc/01/86/52/722018652.db2.gz RBDOILYGOXUGRC-UHFFFAOYSA-N 1 0 458.635 4.180 20 0 JIADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164960905 722030278 /nfs/dbraw/zinc/03/02/78/722030278.db2.gz UYMPBCQTFJEDAV-ZCNNSNEGSA-N 1 0 480.918 4.006 20 0 JIADRO Fc1ccc(COc2cccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164963391 722060412 /nfs/dbraw/zinc/06/04/12/722060412.db2.gz YEWBOZRZOICOSC-UHFFFAOYSA-N 1 0 462.569 4.314 20 0 JIADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962866 722062248 /nfs/dbraw/zinc/06/22/48/722062248.db2.gz AKBUBSSOPOIQCG-UHFFFAOYSA-N 1 0 462.972 4.283 20 0 JIADRO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963695 722062510 /nfs/dbraw/zinc/06/25/10/722062510.db2.gz CBRVQVXRGUDWNE-UHFFFAOYSA-N 1 0 452.986 4.411 20 0 JIADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164965953 722066233 /nfs/dbraw/zinc/06/62/33/722066233.db2.gz SQPLHAQQFWZVQA-UHFFFAOYSA-N 1 0 475.662 4.087 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164971286 722090805 /nfs/dbraw/zinc/09/08/05/722090805.db2.gz BAIVPGPDOQPGIC-AKIFATBCSA-N 1 0 454.640 4.018 20 0 JIADRO c1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164975116 722111273 /nfs/dbraw/zinc/11/12/73/722111273.db2.gz JSMQHQUQMONWQW-JYFHCDHNSA-N 1 0 451.574 4.419 20 0 JIADRO CSc1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164981777 722135024 /nfs/dbraw/zinc/13/50/24/722135024.db2.gz QKNAOCYVMZTWHK-OFNKIYASSA-N 1 0 463.607 4.113 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164982127 722139762 /nfs/dbraw/zinc/13/97/62/722139762.db2.gz RDVNQZCMWKLGCE-XUZZJYLKSA-N 1 0 487.629 4.489 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978109 722141255 /nfs/dbraw/zinc/14/12/55/722141255.db2.gz JZEKXAQUBNXEOT-XZOQPEGZSA-N 1 0 486.645 4.492 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164978107 722141562 /nfs/dbraw/zinc/14/15/62/722141562.db2.gz JZEKXAQUBNXEOT-PKTZIBPZSA-N 1 0 486.645 4.492 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983773 722142911 /nfs/dbraw/zinc/14/29/11/722142911.db2.gz UUMFZCKIEFYKJW-OFNKIYASSA-N 1 0 485.966 4.464 20 0 JIADRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972215 722152502 /nfs/dbraw/zinc/15/25/02/722152502.db2.gz GYDLATTYHWQSPO-ZEQKJWHPSA-N 1 0 478.040 4.460 20 0 JIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973138 722156456 /nfs/dbraw/zinc/15/64/56/722156456.db2.gz LJQKAAXIUOOMBQ-CVDCTZTESA-N 1 0 481.984 4.053 20 0 JIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198370 /nfs/dbraw/zinc/19/83/70/722198370.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 1 0 457.597 4.419 20 0 JIADRO Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(Cl)nn2)cc1 ZINC001165004947 722258210 /nfs/dbraw/zinc/25/82/10/722258210.db2.gz YJQXDXWRUWXAGO-UHFFFAOYSA-N 1 0 490.986 4.335 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001300646226 1069319632 /nfs/dbraw/zinc/31/96/32/1069319632.db2.gz GHKLEFXHNFNWAJ-RTWAWAEBSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300646183 1069319651 /nfs/dbraw/zinc/31/96/51/1069319651.db2.gz FLXUUHLOXXABIS-AJTFRIOCSA-N 1 0 485.673 4.382 20 0 JIADRO CC(=O)Nc1ccc(F)c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001354545052 1069319998 /nfs/dbraw/zinc/31/99/98/1069319998.db2.gz HAXMAMOPKXXUQG-SFHVURJKSA-N 1 0 451.464 4.311 20 0 JIADRO CP(C)(=O)c1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001354546126 1069321075 /nfs/dbraw/zinc/32/10/75/1069321075.db2.gz VOMDJHALXCHZKV-IBGZPJMESA-N 1 0 452.457 4.461 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H]1C ZINC001492592908 1069323913 /nfs/dbraw/zinc/32/39/13/1069323913.db2.gz WUSPJRQPMQTEAQ-FYYLOGMGSA-N 1 0 498.672 4.016 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001300651474 1069335821 /nfs/dbraw/zinc/33/58/21/1069335821.db2.gz BGKNGILGVCQLQZ-YKSBVNFPSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccs1 ZINC001300652054 1069338960 /nfs/dbraw/zinc/33/89/60/1069338960.db2.gz JWOHZNALCGGAOM-UHFFFAOYSA-N 1 0 455.628 4.286 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001300652291 1069339715 /nfs/dbraw/zinc/33/97/15/1069339715.db2.gz PONJEVDJDIDDIQ-SQJMNOBHSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300659893 1069366064 /nfs/dbraw/zinc/36/60/64/1069366064.db2.gz IVKBFOOKBUFCEG-AQNXPRMDSA-N 1 0 461.676 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300659609 1069364933 /nfs/dbraw/zinc/36/49/33/1069364933.db2.gz ZVVDUDAIHHLYIK-BHIFYINESA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300660220 1069367174 /nfs/dbraw/zinc/36/71/74/1069367174.db2.gz KKXCDBNEECWUNA-NJYVYQBISA-N 1 0 459.610 4.172 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300660829 1069370366 /nfs/dbraw/zinc/37/03/66/1069370366.db2.gz JTFBHYDWJXFYCJ-NHCUHLMSSA-N 1 0 487.689 4.278 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300659830 1069366153 /nfs/dbraw/zinc/36/61/53/1069366153.db2.gz HHDATGRGCVMMGP-QZTJIDSGSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC(C)(C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300661392 1069372745 /nfs/dbraw/zinc/37/27/45/1069372745.db2.gz SSGMKBDKTYWQCZ-UXHICEINSA-N 1 0 473.687 4.318 20 0 JIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 ZINC001354614228 1069404639 /nfs/dbraw/zinc/40/46/39/1069404639.db2.gz NDXJNQGPMFCFQY-CSKARUKUSA-N 1 0 455.555 4.037 20 0 JIADRO COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001354616515 1069406135 /nfs/dbraw/zinc/40/61/35/1069406135.db2.gz XLAHFYLQFCZGNV-STZQEDGTSA-N 1 0 465.619 4.123 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359348139 1069422639 /nfs/dbraw/zinc/42/26/39/1069422639.db2.gz AMOYPWVJKQCZHI-OQKWZONESA-N 1 0 478.710 4.496 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001300676636 1069425671 /nfs/dbraw/zinc/42/56/71/1069425671.db2.gz HPZQMDNYZDNTFW-RTWAWAEBSA-N 1 0 473.687 4.051 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001359349140 1069425768 /nfs/dbraw/zinc/42/57/68/1069425768.db2.gz RHUCAOWRDDTVPH-HMMYKYKNSA-N 1 0 480.682 4.284 20 0 JIADRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(I)c(Br)cc2F)C1(C)C ZINC001200732875 1069427891 /nfs/dbraw/zinc/42/78/91/1069427891.db2.gz DBJUPTFRKFQCBV-DZGCQCFKSA-N 1 0 456.137 4.486 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001359350581 1069429869 /nfs/dbraw/zinc/42/98/69/1069429869.db2.gz IXYHLRJVLBIPQB-RBUKOAKNSA-N 1 0 489.064 4.003 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359354013 1069437647 /nfs/dbraw/zinc/43/76/47/1069437647.db2.gz WHPBSWCNVXPROO-KMRXNPHXSA-N 1 0 480.701 4.135 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359354396 1069439073 /nfs/dbraw/zinc/43/90/73/1069439073.db2.gz MCDSQYKOUUXZMT-QHCPKHFHSA-N 1 0 480.701 4.021 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 ZINC001354646088 1069447001 /nfs/dbraw/zinc/44/70/01/1069447001.db2.gz MHPJKQFSNABMLJ-GMAHTHKFSA-N 1 0 455.599 4.460 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCCCC2)C1 ZINC001359357250 1069447239 /nfs/dbraw/zinc/44/72/39/1069447239.db2.gz BMLPUUHFDRTMMN-LJQANCHMSA-N 1 0 493.483 4.433 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359363453 1069456427 /nfs/dbraw/zinc/45/64/27/1069456427.db2.gz SDHBZJFMHOYYCN-HSZRJFAPSA-N 1 0 498.741 4.448 20 0 JIADRO CC(=O)N1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359378169 1069482853 /nfs/dbraw/zinc/48/28/53/1069482853.db2.gz DNYULCDYQIRIAG-XMMPIXPASA-N 1 0 498.716 4.190 20 0 JIADRO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359378991 1069484460 /nfs/dbraw/zinc/48/44/60/1069484460.db2.gz HBZLEAOJQQILHY-UHFFFAOYSA-N 1 0 493.121 4.401 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001359383170 1069487630 /nfs/dbraw/zinc/48/76/30/1069487630.db2.gz VBZRCKBGCLKONT-MOPGFXCFSA-N 1 0 489.064 4.003 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359386528 1069495260 /nfs/dbraw/zinc/49/52/60/1069495260.db2.gz GSSNUOFVLFOAFF-HSZRJFAPSA-N 1 0 496.700 4.303 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001359387459 1069496822 /nfs/dbraw/zinc/49/68/22/1069496822.db2.gz HBYRLIFGQATEFG-QHAWAJNXSA-N 1 0 487.092 4.414 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC12CCCCC2 ZINC001359391819 1069497427 /nfs/dbraw/zinc/49/74/27/1069497427.db2.gz CRQSFVCJQTVUGX-XMMPIXPASA-N 1 0 484.664 4.290 20 0 JIADRO CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001359408823 1069521559 /nfs/dbraw/zinc/52/15/59/1069521559.db2.gz AUUOPQQDMUHXJO-DNQXCXABSA-N 1 0 482.673 4.124 20 0 JIADRO CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001359409652 1069523177 /nfs/dbraw/zinc/52/31/77/1069523177.db2.gz CPRKRKFSKFRGNP-JOCHJYFZSA-N 1 0 452.647 4.186 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359416992 1069542600 /nfs/dbraw/zinc/54/26/00/1069542600.db2.gz ONHCRSYEUHZKSN-VWNXMTODSA-N 1 0 484.689 4.259 20 0 JIADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359427365 1069553491 /nfs/dbraw/zinc/55/34/91/1069553491.db2.gz RNOGRITYEUETNU-UHFFFAOYSA-N 1 0 466.674 4.117 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359433431 1069560390 /nfs/dbraw/zinc/56/03/90/1069560390.db2.gz ILJRNPNUUOWKLQ-OAQYLSRUSA-N 1 0 475.081 4.460 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359436494 1069564483 /nfs/dbraw/zinc/56/44/83/1069564483.db2.gz OYIUURKCXGSAAL-OFNKIYASSA-N 1 0 487.092 4.139 20 0 JIADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359440849 1069572372 /nfs/dbraw/zinc/57/23/72/1069572372.db2.gz NQIHZNLQVNJQRX-UHFFFAOYSA-N 1 0 481.472 4.192 20 0 JIADRO CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359456950 1069582323 /nfs/dbraw/zinc/58/23/23/1069582323.db2.gz RULWYPMJJLTFKC-HXUWFJFHSA-N 1 0 470.637 4.091 20 0 JIADRO CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359456029 1069581630 /nfs/dbraw/zinc/58/16/30/1069581630.db2.gz LBDGGQDOVVWZGM-OAQYLSRUSA-N 1 0 473.065 4.217 20 0 JIADRO C[C@H]([C@H](C)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC001359486158 1069664108 /nfs/dbraw/zinc/66/41/08/1069664108.db2.gz VUEGYZJCJMCIFG-LEWJYISDSA-N 1 0 489.730 4.037 20 0 JIADRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359490622 1069696501 /nfs/dbraw/zinc/69/65/01/1069696501.db2.gz XSVAPOPKPWKAKG-XZOQPEGZSA-N 1 0 488.721 4.307 20 0 JIADRO CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001359495739 1069728307 /nfs/dbraw/zinc/72/83/07/1069728307.db2.gz XLLRKEBFGZASMA-VWLOTQADSA-N 1 0 476.065 4.087 20 0 JIADRO CC(C)(C)c1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCOC(F)F)cc1 ZINC001359497257 1069737069 /nfs/dbraw/zinc/73/70/69/1069737069.db2.gz LVNUEQWIPOIEQI-OAQYLSRUSA-N 1 0 477.600 4.173 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359503447 1069770830 /nfs/dbraw/zinc/77/08/30/1069770830.db2.gz QVXFYNXKJJWLCN-FQEVSTJZSA-N 1 0 498.638 4.268 20 0 JIADRO CC(C)(C)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1CCCOC(F)(F)F ZINC001359518778 1069805680 /nfs/dbraw/zinc/80/56/80/1069805680.db2.gz NXJYPLQYLYCIIC-KDURUIRLSA-N 1 0 451.537 4.070 20 0 JIADRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001359521642 1069809095 /nfs/dbraw/zinc/80/90/95/1069809095.db2.gz BUZKBDSGNGUGRW-VXKWHMMOSA-N 1 0 476.065 4.087 20 0 JIADRO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001359521929 1069809437 /nfs/dbraw/zinc/80/94/37/1069809437.db2.gz INKBDXKSVXAFEU-TZIWHRDSSA-N 1 0 476.065 4.230 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001359522499 1069810750 /nfs/dbraw/zinc/81/07/50/1069810750.db2.gz VCJRFYYHFPANRL-YPAWHYETSA-N 1 0 461.695 4.182 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359529346 1069819464 /nfs/dbraw/zinc/81/94/64/1069819464.db2.gz QFTKLTCBZSVGDL-UHFFFAOYSA-N 1 0 475.722 4.399 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCN1CCOC(C)(C)C1 ZINC001359535222 1069828564 /nfs/dbraw/zinc/82/85/64/1069828564.db2.gz MTYNIEADNJZICI-HSZRJFAPSA-N 1 0 474.738 4.070 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccsc1Br ZINC001359537876 1069833031 /nfs/dbraw/zinc/83/30/31/1069833031.db2.gz UGNLQEXXISPZNG-QGZVFWFLSA-N 1 0 496.519 4.288 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359539454 1069836451 /nfs/dbraw/zinc/83/64/51/1069836451.db2.gz ILMBJBMMYRAIRG-HKUYNNGSSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001359539420 1069836495 /nfs/dbraw/zinc/83/64/95/1069836495.db2.gz GSQGGCGYXTTWPO-UHFFFAOYSA-N 1 0 450.002 4.009 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CC[N@H+]1CC=CCC1 ZINC001359539380 1069836512 /nfs/dbraw/zinc/83/65/12/1069836512.db2.gz FGQRFWPQDOVDDG-UHFFFAOYSA-N 1 0 478.472 4.157 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCN1CCCCCC1=O ZINC001359539650 1069836707 /nfs/dbraw/zinc/83/67/07/1069836707.db2.gz QJUITTQTPYFTII-UHFFFAOYSA-N 1 0 458.695 4.114 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359539781 1069836731 /nfs/dbraw/zinc/83/67/31/1069836731.db2.gz VJMYMNJEIMOCPY-UHFFFAOYSA-N 1 0 450.002 4.413 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001359540189 1069837569 /nfs/dbraw/zinc/83/75/69/1069837569.db2.gz MBGLHAWJADSDMM-PXDATVDWSA-N 1 0 457.688 4.008 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300793801 1069844314 /nfs/dbraw/zinc/84/43/14/1069844314.db2.gz BJMLJNLGTWKDBR-XQBPLPMBSA-N 1 0 459.610 4.150 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCC2)CC[C@H]1C ZINC001300794139 1069844597 /nfs/dbraw/zinc/84/45/97/1069844597.db2.gz IHBKKLGIXYKZDI-XLIONFOSSA-N 1 0 462.436 4.055 20 0 JIADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCSC(F)(F)F)CC1 ZINC001492595486 1069846277 /nfs/dbraw/zinc/84/62/77/1069846277.db2.gz AYKRRVNYUFYVAO-IBGZPJMESA-N 1 0 469.577 4.056 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccccc2Cl)CC1 ZINC001359547138 1069851974 /nfs/dbraw/zinc/85/19/74/1069851974.db2.gz COXBSUUDGOTTPS-IBGZPJMESA-N 1 0 462.038 4.073 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001359546596 1069850715 /nfs/dbraw/zinc/85/07/15/1069850715.db2.gz KNHOECFQEOUPAR-UHFFFAOYSA-N 1 0 495.638 4.496 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001359546547 1069850788 /nfs/dbraw/zinc/85/07/88/1069850788.db2.gz IZIYFYPNRZFDQG-HXUWFJFHSA-N 1 0 460.667 4.113 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCS2)CC1 ZINC001359547652 1069853367 /nfs/dbraw/zinc/85/33/67/1069853367.db2.gz XSBOLABKQJTOBN-JOCHJYFZSA-N 1 0 457.688 4.353 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cccs2)CC1 ZINC001359547640 1069853464 /nfs/dbraw/zinc/85/34/64/1069853464.db2.gz XCZPYHREMAPTKN-UHFFFAOYSA-N 1 0 487.073 4.282 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)CC1 ZINC001359547612 1069853554 /nfs/dbraw/zinc/85/35/54/1069853554.db2.gz WMDWPLBHQGJDRZ-NRFANRHFSA-N 1 0 462.038 4.248 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCC2CCOCC2)CC1 ZINC001359547639 1069853569 /nfs/dbraw/zinc/85/35/69/1069853569.db2.gz XBCNOWCORITLET-UHFFFAOYSA-N 1 0 454.663 4.029 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccs2)CC1 ZINC001359548041 1069854258 /nfs/dbraw/zinc/85/42/58/1069854258.db2.gz LWTCEDUVVLTDTK-UHFFFAOYSA-N 1 0 478.464 4.046 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001359548613 1069855629 /nfs/dbraw/zinc/85/56/29/1069855629.db2.gz JHEVABVEBJXESW-UHFFFAOYSA-N 1 0 477.572 4.158 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001359548925 1069856509 /nfs/dbraw/zinc/85/65/09/1069856509.db2.gz WCDJYUHCJDUFBI-UNMCSNQZSA-N 1 0 460.066 4.384 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCCC2)CC1 ZINC001359549365 1069857654 /nfs/dbraw/zinc/85/76/54/1069857654.db2.gz MXOQDALOSABONG-UHFFFAOYSA-N 1 0 473.065 4.312 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNc2ccccn2)CC1 ZINC001359549923 1069858064 /nfs/dbraw/zinc/85/80/64/1069858064.db2.gz HLMRUSUNAXENIQ-UHFFFAOYSA-N 1 0 484.048 4.328 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001359549953 1069858102 /nfs/dbraw/zinc/85/81/02/1069858102.db2.gz JJLMEAWKIGOQFH-UHFFFAOYSA-N 1 0 482.551 4.452 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CC=CCO1 ZINC001359558845 1069879492 /nfs/dbraw/zinc/87/94/92/1069879492.db2.gz UOLYMTBZXVBWOK-SFTDATJTSA-N 1 0 488.677 4.006 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(F)cc1 ZINC001359559277 1069880857 /nfs/dbraw/zinc/88/08/57/1069880857.db2.gz KQPXEAFETMPPCV-NRFANRHFSA-N 1 0 486.636 4.458 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359574097 1069959461 /nfs/dbraw/zinc/95/94/61/1069959461.db2.gz NUIPORGRHVDRFG-FGZHOGPDSA-N 1 0 490.693 4.137 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(F)cc2)C1 ZINC001359578005 1069988457 /nfs/dbraw/zinc/98/84/57/1069988457.db2.gz QLLRYONMYODJSK-TYKWCNGQSA-N 1 0 486.636 4.157 20 0 JIADRO CC(C)(C)OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359583256 1070009435 /nfs/dbraw/zinc/00/94/35/1070009435.db2.gz KMNZRYOTZPJUDL-QGZVFWFLSA-N 1 0 479.467 4.163 20 0 JIADRO CC(C)(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359586159 1070017123 /nfs/dbraw/zinc/01/71/23/1070017123.db2.gz BMCOOHNOXPSEKY-DHIUTWEWSA-N 1 0 491.721 4.093 20 0 JIADRO CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359586426 1070017811 /nfs/dbraw/zinc/01/78/11/1070017811.db2.gz LUTAUXNVEUAXFT-SFHVURJKSA-N 1 0 498.068 4.016 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCCOC(F)F ZINC001359592289 1070033569 /nfs/dbraw/zinc/03/35/69/1070033569.db2.gz ANWGBOHIAULEOK-WOJBJXKFSA-N 1 0 469.621 4.281 20 0 JIADRO CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(F)(F)F ZINC001359596512 1070048252 /nfs/dbraw/zinc/04/82/52/1070048252.db2.gz MJVKTWRZRMNIKF-HNNXBMFYSA-N 1 0 457.491 4.410 20 0 JIADRO CC(C)=CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359606062 1070066587 /nfs/dbraw/zinc/06/65/87/1070066587.db2.gz ANHZTQLLYCVLGW-GOSISDBHSA-N 1 0 491.478 4.092 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@@H+](C)C(C)C)C1 ZINC001359620486 1070094032 /nfs/dbraw/zinc/09/40/32/1070094032.db2.gz RWGCSQFYHFSQMH-OAQYLSRUSA-N 1 0 486.730 4.357 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001359620217 1070092796 /nfs/dbraw/zinc/09/27/96/1070092796.db2.gz NFPKWACLBOCGSK-LEWJYISDSA-N 1 0 466.655 4.051 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001359623063 1070101498 /nfs/dbraw/zinc/10/14/98/1070101498.db2.gz NZEDCCVVQREGFU-DEOSSOPVSA-N 1 0 484.664 4.023 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359627001 1070124626 /nfs/dbraw/zinc/12/46/26/1070124626.db2.gz AQNCCCCKBGQFKK-HXUWFJFHSA-N 1 0 475.081 4.317 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359627285 1070126737 /nfs/dbraw/zinc/12/67/37/1070126737.db2.gz GMMYWHCSQDNHNU-OAQYLSRUSA-N 1 0 484.664 4.337 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359630743 1070147017 /nfs/dbraw/zinc/14/70/17/1070147017.db2.gz DRISBDZMLDCKOA-QFIPXVFZSA-N 1 0 484.664 4.339 20 0 JIADRO CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359632170 1070151644 /nfs/dbraw/zinc/15/16/44/1070151644.db2.gz AAEOKVBVCFHCTA-DEOSSOPVSA-N 1 0 498.691 4.263 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001359635077 1070162054 /nfs/dbraw/zinc/16/20/54/1070162054.db2.gz OKTHMCJALCNYJI-UHFFFAOYSA-N 1 0 479.044 4.211 20 0 JIADRO CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359641576 1070177352 /nfs/dbraw/zinc/17/73/52/1070177352.db2.gz QOPRZDMBBFSSJG-ZJSXRUAMSA-N 1 0 466.674 4.197 20 0 JIADRO Cc1c(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)cnn1CC(C)C ZINC001492596151 1070180303 /nfs/dbraw/zinc/18/03/03/1070180303.db2.gz OFHQWPPFQXEFJN-UHFFFAOYSA-N 1 0 463.674 4.316 20 0 JIADRO CC(C)C(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359644763 1070188775 /nfs/dbraw/zinc/18/87/75/1070188775.db2.gz YRPHCDBUFZLADR-NZQKXSOJSA-N 1 0 464.662 4.275 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001359655005 1070222907 /nfs/dbraw/zinc/22/29/07/1070222907.db2.gz NGEVGZCTQCJMTK-HXUWFJFHSA-N 1 0 460.711 4.217 20 0 JIADRO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359655293 1070225791 /nfs/dbraw/zinc/22/57/91/1070225791.db2.gz SUITUPFOKQQDKD-QHCPKHFHSA-N 1 0 484.472 4.491 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359656477 1070235968 /nfs/dbraw/zinc/23/59/68/1070235968.db2.gz QFMZYEUQCRRRHD-UXHICEINSA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359657935 1070250863 /nfs/dbraw/zinc/25/08/63/1070250863.db2.gz QMIUVFDVDDVYGY-OAQYLSRUSA-N 1 0 498.691 4.260 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1)[NH+]1CCOCC1 ZINC001359658837 1070260754 /nfs/dbraw/zinc/26/07/54/1070260754.db2.gz JRNWBVKAKZSUFX-HXUWFJFHSA-N 1 0 480.426 4.050 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001359658915 1070261574 /nfs/dbraw/zinc/26/15/74/1070261574.db2.gz LMKZGKAZSRMRNV-WFXMLNOXSA-N 1 0 464.079 4.286 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001359659048 1070262410 /nfs/dbraw/zinc/26/24/10/1070262410.db2.gz OLYWLHPPUBQDKU-NRFANRHFSA-N 1 0 476.065 4.349 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001359659216 1070264101 /nfs/dbraw/zinc/26/41/01/1070264101.db2.gz SCSFQBUNTIMQKI-HSZRJFAPSA-N 1 0 489.730 4.234 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359659797 1070269149 /nfs/dbraw/zinc/26/91/49/1070269149.db2.gz DSZXMAWZBPZAFV-JTHBVZDNSA-N 1 0 497.688 4.296 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359660072 1070269859 /nfs/dbraw/zinc/26/98/59/1070269859.db2.gz JIWFLYXNFUZBEB-FUDKSRODSA-N 1 0 497.688 4.200 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C)[NH+]1CCOCC1 ZINC001359660219 1070271119 /nfs/dbraw/zinc/27/11/19/1070271119.db2.gz LSTUXRWMZWGOJT-XMMPIXPASA-N 1 0 466.605 4.251 20 0 JIADRO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001359664187 1070290939 /nfs/dbraw/zinc/29/09/39/1070290939.db2.gz AQWZZCUQBKNBKL-XZOQPEGZSA-N 1 0 454.663 4.168 20 0 JIADRO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359665184 1070294658 /nfs/dbraw/zinc/29/46/58/1070294658.db2.gz URDITCQTJBNDLU-NRFANRHFSA-N 1 0 474.694 4.235 20 0 JIADRO CC(C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001359665537 1070297472 /nfs/dbraw/zinc/29/74/72/1070297472.db2.gz BJFVCVKZZHRCMC-NQIIRXRSSA-N 1 0 491.105 4.011 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359678367 1070333543 /nfs/dbraw/zinc/33/35/43/1070333543.db2.gz DGTXZBVUVHHYFR-HXUWFJFHSA-N 1 0 469.431 4.318 20 0 JIADRO CC(C)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359676352 1070330975 /nfs/dbraw/zinc/33/09/75/1070330975.db2.gz GYAZDKBUKHCUAH-JTMIDMFHSA-N 1 0 487.714 4.371 20 0 JIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359679010 1070333990 /nfs/dbraw/zinc/33/39/90/1070333990.db2.gz VPMDXZRHRKDOQC-FQEVSTJZSA-N 1 0 492.615 4.272 20 0 JIADRO CC(C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359680131 1070336376 /nfs/dbraw/zinc/33/63/76/1070336376.db2.gz FUNYKEUTWCHLIR-OAQYLSRUSA-N 1 0 466.655 4.295 20 0 JIADRO CC(C)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359682278 1070338995 /nfs/dbraw/zinc/33/89/95/1070338995.db2.gz KZMBTWDTTDAAOE-SFHVURJKSA-N 1 0 469.590 4.190 20 0 JIADRO CC(C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359684287 1070340295 /nfs/dbraw/zinc/34/02/95/1070340295.db2.gz ZEBYFDMGGAQWLM-UHFFFAOYSA-N 1 0 455.647 4.149 20 0 JIADRO CC(C)c1nnc(N2CCC(c3nc(-c4ccccn4)no3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359694916 1070353864 /nfs/dbraw/zinc/35/38/64/1070353864.db2.gz XQNDLPASLBQPMO-UHFFFAOYSA-N 1 0 466.634 4.349 20 0 JIADRO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359692452 1070351395 /nfs/dbraw/zinc/35/13/95/1070351395.db2.gz PPHFHPIUMIXJNG-OFVILXPXSA-N 1 0 493.618 4.496 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359699298 1070361220 /nfs/dbraw/zinc/36/12/20/1070361220.db2.gz BGMDCAUKORISQF-QFIPXVFZSA-N 1 0 484.645 4.304 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359699822 1070362361 /nfs/dbraw/zinc/36/23/61/1070362361.db2.gz SIDLIQISZSLBMF-OAQYLSRUSA-N 1 0 467.662 4.457 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359705240 1070371081 /nfs/dbraw/zinc/37/10/81/1070371081.db2.gz AEDXXTWTHAVOIU-NZQKXSOJSA-N 1 0 466.674 4.274 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359705653 1070371691 /nfs/dbraw/zinc/37/16/91/1070371691.db2.gz JCRAJNJVIALDJB-CTNGQTDRSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001359707305 1070374894 /nfs/dbraw/zinc/37/48/94/1070374894.db2.gz QLHBYXYEQHFRRJ-RBUKOAKNSA-N 1 0 478.483 4.152 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706868 1070373296 /nfs/dbraw/zinc/37/32/96/1070373296.db2.gz IOVPPISJWAEQJB-LADGPHEKSA-N 1 0 480.701 4.437 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001359708458 1070377414 /nfs/dbraw/zinc/37/74/14/1070377414.db2.gz QEFFCEFUMDYLKB-LJQANCHMSA-N 1 0 482.620 4.134 20 0 JIADRO CC(C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359708826 1070377829 /nfs/dbraw/zinc/37/78/29/1070377829.db2.gz WYUCAFPWAYXQOE-UYAOXDASSA-N 1 0 453.553 4.470 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359711524 1070378920 /nfs/dbraw/zinc/37/89/20/1070378920.db2.gz KGPXMQOXJOXRQJ-QFIPXVFZSA-N 1 0 458.695 4.285 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359711384 1070378993 /nfs/dbraw/zinc/37/89/93/1070378993.db2.gz DKRQOQOUMDACEK-OAQYLSRUSA-N 1 0 470.637 4.158 20 0 JIADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359711634 1070379963 /nfs/dbraw/zinc/37/99/63/1070379963.db2.gz NKKDQMKBYTVYFO-NHTMILBNSA-N 1 0 487.714 4.106 20 0 JIADRO COc1ccc(CCn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2C(C)(C)C)c(OC)c1 ZINC001315465552 1064291979 /nfs/dbraw/zinc/29/19/79/1064291979.db2.gz OQJPDODTBWRYQQ-UHFFFAOYSA-N 1 0 457.663 4.394 20 0 JIADRO COc1ccc(CN(C)c2nnc(C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC(F)F ZINC001315470549 1064308272 /nfs/dbraw/zinc/30/82/72/1064308272.db2.gz LMHJMTAVNDSEJI-HJPURHCSSA-N 1 0 451.562 4.343 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001315473043 1064313722 /nfs/dbraw/zinc/31/37/22/1064313722.db2.gz WOTUWTYGUMHXPJ-LJQANCHMSA-N 1 0 452.603 4.049 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1F ZINC001315475935 1064325820 /nfs/dbraw/zinc/32/58/20/1064325820.db2.gz DXIJCZDRSUJHKY-SIKLNZKXSA-N 1 0 457.550 4.200 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1F ZINC001315475937 1064325919 /nfs/dbraw/zinc/32/59/19/1064325919.db2.gz DXIJCZDRSUJHKY-UGKGYDQZSA-N 1 0 457.550 4.200 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)cc1F ZINC001315477114 1064328260 /nfs/dbraw/zinc/32/82/60/1064328260.db2.gz WQPSUTKTDKPJQJ-HXUWFJFHSA-N 1 0 466.586 4.489 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001315479229 1064335561 /nfs/dbraw/zinc/33/55/61/1064335561.db2.gz GUMCNECJWPRQGW-QFIPXVFZSA-N 1 0 460.582 4.113 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC001315479940 1064337828 /nfs/dbraw/zinc/33/78/28/1064337828.db2.gz MJNKZRKBGNCXDD-FQEVSTJZSA-N 1 0 466.605 4.170 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001315483148 1064347979 /nfs/dbraw/zinc/34/79/79/1064347979.db2.gz KXZMTKBUDSCZCK-REWPJTCUSA-N 1 0 498.672 4.479 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC001315486012 1064356375 /nfs/dbraw/zinc/35/63/75/1064356375.db2.gz NNMUZFFBTOZOLG-FQEVSTJZSA-N 1 0 476.463 4.498 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1OC ZINC001315487665 1064362577 /nfs/dbraw/zinc/36/25/77/1064362577.db2.gz CRKZIQUQXJARGC-UHFFFAOYSA-N 1 0 471.005 4.026 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC001315499362 1064396282 /nfs/dbraw/zinc/39/62/82/1064396282.db2.gz RKGPYXJBUNQFTK-UHFFFAOYSA-N 1 0 457.663 4.489 20 0 JIADRO COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)c(C(F)(F)F)c1 ZINC001315506480 1064423586 /nfs/dbraw/zinc/42/35/86/1064423586.db2.gz GVKFXSRDBLXFHI-HXUWFJFHSA-N 1 0 467.536 4.172 20 0 JIADRO COc1ccc(CN2CCCN(c3nnc(C(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2=O)cc1 ZINC001315507974 1064429943 /nfs/dbraw/zinc/42/99/43/1064429943.db2.gz VZVNNINTUBJSDB-QFIPXVFZSA-N 1 0 496.681 4.013 20 0 JIADRO COc1ccc(Cn2c(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508063 1064430720 /nfs/dbraw/zinc/43/07/20/1064430720.db2.gz QCBWKMQEXRDMNN-DOTOQJQBSA-N 1 0 451.537 4.324 20 0 JIADRO COc1ccc(COCCn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001315508901 1064434203 /nfs/dbraw/zinc/43/42/03/1064434203.db2.gz MTGOYCGPIOBCFB-UHFFFAOYSA-N 1 0 480.657 4.067 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC001315527878 1064505854 /nfs/dbraw/zinc/50/58/54/1064505854.db2.gz VTVIMZARMMQJGV-WOJBJXKFSA-N 1 0 455.647 4.399 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001315529782 1064512208 /nfs/dbraw/zinc/51/22/08/1064512208.db2.gz NGCUGUKRBVNVOP-OFAXGOBFSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001315532901 1064520319 /nfs/dbraw/zinc/52/03/19/1064520319.db2.gz CUJNOTCUTCEAEI-SFTDATJTSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001315534704 1064523289 /nfs/dbraw/zinc/52/32/89/1064523289.db2.gz UZCBGEIUVWRENM-BJKOFHAPSA-N 1 0 485.673 4.237 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001315543055 1064542815 /nfs/dbraw/zinc/54/28/15/1064542815.db2.gz UKKVDDVTLNMOFF-FQEVSTJZSA-N 1 0 455.647 4.079 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001315543057 1064542898 /nfs/dbraw/zinc/54/28/98/1064542898.db2.gz UKKVDDVTLNMOFF-HXUWFJFHSA-N 1 0 455.647 4.079 20 0 JIADRO COc1ccc2c(c1)CN(c1nnc([C@]3(OC(C)C)CCOC3)n1CC[NH+](C(C)C)C(C)C)CC2 ZINC001315546329 1064553182 /nfs/dbraw/zinc/55/31/82/1064553182.db2.gz NXARJDZKMIAOHF-MHZLTWQESA-N 1 0 485.673 4.009 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315546450 1064553902 /nfs/dbraw/zinc/55/39/02/1064553902.db2.gz IAPRHONASATWCQ-DENIHFKCSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCOC(C)(C)[C@@H]2C)[NH+](C)C)c1 ZINC001315547746 1064558016 /nfs/dbraw/zinc/55/80/16/1064558016.db2.gz CQQUNGOILJQXJT-CVDCTZTESA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)[C@@H](F)C2)[NH+](C)C)c1 ZINC001315547951 1064558796 /nfs/dbraw/zinc/55/87/96/1064558796.db2.gz VGBWXEBEDQCMLR-WNYOCNMUSA-N 1 0 491.409 4.141 20 0 JIADRO COc1cccc([C@H](Cn2c(N3CC[C@@H](C4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001315548479 1064560088 /nfs/dbraw/zinc/56/00/88/1064560088.db2.gz JNEFCEBHOYYSSE-GGAORHGYSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CC3)nnc2N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC001315549096 1064563228 /nfs/dbraw/zinc/56/32/28/1064563228.db2.gz PGTQNVNTNBYKOD-HXUWFJFHSA-N 1 0 460.420 4.031 20 0 JIADRO COc1cccc([C@@H](Cn2c(N(C)C[C@H]3CCCOC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549172 1064563289 /nfs/dbraw/zinc/56/32/89/1064563289.db2.gz PSCKNNFREHNCHI-NFBKMPQASA-N 1 0 455.647 4.284 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3C[C@@H](C)OC(C)(C)C3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549482 1064564143 /nfs/dbraw/zinc/56/41/43/1064564143.db2.gz QQXKIVDKEPDSAN-DENIHFKCSA-N 1 0 455.647 4.425 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315549888 1064565432 /nfs/dbraw/zinc/56/54/32/1064565432.db2.gz SSYRRBNFYPBKJE-XMMPIXPASA-N 1 0 496.700 4.017 20 0 JIADRO COc1cccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315550676 1064567806 /nfs/dbraw/zinc/56/78/06/1064567806.db2.gz ZDPRZFMXWRFMOP-RPWUZVMVSA-N 1 0 480.682 4.153 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)c1 ZINC001315552379 1064568916 /nfs/dbraw/zinc/56/89/16/1064568916.db2.gz RUBASBDTIOIRTB-WTBLGDFPSA-N 1 0 498.672 4.271 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315552494 1064569477 /nfs/dbraw/zinc/56/94/77/1064569477.db2.gz QTCGXOXRLBWNJJ-LJQANCHMSA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315552453 1064569819 /nfs/dbraw/zinc/56/98/19/1064569819.db2.gz QHUYXKYKGZJOHY-WOJBJXKFSA-N 1 0 455.647 4.468 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315553043 1064570147 /nfs/dbraw/zinc/57/01/47/1064570147.db2.gz AVHHMKCFOZOXQF-BERHBOFZSA-N 1 0 485.673 4.235 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001315555924 1064575292 /nfs/dbraw/zinc/57/52/92/1064575292.db2.gz NKHQYIJIERABGD-UHFFFAOYSA-N 1 0 458.404 4.095 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315557866 1064578889 /nfs/dbraw/zinc/57/88/89/1064578889.db2.gz MXFKJEWFXFAKET-SFTDATJTSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)c1 ZINC001315562416 1064588842 /nfs/dbraw/zinc/58/88/42/1064588842.db2.gz FYEWWPMVGORIMF-LEWJYISDSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)c1 ZINC001315562420 1064588970 /nfs/dbraw/zinc/58/89/70/1064588970.db2.gz FYEWWPMVGORIMF-RTWAWAEBSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001315563521 1064591950 /nfs/dbraw/zinc/59/19/50/1064591950.db2.gz BWKZLBGVIGGLDC-JOCHJYFZSA-N 1 0 498.672 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001315567899 1064601632 /nfs/dbraw/zinc/60/16/32/1064601632.db2.gz UVXDDVIVFKPSMI-GHTZIAJQSA-N 1 0 481.563 4.376 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315567933 1064601812 /nfs/dbraw/zinc/60/18/12/1064601812.db2.gz VNIHNINQMAPASH-YLJYHZDGSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315570770 1064613796 /nfs/dbraw/zinc/61/37/96/1064613796.db2.gz KXHLQTOJXRAUHL-ZCYQVOJMSA-N 1 0 479.673 4.466 20 0 JIADRO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315571055 1064614991 /nfs/dbraw/zinc/61/49/91/1064614991.db2.gz NWDPWADKBIEHIV-ZFGGDYGUSA-N 1 0 482.673 4.134 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315575874 1064632034 /nfs/dbraw/zinc/63/20/34/1064632034.db2.gz VRBRMOYGKYDLAZ-KRWDZBQOSA-N 1 0 479.547 4.033 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001315576504 1064633892 /nfs/dbraw/zinc/63/38/92/1064633892.db2.gz ZZNCEWVFVXIWLU-FPOVZHCZSA-N 1 0 498.672 4.178 20 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COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315600347 1064707681 /nfs/dbraw/zinc/70/76/81/1064707681.db2.gz XFWFCCZIBXWWRC-KOSHJBKYSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001315601162 1064709616 /nfs/dbraw/zinc/70/96/16/1064709616.db2.gz WCEXZNGMGDUUNN-QFIPXVFZSA-N 1 0 485.673 4.094 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315603113 1064714672 /nfs/dbraw/zinc/71/46/72/1064714672.db2.gz ADLWVZMRQNSZOV-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315603424 1064715001 /nfs/dbraw/zinc/71/50/01/1064715001.db2.gz DKFYZPXYRLJQET-RLWLMLJZSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001315603959 1064716430 /nfs/dbraw/zinc/71/64/30/1064716430.db2.gz KTSMAOTWTWRCNF-FQEVSTJZSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315607023 1064724010 /nfs/dbraw/zinc/72/40/10/1064724010.db2.gz FGVBODYJQPDUBO-NHCUHLMSSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001315607615 1064725283 /nfs/dbraw/zinc/72/52/83/1064725283.db2.gz RJDZVCHMQXDVNO-SANMLTNESA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315608935 1064727949 /nfs/dbraw/zinc/72/79/49/1064727949.db2.gz ZDEBETNSDOQUGV-GHTZIAJQSA-N 1 0 494.606 4.147 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001315610251 1064729749 /nfs/dbraw/zinc/72/97/49/1064729749.db2.gz VBFQVELEIDECBN-XUZZJYLKSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315610995 1064731214 /nfs/dbraw/zinc/73/12/14/1064731214.db2.gz JSBVTILNVXAOTR-XJUOHMSHSA-N 1 0 482.673 4.134 20 0 JIADRO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001315613493 1064737214 /nfs/dbraw/zinc/73/72/14/1064737214.db2.gz PLVVVGCEMBNALQ-FCHUYYIVSA-N 1 0 469.674 4.106 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C2CCCCC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001315615330 1064741063 /nfs/dbraw/zinc/74/10/63/1064741063.db2.gz KAESHLBREZMKSE-UHFFFAOYSA-N 1 0 457.688 4.474 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315615733 1064741659 /nfs/dbraw/zinc/74/16/59/1064741659.db2.gz OMEQJGYTTSOVSY-HXUWFJFHSA-N 1 0 499.059 4.063 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315615970 1064742180 /nfs/dbraw/zinc/74/21/80/1064742180.db2.gz PCVDUDRLLWLNFF-QFIPXVFZSA-N 1 0 480.638 4.483 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315617211 1064745889 /nfs/dbraw/zinc/74/58/89/1064745889.db2.gz WXJDHAYOKZWHIF-PMACEKPBSA-N 1 0 457.663 4.248 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315617709 1064747701 /nfs/dbraw/zinc/74/77/01/1064747701.db2.gz FYACOHKOXBBHIS-YADHBBJMSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315620891 1064754756 /nfs/dbraw/zinc/75/47/56/1064754756.db2.gz QEHPWOZJJBBVME-SFTDATJTSA-N 1 0 455.647 4.002 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315622407 1064758604 /nfs/dbraw/zinc/75/86/04/1064758604.db2.gz ZDLSKLSXEJBOIX-OZIGNCPNSA-N 1 0 495.590 4.154 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1CC[NH+]1CCCCCC1 ZINC001315627265 1064772475 /nfs/dbraw/zinc/77/24/75/1064772475.db2.gz JSRSYHLGWLMGSU-SANMLTNESA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1CC[NH+]1CCCCCC1 ZINC001315627263 1064772607 /nfs/dbraw/zinc/77/26/07/1064772607.db2.gz JSRSYHLGWLMGSU-AREMUKBSSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001315628922 1064776621 /nfs/dbraw/zinc/77/66/21/1064776621.db2.gz AUVDFWNTQKCNPZ-OAQYLSRUSA-N 1 0 497.606 4.403 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCOC(F)F ZINC001315629893 1064778129 /nfs/dbraw/zinc/77/81/29/1064778129.db2.gz QCUOJMHFMWDTQV-UHFFFAOYSA-N 1 0 477.600 4.208 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001315630648 1064781331 /nfs/dbraw/zinc/78/13/31/1064781331.db2.gz BOALAZJCTGNCBP-IRLDBZIGSA-N 1 0 469.655 4.103 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315631319 1064782472 /nfs/dbraw/zinc/78/24/72/1064782472.db2.gz NKAXFUAMDJXDSC-NZQKXSOJSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315631640 1064783287 /nfs/dbraw/zinc/78/32/87/1064783287.db2.gz MDSDVOWXBHXRAW-URXFXBBRSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315637628 1064796064 /nfs/dbraw/zinc/79/60/64/1064796064.db2.gz MYXVLNMIEYHVCK-OYRHEFFESA-N 1 0 478.641 4.181 20 0 JIADRO COc1ccccc1CN(Cc1cccs1)c1nnc(C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315638192 1064796738 /nfs/dbraw/zinc/79/67/38/1064796738.db2.gz CRIZNRGDRDPLIU-UHFFFAOYSA-N 1 0 469.655 4.099 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315639129 1064799325 /nfs/dbraw/zinc/79/93/25/1064799325.db2.gz KMZXHNBOGRBMKK-CTNGQTDRSA-N 1 0 455.628 4.182 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2ccc(C)o2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315640097 1064802339 /nfs/dbraw/zinc/80/23/39/1064802339.db2.gz RGLJUTTXQMQNHE-HRFSGMKKSA-N 1 0 481.641 4.365 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccco2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315646558 1064818869 /nfs/dbraw/zinc/81/88/69/1064818869.db2.gz FKEKNBIMCMUFEN-JOCHJYFZSA-N 1 0 453.587 4.216 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccc(C)o2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315648444 1064824417 /nfs/dbraw/zinc/82/44/17/1064824417.db2.gz SGTPMNTZKWMVCI-IBGZPJMESA-N 1 0 453.587 4.135 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001315653265 1064838296 /nfs/dbraw/zinc/83/82/96/1064838296.db2.gz HACHZYYGYUBQEH-GOSISDBHSA-N 1 0 455.628 4.261 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315653995 1064840191 /nfs/dbraw/zinc/84/01/91/1064840191.db2.gz ODEIPMNPOOVCAR-SFTDATJTSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001315654311 1064840989 /nfs/dbraw/zinc/84/09/89/1064840989.db2.gz GKNVFVQRCDICJB-RUZDIDTESA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315654730 1064842348 /nfs/dbraw/zinc/84/23/48/1064842348.db2.gz IOCOWTWXRHFRAW-HFZDXXHNSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315654789 1064842900 /nfs/dbraw/zinc/84/29/00/1064842900.db2.gz KAMIKYYDLOHZTC-SANMLTNESA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCOC(F)(F)F ZINC001315658132 1064851282 /nfs/dbraw/zinc/85/12/82/1064851282.db2.gz XNRIVTWILYKJQI-GOSISDBHSA-N 1 0 497.562 4.103 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2ccoc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001315660875 1064859272 /nfs/dbraw/zinc/85/92/72/1064859272.db2.gz FPUHFYLBZJOTQU-UHFFFAOYSA-N 1 0 485.654 4.044 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315661523 1064861566 /nfs/dbraw/zinc/86/15/66/1064861566.db2.gz HWGWYZIPGRNABW-SLFFLAALSA-N 1 0 461.676 4.169 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001315661844 1064862452 /nfs/dbraw/zinc/86/24/52/1064862452.db2.gz KRGPMSOGXBMWTP-PMACEKPBSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315664564 1064875692 /nfs/dbraw/zinc/87/56/92/1064875692.db2.gz UXHVWJBHCXMTRG-QGZVFWFLSA-N 1 0 453.603 4.401 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315665346 1064878401 /nfs/dbraw/zinc/87/84/01/1064878401.db2.gz BARADVDNBXLJJC-UHFFFAOYSA-N 1 0 496.681 4.361 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](C)CC2)n1CC[NH+]1CCSCC1 ZINC001315667180 1064885728 /nfs/dbraw/zinc/88/57/28/1064885728.db2.gz INMRZPANUBLRTB-IBGZPJMESA-N 1 0 461.701 4.254 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@@H](C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001315668178 1064890769 /nfs/dbraw/zinc/89/07/69/1064890769.db2.gz UTJUPYZDODDMTA-HXUWFJFHSA-N 1 0 473.687 4.052 20 0 JIADRO COc1ccncc1Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315669440 1064896896 /nfs/dbraw/zinc/89/68/96/1064896896.db2.gz KYDMSYCYKOOYLO-UHFFFAOYSA-N 1 0 499.457 4.470 20 0 JIADRO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315672352 1064903044 /nfs/dbraw/zinc/90/30/44/1064903044.db2.gz OZALREJFRPPCFX-OAQYLSRUSA-N 1 0 462.642 4.419 20 0 JIADRO COC1CCC(CCn2c(-c3cccn3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001315677016 1064914676 /nfs/dbraw/zinc/91/46/76/1064914676.db2.gz FAMOGGRTOIUSOX-UHFFFAOYSA-N 1 0 456.679 4.436 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001315688093 1064940404 /nfs/dbraw/zinc/94/04/04/1064940404.db2.gz BSLZEMFRMVCVEX-UGKGYDQZSA-N 1 0 462.038 4.246 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315691397 1064947876 /nfs/dbraw/zinc/94/78/76/1064947876.db2.gz IWDQBKYJXCGBAC-FYYLOGMGSA-N 1 0 457.638 4.381 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315693744 1064952501 /nfs/dbraw/zinc/95/25/01/1064952501.db2.gz RKAUMJZSERDZLX-WOJBJXKFSA-N 1 0 476.463 4.443 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315697654 1064960801 /nfs/dbraw/zinc/96/08/01/1064960801.db2.gz RBFOWXKKJZJOQY-MOPGFXCFSA-N 1 0 474.403 4.219 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315698731 1064962676 /nfs/dbraw/zinc/96/26/76/1064962676.db2.gz XUSPXRRDPVIQQN-YLJYHZDGSA-N 1 0 450.002 4.473 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001315701172 1064965122 /nfs/dbraw/zinc/96/51/22/1064965122.db2.gz DBLYGAXWMJSLMA-OFNKIYASSA-N 1 0 453.656 4.456 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001315703138 1064967507 /nfs/dbraw/zinc/96/75/07/1064967507.db2.gz BPHIMEVGSOWTAE-UHFFFAOYSA-N 1 0 468.690 4.001 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001315703136 1064967706 /nfs/dbraw/zinc/96/77/06/1064967706.db2.gz BOSAYYZAFSTWAC-IBGZPJMESA-N 1 0 479.591 4.379 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(O)(c3ccccc3)CC2)CC1 ZINC001315703275 1064968233 /nfs/dbraw/zinc/96/82/33/1064968233.db2.gz IWCPBTSEAYVESP-UHFFFAOYSA-N 1 0 483.701 4.244 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N2CCC=C(Br)C2)CC1 ZINC001315703492 1064969033 /nfs/dbraw/zinc/96/90/33/1064969033.db2.gz CZXQGAFIIPBYJR-UHFFFAOYSA-N 1 0 478.435 4.225 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001315704380 1064970804 /nfs/dbraw/zinc/97/08/04/1064970804.db2.gz HQJXOWJGOXGGKM-VWLOTQADSA-N 1 0 475.703 4.215 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001315705533 1064974951 /nfs/dbraw/zinc/97/49/51/1064974951.db2.gz PGTBRBULGAWUHR-OAQYLSRUSA-N 1 0 460.692 4.148 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(N(C)c3ccc(C)cc3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001315706780 1064979540 /nfs/dbraw/zinc/97/95/40/1064979540.db2.gz XLNARLXZJCUEAO-MHZLTWQESA-N 1 0 485.673 4.284 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC=C(C)C2)CC1 ZINC001315707446 1064981312 /nfs/dbraw/zinc/98/13/12/1064981312.db2.gz YSBMLCSAWMRDRI-UHFFFAOYSA-N 1 0 491.478 4.092 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001315707596 1064981895 /nfs/dbraw/zinc/98/18/95/1064981895.db2.gz MAGJZLRRHNQRJN-PKOBYXMFSA-N 1 0 450.052 4.323 20 0 JIADRO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@H]1C ZINC001315708941 1064984699 /nfs/dbraw/zinc/98/46/99/1064984699.db2.gz FQEMXVOFRIDXKG-OFNKIYASSA-N 1 0 482.673 4.130 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)[NH+](C)C)CC1(C)C ZINC001315712380 1064993055 /nfs/dbraw/zinc/99/30/55/1064993055.db2.gz KJMGQKZPKRMFFD-APWZRJJASA-N 1 0 454.644 4.188 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1(C)C ZINC001315712952 1064996826 /nfs/dbraw/zinc/99/68/26/1064996826.db2.gz MIZACMJDELOHTC-XLIONFOSSA-N 1 0 493.494 4.028 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)CC[C@H]1C ZINC001315713670 1064999487 /nfs/dbraw/zinc/99/94/87/1064999487.db2.gz 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/nfs/dbraw/zinc/89/70/83/1065897083.db2.gz MCJJZYQYVILYGR-UKILVPOCSA-N 1 0 485.673 4.064 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316202836 1065902315 /nfs/dbraw/zinc/90/23/15/1065902315.db2.gz RAVHPOPXGAWCSA-RZUBCFFCSA-N 1 0 475.703 4.396 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCc1ccsc1 ZINC001316206606 1065907377 /nfs/dbraw/zinc/90/73/77/1065907377.db2.gz OVWOYMPLHHOOGK-SNCIUUNGSA-N 1 0 461.676 4.007 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCc1ccc(C)cc1C ZINC001316207043 1065908168 /nfs/dbraw/zinc/90/81/68/1065908168.db2.gz SPFZRHFOVISRMK-FYYLOGMGSA-N 1 0 469.674 4.172 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001316213098 1065920729 /nfs/dbraw/zinc/92/07/29/1065920729.db2.gz YTJWFCYMOLHVJP-GMKZXUHWSA-N 1 0 485.673 4.091 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001316213478 1065921191 /nfs/dbraw/zinc/92/11/91/1065921191.db2.gz MNUYDDNIUZOEJM-WCIQWLHISA-N 1 0 473.584 4.045 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001316217522 1065929010 /nfs/dbraw/zinc/92/90/10/1065929010.db2.gz HPLJBFTUCNFETI-OAQYLSRUSA-N 1 0 487.714 4.246 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316217575 1065929159 /nfs/dbraw/zinc/92/91/59/1065929159.db2.gz IMFSIPLANVSDEL-BHDDXSALSA-N 1 0 479.735 4.379 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCSC1(C)C ZINC001316218299 1065930453 /nfs/dbraw/zinc/93/04/53/1065930453.db2.gz WHDRIGQIDCTICC-PMACEKPBSA-N 1 0 467.724 4.092 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001316218419 1065930868 /nfs/dbraw/zinc/93/08/68/1065930868.db2.gz CRHQRAMCHDFLAG-JQYIIUTOSA-N 1 0 491.721 4.442 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316218422 1065931442 /nfs/dbraw/zinc/93/14/42/1065931442.db2.gz CRHQRAMCHDFLAG-ZEVJAHDQSA-N 1 0 491.721 4.442 20 0 JIADRO COCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001316230107 1065952302 /nfs/dbraw/zinc/95/23/02/1065952302.db2.gz RGTUMONCDQTVRI-UHFFFAOYSA-N 1 0 484.689 4.036 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001316231985 1065958908 /nfs/dbraw/zinc/95/89/08/1065958908.db2.gz HHADVTOFPGXYDS-NFBKMPQASA-N 1 0 476.065 4.495 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001316232691 1065960406 /nfs/dbraw/zinc/96/04/06/1065960406.db2.gz DKLYGMMOUUYXJY-DEOSSOPVSA-N 1 0 467.658 4.136 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001316233004 1065961403 /nfs/dbraw/zinc/96/14/03/1065961403.db2.gz GGQGQGGCHBDWAG-ZEQRLZLVSA-N 1 0 469.674 4.215 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001316233003 1065961454 /nfs/dbraw/zinc/96/14/54/1065961454.db2.gz GGQGQGGCHBDWAG-RPWUZVMVSA-N 1 0 469.674 4.215 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001316233416 1065961825 /nfs/dbraw/zinc/96/18/25/1065961825.db2.gz HXMHSBWFVKHRAB-WRALFONMSA-N 1 0 499.700 4.342 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001316235405 1065966572 /nfs/dbraw/zinc/96/65/72/1065966572.db2.gz XEHWTCHOXIAEBV-RTWAWAEBSA-N 1 0 459.635 4.028 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316272185 1066018563 /nfs/dbraw/zinc/01/85/63/1066018563.db2.gz JEWBTUTVOHFKJI-ANZJIFDASA-N 1 0 453.587 4.095 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001316273437 1066021481 /nfs/dbraw/zinc/02/14/81/1066021481.db2.gz QEZRXQXJLLRNKV-XWUOBKMESA-N 1 0 461.676 4.381 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316274138 1066023513 /nfs/dbraw/zinc/02/35/13/1066023513.db2.gz NEKCSBNITYYVLA-VCOUNFBDSA-N 1 0 461.676 4.130 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001316279836 1066033508 /nfs/dbraw/zinc/03/35/08/1066033508.db2.gz KVPHOTGFIJPQKD-GMAHTHKFSA-N 1 0 473.637 4.431 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001316286278 1066043422 /nfs/dbraw/zinc/04/34/22/1066043422.db2.gz IPPXPCDQLAATHZ-HNJRGHQBSA-N 1 0 473.584 4.263 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(OC)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001316291130 1066051133 /nfs/dbraw/zinc/05/11/33/1066051133.db2.gz DILDHRRIDIKCKC-DIEJLHDWSA-N 1 0 491.721 4.154 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCC(F)(F)F ZINC001316296400 1066057402 /nfs/dbraw/zinc/05/74/02/1066057402.db2.gz GMUHVEJXKDAUNS-GIVPXCGWSA-N 1 0 481.563 4.055 20 0 JIADRO CON(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316303193 1066063237 /nfs/dbraw/zinc/06/32/37/1066063237.db2.gz NAQLVAHASGEHDQ-RXVVDRJESA-N 1 0 468.627 4.289 20 0 JIADRO CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316318198 1066074040 /nfs/dbraw/zinc/07/40/40/1066074040.db2.gz DXQHURPSTWFSAF-MJGOQNOKSA-N 1 0 462.019 4.345 20 0 JIADRO CO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001316324694 1066081469 /nfs/dbraw/zinc/08/14/69/1066081469.db2.gz XHSAUOYMWRJBIS-SFHVURJKSA-N 1 0 480.426 4.336 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001316327920 1066083712 /nfs/dbraw/zinc/08/37/12/1066083712.db2.gz CWLLSSBBPDWXHH-DEOSSOPVSA-N 1 0 469.674 4.457 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001316330486 1066086650 /nfs/dbraw/zinc/08/66/50/1066086650.db2.gz VRZIBTGBDFPVHQ-XGAJZPNHSA-N 1 0 485.673 4.005 20 0 JIADRO C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001316361916 1066098556 /nfs/dbraw/zinc/09/85/56/1066098556.db2.gz FIBLGNFCCGFUCO-GFJKYASSSA-N 1 0 463.736 4.260 20 0 JIADRO C[S@](=O)C1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001316367547 1066110976 /nfs/dbraw/zinc/11/09/76/1066110976.db2.gz VRQARHFHQSKBBL-XIFFEERXSA-N 1 0 494.105 4.122 20 0 JIADRO CSC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001316367776 1066111746 /nfs/dbraw/zinc/11/17/46/1066111746.db2.gz LLAKFYKGWZERTP-UHFFFAOYSA-N 1 0 493.121 4.464 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001316377188 1066141646 /nfs/dbraw/zinc/14/16/46/1066141646.db2.gz DBSWGCXZKWHYBV-GOSISDBHSA-N 1 0 479.094 4.074 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316377391 1066142672 /nfs/dbraw/zinc/14/26/72/1066142672.db2.gz NXLWZBJNJOPMRY-INIZCTEOSA-N 1 0 481.508 4.490 20 0 JIADRO CS[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316377767 1066143049 /nfs/dbraw/zinc/14/30/49/1066143049.db2.gz HJCALVKMEKOHKR-IRXDYDNUSA-N 1 0 450.052 4.040 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001316383097 1066152140 /nfs/dbraw/zinc/15/21/40/1066152140.db2.gz LFULJAQUULBCAO-NZQKXSOJSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316384325 1066153874 /nfs/dbraw/zinc/15/38/74/1066153874.db2.gz STPFLDRETSLZMC-RBUKOAKNSA-N 1 0 470.712 4.486 20 0 JIADRO CS[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316397083 1066174695 /nfs/dbraw/zinc/17/46/95/1066174695.db2.gz XPHCGTNDDMEERS-RTWAWAEBSA-N 1 0 473.687 4.489 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC[NH+](C)CC1 ZINC001316398662 1066176320 /nfs/dbraw/zinc/17/63/20/1066176320.db2.gz MHHZADHOIMRNKL-QFIPXVFZSA-N 1 0 475.678 4.318 20 0 JIADRO CSC1(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC[NH+](C)CC1 ZINC001316407509 1066190895 /nfs/dbraw/zinc/19/08/95/1066190895.db2.gz VLZHACZSPOLLOR-UHFFFAOYSA-N 1 0 454.619 4.251 20 0 JIADRO CSC1(Cn2c(Cc3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316409085 1066194168 /nfs/dbraw/zinc/19/41/68/1066194168.db2.gz VJRQGIVNSIMFRX-UHFFFAOYSA-N 1 0 454.688 4.274 20 0 JIADRO CSC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC[NH+](C)CC1 ZINC001316409029 1066194216 /nfs/dbraw/zinc/19/42/16/1066194216.db2.gz SZEFZIVJLJZRAL-OAQYLSRUSA-N 1 0 494.709 4.254 20 0 JIADRO CSC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC2CCOCC2)CC[NH+](C)CC1 ZINC001316409860 1066196560 /nfs/dbraw/zinc/19/65/60/1066196560.db2.gz JLPPYSGFMYILJE-UHFFFAOYSA-N 1 0 487.714 4.164 20 0 JIADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2scnc2C)CC[NH+](C)CC1 ZINC001316410145 1066197827 /nfs/dbraw/zinc/19/78/27/1066197827.db2.gz SXSZXMLJYYGFAX-UHFFFAOYSA-N 1 0 486.711 4.394 20 0 JIADRO CSC1(Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CC=CCC2)CC[NH+](C)CC1 ZINC001316410755 1066199919 /nfs/dbraw/zinc/19/99/19/1066199919.db2.gz DPCGZSJCAKTOEQ-IBGZPJMESA-N 1 0 460.717 4.254 20 0 JIADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)CC[NH+](C)CC1 ZINC001316412519 1066202827 /nfs/dbraw/zinc/20/28/27/1066202827.db2.gz OBALXGQOJGZUKJ-IEBWSBKVSA-N 1 0 478.732 4.117 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001316419089 1066220601 /nfs/dbraw/zinc/22/06/01/1066220601.db2.gz CCJPCJNDNOFGEE-XMMPIXPASA-N 1 0 468.696 4.444 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316423572 1066236378 /nfs/dbraw/zinc/23/63/78/1066236378.db2.gz OXVXRZQKQVRFGR-GHTZIAJQSA-N 1 0 495.640 4.237 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC(=O)Nc3cc(Br)ccc3C)CC2)cc1 ZINC001325028453 1066236480 /nfs/dbraw/zinc/23/64/80/1066236480.db2.gz UFABJNYAPKJFOD-UHFFFAOYSA-N 1 0 487.442 4.312 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492499231 1066241299 /nfs/dbraw/zinc/24/12/99/1066241299.db2.gz JAKJTFWKWIHIQP-IFXFPORBSA-N 1 0 480.682 4.287 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001492498950 1066241962 /nfs/dbraw/zinc/24/19/62/1066241962.db2.gz YDIKQYXEOGCMSB-XMMPIXPASA-N 1 0 476.604 4.077 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(CC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001316425513 1066243284 /nfs/dbraw/zinc/24/32/84/1066243284.db2.gz HNOVSVUVGZXSKW-DEOSSOPVSA-N 1 0 470.731 4.411 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492499378 1066247216 /nfs/dbraw/zinc/24/72/16/1066247216.db2.gz OJORFRGZXAXGMC-BGYRXZFFSA-N 1 0 466.605 4.312 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCOCC2)C1 ZINC001316429638 1066261321 /nfs/dbraw/zinc/26/13/21/1066261321.db2.gz DWUXAGJCNPWIRV-HSZRJFAPSA-N 1 0 487.714 4.308 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCc2coc(-c3ccccc3)n2)CC1 ZINC001325740021 1066266777 /nfs/dbraw/zinc/26/67/77/1066266777.db2.gz PKUSKIPTXRXAHB-IBGZPJMESA-N 1 0 465.573 4.226 20 0 JIADRO CSCc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001316432232 1066273595 /nfs/dbraw/zinc/27/35/95/1066273595.db2.gz DHZNUQZFRQMKPC-HSZRJFAPSA-N 1 0 457.688 4.250 20 0 JIADRO CC(C)(C)[NH2+]CC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F ZINC001325967382 1066276008 /nfs/dbraw/zinc/27/60/08/1066276008.db2.gz RIROMLZZDUWTCB-UHFFFAOYSA-N 1 0 469.298 4.009 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC[NH+]1CCCC1 ZINC001316435387 1066285902 /nfs/dbraw/zinc/28/59/02/1066285902.db2.gz BXFWNCPIAYVFDO-GOSISDBHSA-N 1 0 464.477 4.444 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001316437527 1066291276 /nfs/dbraw/zinc/29/12/76/1066291276.db2.gz BRWJJDYNWLQCFY-VXKWHMMOSA-N 1 0 478.106 4.211 20 0 JIADRO O=C(COc1ccc(Cl)cc1Br)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001326327635 1066292285 /nfs/dbraw/zinc/29/22/85/1066292285.db2.gz FUNGPPLJIMUKCS-QGZVFWFLSA-N 1 0 451.792 4.162 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001316442996 1066306269 /nfs/dbraw/zinc/30/62/69/1066306269.db2.gz WIZCIDIJECLWNZ-RBBKRZOGSA-N 1 0 459.708 4.126 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 ZINC001326981754 1066309023 /nfs/dbraw/zinc/30/90/23/1066309023.db2.gz CHEQQXQCDBCMNA-NSHDSACASA-N 1 0 465.854 4.339 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)n1 ZINC001492502781 1066310639 /nfs/dbraw/zinc/31/06/39/1066310639.db2.gz ISNJDUOTLJQRKJ-UHFFFAOYSA-N 1 0 452.578 4.177 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492503468 1066314632 /nfs/dbraw/zinc/31/46/32/1066314632.db2.gz IYSLJPWCFHFCHC-OAQYLSRUSA-N 1 0 466.605 4.423 20 0 JIADRO Cc1cccc(-c2nnc(N(Cc3cccs3)C(C)C)n2CCCC[NH+]2CCOCC2)n1 ZINC001492504101 1066318493 /nfs/dbraw/zinc/31/84/93/1066318493.db2.gz ILPPYFANIBAKDZ-UHFFFAOYSA-N 1 0 454.644 4.237 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001316447006 1066320268 /nfs/dbraw/zinc/32/02/68/1066320268.db2.gz NSNMPMHXUSPYCN-WOJBJXKFSA-N 1 0 450.656 4.365 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)n2CCCC(C)(C)C)n1 ZINC001492507057 1066329613 /nfs/dbraw/zinc/32/96/13/1066329613.db2.gz YBMJGDAWGMIQGT-UHFFFAOYSA-N 1 0 495.716 4.293 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)C2)ccn1 ZINC001328858931 1066330542 /nfs/dbraw/zinc/33/05/42/1066330542.db2.gz TZOYWSIFBMJUIL-DHIUTWEWSA-N 1 0 474.646 4.081 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001492507863 1066331974 /nfs/dbraw/zinc/33/19/74/1066331974.db2.gz BGIWSCLSVZHLSA-XMMPIXPASA-N 1 0 494.606 4.300 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492508205 1066333166 /nfs/dbraw/zinc/33/31/66/1066333166.db2.gz KVYKUIASQJOYKH-HXUWFJFHSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492511924 1066348812 /nfs/dbraw/zinc/34/88/12/1066348812.db2.gz ORSXKUHSIDYMQH-FGZHOGPDSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492514548 1066355828 /nfs/dbraw/zinc/35/58/28/1066355828.db2.gz OKOFJSWXPFNNPU-FGZHOGPDSA-N 1 0 481.689 4.044 20 0 JIADRO CSCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)CC1 ZINC001316462359 1066359670 /nfs/dbraw/zinc/35/96/70/1066359670.db2.gz KCJDUZBHBWONCP-UHFFFAOYSA-N 1 0 478.657 4.022 20 0 JIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cncc(OCC(F)F)c2)CC1 ZINC001331416376 1066360080 /nfs/dbraw/zinc/36/00/80/1066360080.db2.gz UXPNGNLOZGTROG-UHFFFAOYSA-N 1 0 457.443 4.481 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316465189 1066365449 /nfs/dbraw/zinc/36/54/49/1066365449.db2.gz HDFGFBHKWGZHSV-UHFFFAOYSA-N 1 0 459.660 4.028 20 0 JIADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001316471475 1066378956 /nfs/dbraw/zinc/37/89/56/1066378956.db2.gz BOBVJRMIIGKMBP-QGZVFWFLSA-N 1 0 481.508 4.111 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(O)CCCCCC2)n1 ZINC001492518927 1066381299 /nfs/dbraw/zinc/38/12/99/1066381299.db2.gz WITUHRGMYKRQNP-UHFFFAOYSA-N 1 0 454.663 4.292 20 0 JIADRO CSCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001316473954 1066381689 /nfs/dbraw/zinc/38/16/89/1066381689.db2.gz RVYZCQSLZAEVFA-UHFFFAOYSA-N 1 0 452.672 4.385 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](CC4CC4)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492522156 1066389856 /nfs/dbraw/zinc/38/98/56/1066389856.db2.gz HCGOLHOWIGTRPP-FYYLOGMGSA-N 1 0 497.688 4.118 20 0 JIADRO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC001492523095 1066392034 /nfs/dbraw/zinc/39/20/34/1066392034.db2.gz JWKYTRIMRHGYCP-UNMCSNQZSA-N 1 0 466.655 4.083 20 0 JIADRO Cc1cccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)C2)c1 ZINC001492523948 1066395887 /nfs/dbraw/zinc/39/58/87/1066395887.db2.gz CCJBVJXFWUQBFY-VWLOTQADSA-N 1 0 466.718 4.443 20 0 JIADRO C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001316483852 1066402268 /nfs/dbraw/zinc/40/22/68/1066402268.db2.gz VMZUEHHEXMHXLW-QPPBQGQZSA-N 1 0 483.701 4.484 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316486453 1066407752 /nfs/dbraw/zinc/40/77/52/1066407752.db2.gz AFMOPZZHFSKAQN-UTKZUKDTSA-N 1 0 489.064 4.384 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487232 1066409709 /nfs/dbraw/zinc/40/97/09/1066409709.db2.gz KTCMPSIZFFSOKD-BJZITVGISA-N 1 0 450.484 4.350 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316488111 1066414033 /nfs/dbraw/zinc/41/40/33/1066414033.db2.gz YTYQVACAAJMSGC-NQIIRXRSSA-N 1 0 499.685 4.094 20 0 JIADRO C[C@@H]1CN(c2nnc(C3CC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001316491271 1066426538 /nfs/dbraw/zinc/42/65/38/1066426538.db2.gz LFDIYUDCJLDFTR-DYESRHJHSA-N 1 0 472.609 4.043 20 0 JIADRO Cc1cccc(CCn2c(CC(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC001492531039 1066450217 /nfs/dbraw/zinc/45/02/17/1066450217.db2.gz QHHQIVHTXKKGOS-UHFFFAOYSA-N 1 0 453.675 4.357 20 0 JIADRO Cc1cccc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492531282 1066451907 /nfs/dbraw/zinc/45/19/07/1066451907.db2.gz XZZRQBYXBVBUGX-UHFFFAOYSA-N 1 0 454.569 4.014 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316498780 1066455661 /nfs/dbraw/zinc/45/56/61/1066455661.db2.gz DMMGODHLURCWGI-ZDWTUXFCSA-N 1 0 465.564 4.342 20 0 JIADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCC[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499029 1066456365 /nfs/dbraw/zinc/45/63/65/1066456365.db2.gz JIWAVAHLTJWRCH-JQVVWYNYSA-N 1 0 477.600 4.236 20 0 JIADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)CCN1C(=O)OC(C)(C)C ZINC001316501151 1066461510 /nfs/dbraw/zinc/46/15/10/1066461510.db2.gz PAJPEUVPEYUKSW-PZJWPPBQSA-N 1 0 474.694 4.329 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCc1c(F)cccc1F ZINC001316503594 1066470298 /nfs/dbraw/zinc/47/02/98/1066470298.db2.gz AOIGFRNTKALAGA-SFHVURJKSA-N 1 0 461.601 4.077 20 0 JIADRO FC(F)(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001316508423 1066487988 /nfs/dbraw/zinc/48/79/88/1066487988.db2.gz KGYYCYZMYAMNIM-DLBZAZTESA-N 1 0 476.410 4.210 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)NC(=O)OC(C)(C)C ZINC001337503306 1066488447 /nfs/dbraw/zinc/48/84/47/1066488447.db2.gz QRQYTCRGTYTPOZ-JOCHJYFZSA-N 1 0 497.640 4.143 20 0 JIADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCC2)C1 ZINC001316509008 1066490488 /nfs/dbraw/zinc/49/04/88/1066490488.db2.gz QTNFLSZGSMYAPS-UHFFFAOYSA-N 1 0 476.469 4.071 20 0 JIADRO FC(F)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CC=CCC2)C1 ZINC001316516121 1066512307 /nfs/dbraw/zinc/51/23/07/1066512307.db2.gz GVXRFRBECKDJAB-MRXNPFEDSA-N 1 0 466.374 4.451 20 0 JIADRO FC(F)(F)CSCCn1c(-c2cccnc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316516051 1066512333 /nfs/dbraw/zinc/51/23/33/1066512333.db2.gz YZFXHDVOTSFMDT-UHFFFAOYSA-N 1 0 468.593 4.338 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC001337859127 1066516337 /nfs/dbraw/zinc/51/63/37/1066516337.db2.gz VLDOPULJSQMBIP-KRWDZBQOSA-N 1 0 463.422 4.085 20 0 JIADRO FC(F)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001316520335 1066525003 /nfs/dbraw/zinc/52/50/03/1066525003.db2.gz UOHQCXKFMIFLKJ-UHFFFAOYSA-N 1 0 453.965 4.335 20 0 JIADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001338103347 1066531126 /nfs/dbraw/zinc/53/11/26/1066531126.db2.gz JGNDQZCXHFTEHR-UWJYYQICSA-N 1 0 468.399 4.327 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)c1C ZINC001338539164 1066562675 /nfs/dbraw/zinc/56/26/75/1066562675.db2.gz SUWGDWUAXMUJME-HNNXBMFYSA-N 1 0 457.644 4.417 20 0 JIADRO NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C1 ZINC001316545711 1066563773 /nfs/dbraw/zinc/56/37/73/1066563773.db2.gz KDKALNOMCVCMFF-KRWDZBQOSA-N 1 0 479.456 4.220 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N(Cc3ccccc3)Cc3ccccc3F)c2)CC1 ZINC001338637979 1066566837 /nfs/dbraw/zinc/56/68/37/1066566837.db2.gz KGULWLWIXFSPGH-UHFFFAOYSA-N 1 0 460.597 4.485 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)COc3ccc(Cl)cc3Br)CCCC2)CC1 ZINC001338713345 1066568699 /nfs/dbraw/zinc/56/86/99/1066568699.db2.gz ZKCNOCNXQPFYOS-UHFFFAOYSA-N 1 0 459.812 4.021 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CC(F)(F)Br)CC2)c1 ZINC001492534818 1066582169 /nfs/dbraw/zinc/58/21/69/1066582169.db2.gz OTRCMINCODORRJ-GOSISDBHSA-N 1 0 484.389 4.138 20 0 JIADRO Cc1cccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492535684 1066585404 /nfs/dbraw/zinc/58/54/04/1066585404.db2.gz WLBLYUUUVQXWCX-DEOSSOPVSA-N 1 0 454.663 4.274 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536074 1066586507 /nfs/dbraw/zinc/58/65/07/1066586507.db2.gz JVYXVBAJPBLKBQ-SZPZYZBQSA-N 1 0 454.663 4.290 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492536562 1066588596 /nfs/dbraw/zinc/58/85/96/1066588596.db2.gz BLRQJFIFXRLUKS-BHIFYINESA-N 1 0 455.647 4.147 20 0 JIADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)cnn1C ZINC001492537796 1066595083 /nfs/dbraw/zinc/59/50/83/1066595083.db2.gz JZRRYWNLULFZMR-JOCHJYFZSA-N 1 0 479.654 4.208 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001316590249 1066619416 /nfs/dbraw/zinc/61/94/16/1066619416.db2.gz NAXLCIZZFRXPKA-INIZCTEOSA-N 1 0 483.501 4.104 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001346196049 1066655666 /nfs/dbraw/zinc/65/56/66/1066655666.db2.gz MSFGBVMCEZZQQB-FXAWDEMLSA-N 1 0 456.553 4.036 20 0 JIADRO CCOc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1OCC(=O)N1CCCCC1 ZINC001317760758 1066673896 /nfs/dbraw/zinc/67/38/96/1066673896.db2.gz UEYIMVPRPQPKLM-UHFFFAOYSA-N 1 0 493.648 4.133 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001492543858 1066676267 /nfs/dbraw/zinc/67/62/67/1066676267.db2.gz ZVVUIHWYDYBOEE-LADGPHEKSA-N 1 0 469.674 4.395 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCCCOc4ccccc4)c3)cc2)CC1 ZINC001347693930 1066686021 /nfs/dbraw/zinc/68/60/21/1066686021.db2.gz QOEWQLLYKNEBTM-UHFFFAOYSA-N 1 0 459.590 4.468 20 0 JIADRO Cc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1N1CC[NH+](C)CC1 ZINC001317787364 1066688749 /nfs/dbraw/zinc/68/87/49/1066688749.db2.gz MIWXNFRPHKXADL-MRXNPFEDSA-N 1 0 479.650 4.153 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492544692 1066708919 /nfs/dbraw/zinc/70/89/19/1066708919.db2.gz VVSSCQNDPNPLDT-ZDXQCDESSA-N 1 0 455.647 4.147 20 0 JIADRO Cc1cnn([C@@H]2CCCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)c1 ZINC001492545244 1066733161 /nfs/dbraw/zinc/73/31/61/1066733161.db2.gz IZZFNGALQPLXAV-JOCHJYFZSA-N 1 0 465.646 4.100 20 0 JIADRO CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476132 1066748281 /nfs/dbraw/zinc/74/82/81/1066748281.db2.gz LWNKQZOIFDRCBF-PGRDOPGGSA-N 1 0 463.603 4.309 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001492546083 1066768555 /nfs/dbraw/zinc/76/85/55/1066768555.db2.gz OXUXBKYLHOQEHU-QFQXNSOFSA-N 1 0 455.647 4.027 20 0 JIADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001348777107 1066777717 /nfs/dbraw/zinc/77/77/17/1066777717.db2.gz VTOZMAARWFORIF-NHCUHLMSSA-N 1 0 454.617 4.314 20 0 JIADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001348901632 1066788212 /nfs/dbraw/zinc/78/82/12/1066788212.db2.gz WOQNOUQSNPCXCT-OAQYLSRUSA-N 1 0 473.499 4.020 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)ccc1N1CC[NH+](C)CC1 ZINC001317960311 1066813839 /nfs/dbraw/zinc/81/38/39/1066813839.db2.gz GHDSNFLQVCAELM-SFHVURJKSA-N 1 0 461.393 4.045 20 0 JIADRO Cc1ncsc1CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492546489 1066827212 /nfs/dbraw/zinc/82/72/12/1066827212.db2.gz WVSRXAMZODZFQD-UHFFFAOYSA-N 1 0 468.671 4.484 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc2c(Br)cnn2c1 ZINC001349392588 1066836996 /nfs/dbraw/zinc/83/69/96/1066836996.db2.gz RVMZJLGVQVFNCG-UHFFFAOYSA-N 1 0 455.360 4.041 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001317999256 1066841862 /nfs/dbraw/zinc/84/18/62/1066841862.db2.gz BONBCVLMUWULHY-UMTXDNHDSA-N 1 0 487.648 4.417 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cccn3ncc(Br)c23)[NH+]2CCCCC2)cc1 ZINC001349593296 1066858334 /nfs/dbraw/zinc/85/83/34/1066858334.db2.gz HJXVJGKXNVYHEH-FQEVSTJZSA-N 1 0 457.372 4.062 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001318042532 1066867323 /nfs/dbraw/zinc/86/73/23/1066867323.db2.gz CHPVXEQZIVGJMK-UHFFFAOYSA-N 1 0 483.638 4.239 20 0 JIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1nn(-c2ccccc2F)cc1Br ZINC001318075168 1066886403 /nfs/dbraw/zinc/88/64/03/1066886403.db2.gz CBIJXVSKIVEJRR-UHFFFAOYSA-N 1 0 457.347 4.300 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC001349910904 1066895507 /nfs/dbraw/zinc/89/55/07/1066895507.db2.gz NIEZILPBAFCKEP-QGZVFWFLSA-N 1 0 457.372 4.255 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC001349910902 1066895548 /nfs/dbraw/zinc/89/55/48/1066895548.db2.gz NIEZILPBAFCKEP-KRWDZBQOSA-N 1 0 457.372 4.255 20 0 JIADRO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC001349922070 1066896906 /nfs/dbraw/zinc/89/69/06/1066896906.db2.gz UKKPNJKAONARIX-UHFFFAOYSA-N 1 0 457.500 4.245 20 0 JIADRO O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318103209 1066900925 /nfs/dbraw/zinc/90/09/25/1066900925.db2.gz VRLOBZXHUHCJPO-QGZVFWFLSA-N 1 0 461.513 4.325 20 0 JIADRO CCc1ccc(-c2nc(C(=O)Nc3ccc(CC[NH+]4CCC(C(N)=O)CC4)cc3)cs2)cc1 ZINC001318143684 1066923092 /nfs/dbraw/zinc/92/30/92/1066923092.db2.gz USNAANLSAQVIAI-UHFFFAOYSA-N 1 0 462.619 4.365 20 0 JIADRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)c2)cc1F ZINC001318143631 1066923132 /nfs/dbraw/zinc/92/31/32/1066923132.db2.gz JRZVGQGHMYAZBC-UHFFFAOYSA-N 1 0 496.608 4.247 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)c(C)c2)CC1 ZINC001318163725 1066932134 /nfs/dbraw/zinc/93/21/34/1066932134.db2.gz QTNKSVCFXNFZQR-UHFFFAOYSA-N 1 0 481.641 4.483 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001492547751 1066935435 /nfs/dbraw/zinc/93/54/35/1066935435.db2.gz IMFVZSCPBDKTLN-HXUWFJFHSA-N 1 0 481.563 4.055 20 0 JIADRO CC[C@@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@@H+]1CCc2ccccc2C1 ZINC001318192317 1066950167 /nfs/dbraw/zinc/95/01/67/1066950167.db2.gz HWLWWPXSAHLKOX-QHCPKHFHSA-N 1 0 454.578 4.057 20 0 JIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001318192357 1066950280 /nfs/dbraw/zinc/95/02/80/1066950280.db2.gz JEORCHMLKLIGST-UHFFFAOYSA-N 1 0 466.626 4.484 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198311 1066953736 /nfs/dbraw/zinc/95/37/36/1066953736.db2.gz CHXLUXNPCCCSLU-WMZHIEFXSA-N 1 0 452.599 4.346 20 0 JIADRO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)c1C ZINC001350414325 1066955395 /nfs/dbraw/zinc/95/53/95/1066955395.db2.gz CJLYDRSLPCVGMZ-UHFFFAOYSA-N 1 0 452.599 4.276 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001318219428 1066967436 /nfs/dbraw/zinc/96/74/36/1066967436.db2.gz YPHFVBSZZDFRKM-VWLOTQADSA-N 1 0 464.610 4.065 20 0 JIADRO COCCN(C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001318226306 1066971092 /nfs/dbraw/zinc/97/10/92/1066971092.db2.gz NQCZRFVBUKLHOD-HXUWFJFHSA-N 1 0 492.586 4.372 20 0 JIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)c2)CC1 ZINC001318229630 1066973418 /nfs/dbraw/zinc/97/34/18/1066973418.db2.gz LXYFLEJCTMIRRN-UHFFFAOYSA-N 1 0 458.562 4.201 20 0 JIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318234389 1066975454 /nfs/dbraw/zinc/97/54/54/1066975454.db2.gz JBHKBHSJCBCIMB-UHFFFAOYSA-N 1 0 465.642 4.018 20 0 JIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001350597907 1066977337 /nfs/dbraw/zinc/97/73/37/1066977337.db2.gz IYTRQVBETXVFHP-UHFFFAOYSA-N 1 0 458.484 4.488 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)CC1 ZINC001318259295 1066987755 /nfs/dbraw/zinc/98/77/55/1066987755.db2.gz MQZAUZWEVSHVSD-UHFFFAOYSA-N 1 0 464.610 4.165 20 0 JIADRO Cc1cc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318260125 1066988369 /nfs/dbraw/zinc/98/83/69/1066988369.db2.gz ZBAHSGQTXFIHSB-XMMPIXPASA-N 1 0 482.028 4.380 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC001318271932 1066995832 /nfs/dbraw/zinc/99/58/32/1066995832.db2.gz LAZDETJEIRTACC-UHFFFAOYSA-N 1 0 474.561 4.068 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC001350781393 1067000903 /nfs/dbraw/zinc/00/09/03/1067000903.db2.gz ARNXSTLKTOBZOZ-LCYFTJDESA-N 1 0 451.954 4.142 20 0 JIADRO COc1cc([C@@H](C)NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1OC1CCCC1 ZINC001318327476 1067019372 /nfs/dbraw/zinc/01/93/72/1067019372.db2.gz UZZLUMPHFJMRRI-HXUWFJFHSA-N 1 0 466.626 4.329 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@](C)(O)CCC(C)C ZINC001300683809 1067021932 /nfs/dbraw/zinc/02/19/32/1067021932.db2.gz NFIVBLTVZPTBSS-RLWLMLJZSA-N 1 0 487.714 4.441 20 0 JIADRO CCOc1cc(C[NH2+]C2CCN(c3cccc(OC)c3)CC2)ccc1OCC(=O)N1CCCCC1 ZINC001318340166 1067024000 /nfs/dbraw/zinc/02/40/00/1067024000.db2.gz JBFJHRCTCCINQA-UHFFFAOYSA-N 1 0 481.637 4.244 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300688030 1067031841 /nfs/dbraw/zinc/03/18/41/1067031841.db2.gz SUNRSUUJHODCIA-MOPGFXCFSA-N 1 0 461.651 4.495 20 0 JIADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[NH+]2CCCCC2)cc1 ZINC001351032387 1067034764 /nfs/dbraw/zinc/03/47/64/1067034764.db2.gz ADGNANJNSVVQMG-YADHBBJMSA-N 1 0 459.949 4.324 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)C2)ccn1 ZINC001351117860 1067047909 /nfs/dbraw/zinc/04/79/09/1067047909.db2.gz QPUGVCGYITZZLK-RUZDIDTESA-N 1 0 498.631 4.237 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001318479723 1067047950 /nfs/dbraw/zinc/04/79/50/1067047950.db2.gz VEFJPRFOLKXSLL-CVDCTZTESA-N 1 0 485.650 4.400 20 0 JIADRO CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)NC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354714243 1067057410 /nfs/dbraw/zinc/05/74/10/1067057410.db2.gz WXGLPZFVOOHLID-UHFFFAOYSA-N 1 0 458.584 4.088 20 0 JIADRO Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc4c[nH+]cn4c3C)s2)c(C)c1 ZINC001351210430 1067059781 /nfs/dbraw/zinc/05/97/81/1067059781.db2.gz PDCMBRFIJGYOEP-UHFFFAOYSA-N 1 0 452.565 4.094 20 0 JIADRO COc1ccncc1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001300701563 1067061627 /nfs/dbraw/zinc/06/16/27/1067061627.db2.gz CTWAPQYJDZAFPM-UYAOXDASSA-N 1 0 451.571 4.333 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732209 1067067306 /nfs/dbraw/zinc/06/73/06/1067067306.db2.gz UYRVGCCIUOHQPW-AAIMPIBUSA-N 1 0 453.583 4.141 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC001319112410 1067067394 /nfs/dbraw/zinc/06/73/94/1067067394.db2.gz FXGMUYWQAKZFAL-UHFFFAOYSA-N 1 0 497.599 4.346 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC001351297701 1067072429 /nfs/dbraw/zinc/07/24/29/1067072429.db2.gz FCINGFFYOAUWPB-CQSZACIVSA-N 1 0 454.800 4.031 20 0 JIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738691 1067072864 /nfs/dbraw/zinc/07/28/64/1067072864.db2.gz WNSMXCMJOYTOGC-ZSGPHXLJSA-N 1 0 452.393 4.296 20 0 JIADRO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001492486913 1067081664 /nfs/dbraw/zinc/08/16/64/1067081664.db2.gz MJRHJKRWEJLEKT-UHFFFAOYSA-N 1 0 452.647 4.358 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001320102987 1067086181 /nfs/dbraw/zinc/08/61/81/1067086181.db2.gz OTYYHWZZUGEKRI-REWPJTCUSA-N 1 0 490.570 4.220 20 0 JIADRO CCn1c(SCC(=O)NC[C@@H]2CCC[N@H+](CC)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001320749232 1067092454 /nfs/dbraw/zinc/09/24/54/1067092454.db2.gz LXVHJYYXONTTQJ-AWEZNQCLSA-N 1 0 456.443 4.212 20 0 JIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001321425141 1067121975 /nfs/dbraw/zinc/12/19/75/1067121975.db2.gz HXPUDZBNSQHMHR-DEOSSOPVSA-N 1 0 464.635 4.258 20 0 JIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001321425804 1067124577 /nfs/dbraw/zinc/12/45/77/1067124577.db2.gz MMAGIUBJZSVDKC-HSZRJFAPSA-N 1 0 452.624 4.118 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001321580538 1067170228 /nfs/dbraw/zinc/17/02/28/1067170228.db2.gz JLPUTKDGZLUFTB-UHFFFAOYSA-N 1 0 474.630 4.171 20 0 JIADRO CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)[C@H]1c1cccc(C)c1 ZINC001351748874 1067189950 /nfs/dbraw/zinc/18/99/50/1067189950.db2.gz FEIXSDWIRZZEDO-RCZVLFRGSA-N 1 0 451.636 4.400 20 0 JIADRO C[NH+]1CCC2(CN(C(=S)Nc3c(F)cc(Br)cc3Br)C2)CC1 ZINC001200801418 1067201920 /nfs/dbraw/zinc/20/19/20/1067201920.db2.gz JFQJJWJZYCYVNL-UHFFFAOYSA-N 1 0 451.203 4.075 20 0 JIADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@@H](O)c1ccccc1F ZINC001200802006 1067205989 /nfs/dbraw/zinc/20/59/89/1067205989.db2.gz DNXKRACXKUZWEK-AEFFLSMTSA-N 1 0 459.299 4.049 20 0 JIADRO Cc1ccccc1Cc1nnc(N(Cc2ccco2)C(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001492578542 1067213707 /nfs/dbraw/zinc/21/37/07/1067213707.db2.gz MXKPOHYEBRYRJI-UHFFFAOYSA-N 1 0 451.615 4.296 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492549434 1067219692 /nfs/dbraw/zinc/21/96/92/1067219692.db2.gz ANHYRECIRNGUFK-VSKRKVRLSA-N 1 0 455.647 4.290 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 ZINC001321891438 1067224321 /nfs/dbraw/zinc/22/43/21/1067224321.db2.gz YRTRPHDRLLULDD-UHFFFAOYSA-N 1 0 458.400 4.187 20 0 JIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001322110509 1067253642 /nfs/dbraw/zinc/25/36/42/1067253642.db2.gz PEFCTZBNXFQNOO-UHFFFAOYSA-N 1 0 464.315 4.154 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1 ZINC001351998373 1067265716 /nfs/dbraw/zinc/26/57/16/1067265716.db2.gz SWMAXBRLGGCOKT-UHFFFAOYSA-N 1 0 457.328 4.247 20 0 JIADRO C[C@H](CNC(=O)c1c(Br)cccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352080745 1067282581 /nfs/dbraw/zinc/28/25/81/1067282581.db2.gz MNVBPXQKFMHYFP-CYBMUJFWSA-N 1 0 452.190 4.388 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N(CCc3ccccc3F)C3CCCC3)c2)CC1 ZINC001322425748 1067291091 /nfs/dbraw/zinc/29/10/91/1067291091.db2.gz PFSSQPFKRVZJCZ-UHFFFAOYSA-N 1 0 452.618 4.270 20 0 JIADRO CCc1ccc(-c2nc(C(=O)N3CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC3)cs2)cc1 ZINC001322435546 1067292154 /nfs/dbraw/zinc/29/21/54/1067292154.db2.gz BWHVPWHJKDHSDL-UHFFFAOYSA-N 1 0 470.683 4.460 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC001200820788 1067293744 /nfs/dbraw/zinc/29/37/44/1067293744.db2.gz APHAPKPLQZSORE-UHFFFAOYSA-N 1 0 458.628 4.392 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc(COCCOc3ccccc3)c2)CC1 ZINC001322480941 1067298733 /nfs/dbraw/zinc/29/87/33/1067298733.db2.gz YLERTKXPGWUSPT-UHFFFAOYSA-N 1 0 474.605 4.356 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC001322591263 1067304771 /nfs/dbraw/zinc/30/47/71/1067304771.db2.gz XTMVOBIJOQHKBK-UHFFFAOYSA-N 1 0 476.042 4.038 20 0 JIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001323040402 1067313376 /nfs/dbraw/zinc/31/33/76/1067313376.db2.gz RICUHDXUALUAIY-UHFFFAOYSA-N 1 0 452.002 4.384 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492552623 1067318499 /nfs/dbraw/zinc/31/84/99/1067318499.db2.gz BSKYOHWTGKXVNE-VYKTZEHYSA-N 1 0 499.700 4.181 20 0 JIADRO COc1ccc([C@@H](CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)[NH+]2CCCCC2)cc1 ZINC001352316039 1067330369 /nfs/dbraw/zinc/33/03/69/1067330369.db2.gz COZWHSQLOBZTED-HSZRJFAPSA-N 1 0 455.986 4.432 20 0 JIADRO C[C@@H](C[NH2+]Cc1ncc(I)s1)Oc1cccc(Br)c1 ZINC001200838326 1067330976 /nfs/dbraw/zinc/33/09/76/1067330976.db2.gz RBTDZSJYNPQQOJ-VIFPVBQESA-N 1 0 453.143 4.067 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(SC[C@@H]1CCC[N@@H+]1C)n(Cc1ccccc1Cl)c2=O ZINC001472918193 1067335414 /nfs/dbraw/zinc/33/54/14/1067335414.db2.gz GDCKYCHEKDLQBP-KRWDZBQOSA-N 1 0 457.983 4.071 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300000393 1067335919 /nfs/dbraw/zinc/33/59/19/1067335919.db2.gz CFWJODBSLFCWSK-CABCVRRESA-N 1 0 493.475 4.363 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300000907 1067337831 /nfs/dbraw/zinc/33/78/31/1067337831.db2.gz OENAUKDTMARUBN-HSZRJFAPSA-N 1 0 479.654 4.305 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001300782317 1067338629 /nfs/dbraw/zinc/33/86/29/1067338629.db2.gz LDYKJKMENOSOCQ-UHFFFAOYSA-N 1 0 466.630 4.384 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)CC1 ZINC001300782561 1067339531 /nfs/dbraw/zinc/33/95/31/1067339531.db2.gz NXPKEWLNGWWCAW-MRXNPFEDSA-N 1 0 482.456 4.366 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CCC(N(C)c3ccccc3)CC2)CC1 ZINC001300783911 1067343322 /nfs/dbraw/zinc/34/33/22/1067343322.db2.gz GFNWXFYTGHXDSU-UHFFFAOYSA-N 1 0 468.690 4.396 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300002520 1067343753 /nfs/dbraw/zinc/34/37/53/1067343753.db2.gz ONRWSXKWFUCXIW-NHCUHLMSSA-N 1 0 478.641 4.362 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001300786388 1067349017 /nfs/dbraw/zinc/34/90/17/1067349017.db2.gz QAPQXMPGGWZHHP-UHFFFAOYSA-N 1 0 459.610 4.089 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N(C)CCOc2ccccc2C)CC1 ZINC001300787531 1067351505 /nfs/dbraw/zinc/35/15/05/1067351505.db2.gz XFSQNGAGQGBBOA-XMMPIXPASA-N 1 0 485.673 4.233 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001300787523 1067351704 /nfs/dbraw/zinc/35/17/04/1067351704.db2.gz XCXGCNCQWCDKIT-FQEVSTJZSA-N 1 0 454.663 4.026 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300005130 1067351826 /nfs/dbraw/zinc/35/18/26/1067351826.db2.gz BPISENYKYARXEL-SFHVURJKSA-N 1 0 495.653 4.277 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N3CC[C@H](OCC(C)C)C3)CCCC2)CC1 ZINC001300787974 1067353085 /nfs/dbraw/zinc/35/30/85/1067353085.db2.gz XTIWZTLKRAAJRM-QHCPKHFHSA-N 1 0 461.695 4.152 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300005810 1067353385 /nfs/dbraw/zinc/35/33/85/1067353385.db2.gz JDPPSMWAOJMMNP-AVRWGWEMSA-N 1 0 452.603 4.397 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300007032 1067356722 /nfs/dbraw/zinc/35/67/22/1067356722.db2.gz WZEVMJZNEBRMQK-CJAUYULYSA-N 1 0 486.064 4.488 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(C)([NH+]2CCN(C(=S)Nc3ccccc3Cl)CC2)CC1 ZINC001200857631 1067367496 /nfs/dbraw/zinc/36/74/96/1067367496.db2.gz NMTDZZFZLNUTGC-UHFFFAOYSA-N 1 0 453.052 4.444 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300012963 1067368064 /nfs/dbraw/zinc/36/80/64/1067368064.db2.gz JDXYBQIRANRSEL-UHFFFAOYSA-N 1 0 473.662 4.478 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492580661 1067374607 /nfs/dbraw/zinc/37/46/07/1067374607.db2.gz JYLJYXZBQLKPQF-UHFFFAOYSA-N 1 0 494.728 4.430 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001300018301 1067381594 /nfs/dbraw/zinc/38/15/94/1067381594.db2.gz GEWDDHBYSRPWCH-UHFFFAOYSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC001300022935 1067390415 /nfs/dbraw/zinc/39/04/15/1067390415.db2.gz HHTYXQTYKMHUMF-OPYAIIAOSA-N 1 0 453.587 4.483 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300022962 1067391025 /nfs/dbraw/zinc/39/10/25/1067391025.db2.gz AGXJEHZNZJJIIW-HYBUGGRVSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300023552 1067392019 /nfs/dbraw/zinc/39/20/19/1067392019.db2.gz HLQBIFQQZWFOCR-HSALFYBXSA-N 1 0 473.687 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC001300023553 1067392197 /nfs/dbraw/zinc/39/21/97/1067392197.db2.gz HLQBIFQQZWFOCR-SLFFLAALSA-N 1 0 473.687 4.413 20 0 JIADRO CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001355229909 1067392555 /nfs/dbraw/zinc/39/25/55/1067392555.db2.gz IUHKCLNSICJBEW-LOSJGSFVSA-N 1 0 461.993 4.483 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1 ZINC001355235239 1067393207 /nfs/dbraw/zinc/39/32/07/1067393207.db2.gz BXLJCVAIXLBIGI-UHFFFAOYSA-N 1 0 452.780 4.426 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(C)c(Br)ccc2F)c1 ZINC001355235388 1067393264 /nfs/dbraw/zinc/39/32/64/1067393264.db2.gz FPSYPYFSXQBBCU-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027366 1067401786 /nfs/dbraw/zinc/40/17/86/1067401786.db2.gz MPNLIBBSRAXDCQ-OALUTQOASA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001300027373 1067402041 /nfs/dbraw/zinc/40/20/41/1067402041.db2.gz MVMMEKARCWVXSI-QFIPXVFZSA-N 1 0 497.587 4.098 20 0 JIADRO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001300027529 1067402413 /nfs/dbraw/zinc/40/24/13/1067402413.db2.gz RUDNDRWOFHARMS-UHFFFAOYSA-N 1 0 465.520 4.145 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300029233 1067411515 /nfs/dbraw/zinc/41/15/15/1067411515.db2.gz MGHXMHYOISRAOM-UHFFFAOYSA-N 1 0 479.547 4.033 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300032481 1067427688 /nfs/dbraw/zinc/42/76/88/1067427688.db2.gz GKRUDGDUAHUKGE-IMSXRSKXSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032958 1067429752 /nfs/dbraw/zinc/42/97/52/1067429752.db2.gz JTFAOLCINITDJL-UNMCSNQZSA-N 1 0 485.673 4.192 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001300033918 1067435339 /nfs/dbraw/zinc/43/53/39/1067435339.db2.gz OHFXJAYTMNJKKF-MHECFPHRSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001300033917 1067435406 /nfs/dbraw/zinc/43/54/06/1067435406.db2.gz OHFXJAYTMNJKKF-KOSHJBKYSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300034406 1067437307 /nfs/dbraw/zinc/43/73/07/1067437307.db2.gz YENRVMLJNVRKMD-NRFANRHFSA-N 1 0 468.690 4.100 20 0 JIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC001355375935 1067437869 /nfs/dbraw/zinc/43/78/69/1067437869.db2.gz ORJIPKHRABPBHV-HNNXBMFYSA-N 1 0 450.343 4.008 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC(=O)N4CCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300037836 1067448609 /nfs/dbraw/zinc/44/86/09/1067448609.db2.gz FEAIDVAAHCTGDM-DEOSSOPVSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCOC(C)C)cc1 ZINC001300040303 1067460717 /nfs/dbraw/zinc/46/07/17/1067460717.db2.gz KTXVPCSGEZMLLC-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300042394 1067479381 /nfs/dbraw/zinc/47/93/81/1067479381.db2.gz ZFDUXCVTEDKXMI-UHFFFAOYSA-N 1 0 484.389 4.436 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2(SC)CCC2)c(OC)c1 ZINC001300043647 1067483257 /nfs/dbraw/zinc/48/32/57/1067483257.db2.gz HLQKXSGQLOECTF-UHFFFAOYSA-N 1 0 459.660 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001300044297 1067487839 /nfs/dbraw/zinc/48/78/39/1067487839.db2.gz OESZQOPNHLLYPT-PMACEKPBSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c(OC)c1 ZINC001300044300 1067488056 /nfs/dbraw/zinc/48/80/56/1067488056.db2.gz OESZQOPNHLLYPT-WOJBJXKFSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300045383 1067492858 /nfs/dbraw/zinc/49/28/58/1067492858.db2.gz DONSVIKBERNDRA-DNQXCXABSA-N 1 0 455.647 4.325 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001355519166 1067497254 /nfs/dbraw/zinc/49/72/54/1067497254.db2.gz RQYCXYCBFFZRCF-ILBGXUMGSA-N 1 0 468.041 4.102 20 0 JIADRO CN1C(=O)C[C@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001355525080 1067499211 /nfs/dbraw/zinc/49/92/11/1067499211.db2.gz GHLLFZJVDLZMHI-UWJYYQICSA-N 1 0 450.366 4.092 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300051223 1067513557 /nfs/dbraw/zinc/51/35/57/1067513557.db2.gz DSSNTBZLMCUHEU-IBVKSMDESA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300051155 1067514091 /nfs/dbraw/zinc/51/40/91/1067514091.db2.gz CTEJGZWJIZPBQL-FQRUVTKNSA-N 1 0 471.646 4.232 20 0 JIADRO C[NH+]1CCN(C[C@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001352553459 1067517469 /nfs/dbraw/zinc/51/74/69/1067517469.db2.gz IJJGAMKLZYZMBB-LDVBQKTRSA-N 1 0 451.920 4.391 20 0 JIADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c2ccccc2)CC1 ZINC001352554474 1067521188 /nfs/dbraw/zinc/52/11/88/1067521188.db2.gz NCPZCTKDOVUOCO-XMMPIXPASA-N 1 0 451.517 4.476 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001300052117 1067521242 /nfs/dbraw/zinc/52/12/42/1067521242.db2.gz VNGWDTJENOQAFV-IBVKSMDESA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300052500 1067523790 /nfs/dbraw/zinc/52/37/90/1067523790.db2.gz YKVFKTMJMKZFMJ-VWLOTQADSA-N 1 0 459.635 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300053886 1067529290 /nfs/dbraw/zinc/52/92/90/1067529290.db2.gz LYOPBBUGMHGMLL-VXKWHMMOSA-N 1 0 496.700 4.064 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054090 1067529632 /nfs/dbraw/zinc/52/96/32/1067529632.db2.gz OZQJZUZOJRGKBU-FCHUYYIVSA-N 1 0 495.672 4.056 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2C[C@H](C)OC)cc1OC ZINC001300054316 1067531047 /nfs/dbraw/zinc/53/10/47/1067531047.db2.gz SPMIUZXOUPIFEV-LEWJYISDSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2C[C@@H](C)OC)cc1OC ZINC001300054318 1067531712 /nfs/dbraw/zinc/53/17/12/1067531712.db2.gz SPMIUZXOUPIFEV-RTWAWAEBSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001300056931 1067542580 /nfs/dbraw/zinc/54/25/80/1067542580.db2.gz PCXNQAZVNMQXPB-MJGOQNOKSA-N 1 0 492.462 4.063 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1OC ZINC001200077330 1067544022 /nfs/dbraw/zinc/54/40/22/1067544022.db2.gz PTMBCXBPLNGSKE-RUZDIDTESA-N 1 0 457.615 4.000 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300057097 1067544093 /nfs/dbraw/zinc/54/40/93/1067544093.db2.gz SJTXVXIYODZZSY-QFIPXVFZSA-N 1 0 496.700 4.207 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCNC(=O)C(C)C ZINC001492584074 1067555578 /nfs/dbraw/zinc/55/55/78/1067555578.db2.gz CVHNHGXWQCNJDI-DEOSSOPVSA-N 1 0 480.701 4.042 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300060059 1067557305 /nfs/dbraw/zinc/55/73/05/1067557305.db2.gz SNOTYRUDWLIYBU-FQEVSTJZSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300060256 1067557944 /nfs/dbraw/zinc/55/79/44/1067557944.db2.gz NLBGXELUDCJYCK-ZRCGQRJVSA-N 1 0 455.647 4.466 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300060243 1067558142 /nfs/dbraw/zinc/55/81/42/1067558142.db2.gz UPWMHGIWOICXHW-HXUWFJFHSA-N 1 0 473.687 4.416 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001355717138 1067561303 /nfs/dbraw/zinc/56/13/03/1067561303.db2.gz VYRDPSKEKUDXMD-SJORKVTESA-N 1 0 453.027 4.360 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492584003 1067568080 /nfs/dbraw/zinc/56/80/80/1067568080.db2.gz AVRZLQPTYIOTGR-REWPJTCUSA-N 1 0 497.631 4.162 20 0 JIADRO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC001300063037 1067571670 /nfs/dbraw/zinc/57/16/70/1067571670.db2.gz MWHIICFMMNLTIP-UNVFRBQDSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001300064549 1067575693 /nfs/dbraw/zinc/57/56/93/1067575693.db2.gz BTFMLSYSDPHRBR-GOSISDBHSA-N 1 0 481.563 4.091 20 0 JIADRO COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCCCOC(C)C)cc1 ZINC001300070917 1067591793 /nfs/dbraw/zinc/59/17/93/1067591793.db2.gz NVQSCJYJEUMQJD-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2cccnc2)cc1Br ZINC001300075757 1067602493 /nfs/dbraw/zinc/60/24/93/1067602493.db2.gz OPKOHGGSTVHPFW-UHFFFAOYSA-N 1 0 499.457 4.132 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300076460 1067603485 /nfs/dbraw/zinc/60/34/85/1067603485.db2.gz GLVWSQXHHFEPCL-VWNXMTODSA-N 1 0 485.673 4.334 20 0 JIADRO C[Si](C)(C)c1ccc(CC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC001355913886 1067607793 /nfs/dbraw/zinc/60/77/93/1067607793.db2.gz QCOMKDPEILRDEO-UHFFFAOYSA-N 1 0 458.682 4.130 20 0 JIADRO CCNC(=O)COc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001356001868 1067628541 /nfs/dbraw/zinc/62/85/41/1067628541.db2.gz ODALWHIRXWIYBK-GGXMVOPNSA-N 1 0 471.601 4.230 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)cc1OC ZINC001300086898 1067631487 /nfs/dbraw/zinc/63/14/87/1067631487.db2.gz CZCLIIKNGLXIIO-IBGZPJMESA-N 1 0 461.676 4.413 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300087217 1067632177 /nfs/dbraw/zinc/63/21/77/1067632177.db2.gz GTHWOCCWZNFUQC-GOSISDBHSA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[NH+]2CCCCC2)cc1Br ZINC001300090818 1067647639 /nfs/dbraw/zinc/64/76/39/1067647639.db2.gz XWXWQGRBEOAIDE-MRXNPFEDSA-N 1 0 480.476 4.144 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001356076165 1067651680 /nfs/dbraw/zinc/65/16/80/1067651680.db2.gz DYJLYQZMDNEEOZ-UHFFFAOYSA-N 1 0 451.954 4.429 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cccn3C)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300095436 1067658525 /nfs/dbraw/zinc/65/85/25/1067658525.db2.gz VNQFJKDGVKXNHF-HXUWFJFHSA-N 1 0 466.630 4.230 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300096512 1067660670 /nfs/dbraw/zinc/66/06/70/1067660670.db2.gz KFAZISXHWLCRLS-JAXLGGSGSA-N 1 0 469.674 4.466 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001300099269 1067670274 /nfs/dbraw/zinc/67/02/74/1067670274.db2.gz VLIRCLOIDHFESW-ISKFKSNPSA-N 1 0 469.674 4.454 20 0 JIADRO COc1ccc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC001300099635 1067672089 /nfs/dbraw/zinc/67/20/89/1067672089.db2.gz YMVOECJAUDWFOI-UHFFFAOYSA-N 1 0 482.673 4.073 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)C1 ZINC001200124676 1067690467 /nfs/dbraw/zinc/69/04/67/1067690467.db2.gz ADXCJIRIZWJFBE-QGZVFWFLSA-N 1 0 494.057 4.245 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)cc1OC ZINC001300108111 1067703159 /nfs/dbraw/zinc/70/31/59/1067703159.db2.gz LZEYDLGFLUDJHM-HXUWFJFHSA-N 1 0 455.647 4.047 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC001300109158 1067707254 /nfs/dbraw/zinc/70/72/54/1067707254.db2.gz XYEPPXSMPQAWCL-JOCHJYFZSA-N 1 0 493.700 4.200 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300113683 1067719031 /nfs/dbraw/zinc/71/90/31/1067719031.db2.gz MDKXWMUSCVPIME-RASJMTDNSA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300114058 1067720508 /nfs/dbraw/zinc/72/05/08/1067720508.db2.gz PJZUQGLJGAZCSI-FCHUYYIVSA-N 1 0 469.674 4.340 20 0 JIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327161 1067724778 /nfs/dbraw/zinc/72/47/78/1067724778.db2.gz DEXASMMRLXOYGX-TZMCWYRMSA-N 1 0 456.274 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300117656 1067728957 /nfs/dbraw/zinc/72/89/57/1067728957.db2.gz OGNDRYJMCNNYMI-RCZVLFRGSA-N 1 0 469.674 4.055 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCOC(C)(C)C)cc1 ZINC001300118762 1067731783 /nfs/dbraw/zinc/73/17/83/1067731783.db2.gz GOAYOJRAEVNJBW-HSZRJFAPSA-N 1 0 469.674 4.199 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001300120489 1067737727 /nfs/dbraw/zinc/73/77/27/1067737727.db2.gz QWARSKFETSYFEY-NVQXNPDNSA-N 1 0 469.674 4.100 20 0 JIADRO CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC001356377460 1067739146 /nfs/dbraw/zinc/73/91/46/1067739146.db2.gz GOWZZKFWBJWCPF-UHFFFAOYSA-N 1 0 456.608 4.251 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300121306 1067739354 /nfs/dbraw/zinc/73/93/54/1067739354.db2.gz XMQZGFGLDBASQO-UHFFFAOYSA-N 1 0 488.474 4.437 20 0 JIADRO COc1ccc(CCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300126321 1067753329 /nfs/dbraw/zinc/75/33/29/1067753329.db2.gz LPVYVMQRDHDTFE-XPWALMASSA-N 1 0 483.701 4.444 20 0 JIADRO Cc1ccc(NC(=S)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c(Br)c1 ZINC001200146827 1067756140 /nfs/dbraw/zinc/75/61/40/1067756140.db2.gz FITIQZRVBUICBB-UHFFFAOYSA-N 1 0 489.483 4.464 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300127767 1067759532 /nfs/dbraw/zinc/75/95/32/1067759532.db2.gz AQHDNIKTYSGIAH-URXFXBBRSA-N 1 0 471.715 4.382 20 0 JIADRO COC(=O)c1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC001356483845 1067761493 /nfs/dbraw/zinc/76/14/93/1067761493.db2.gz FRWYKRNSEZWLQK-UHFFFAOYSA-N 1 0 455.624 4.345 20 0 JIADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001356492151 1067763141 /nfs/dbraw/zinc/76/31/41/1067763141.db2.gz PAEQUTOSMKUJSJ-OAQYLSRUSA-N 1 0 459.384 4.421 20 0 JIADRO CSc1ccc(N2C[C@H](C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502156 1067765085 /nfs/dbraw/zinc/76/50/85/1067765085.db2.gz NJDZDKMSSBABBF-ILWGZMRPSA-N 1 0 451.636 4.178 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Cc2coc3cc(OC)ccc23)ccc1Cl ZINC001356553362 1067776642 /nfs/dbraw/zinc/77/66/42/1067776642.db2.gz FUQMVSDVSHVGBO-UHFFFAOYSA-N 1 0 457.958 4.348 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1Cl ZINC001356555126 1067777376 /nfs/dbraw/zinc/77/73/76/1067777376.db2.gz OMAXZMOLSFBANM-UHFFFAOYSA-N 1 0 458.990 4.258 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001352871781 1067777934 /nfs/dbraw/zinc/77/79/34/1067777934.db2.gz DGOUJTXOYBSKIH-UHFFFAOYSA-N 1 0 452.427 4.373 20 0 JIADRO COc1ccc([C@@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000849055909 1067786375 /nfs/dbraw/zinc/78/63/75/1067786375.db2.gz KRBMGWVCDMZFLL-YCRPNKLZSA-N 1 0 451.398 4.250 20 0 JIADRO COc1ccc2c(C)c(CCC(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)c(=O)oc2c1 ZINC000849056223 1067787412 /nfs/dbraw/zinc/78/74/12/1067787412.db2.gz BVQYSEBHXRGDDC-QHCPKHFHSA-N 1 0 464.562 4.005 20 0 JIADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000849066109 1067795562 /nfs/dbraw/zinc/79/55/62/1067795562.db2.gz YDWOYSMWLLVWST-CQSZACIVSA-N 1 0 457.427 4.196 20 0 JIADRO [NH2+]=C(NCCCN1CCOCC1)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000849074255 1067797155 /nfs/dbraw/zinc/79/71/55/1067797155.db2.gz LQQPWPZAGGHAIK-UHFFFAOYSA-N 1 0 472.458 4.112 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC001300149778 1067805462 /nfs/dbraw/zinc/80/54/62/1067805462.db2.gz QCRKZQBESDAXCI-LJQANCHMSA-N 1 0 476.463 4.165 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)cc1OC ZINC001357115760 1067805941 /nfs/dbraw/zinc/80/59/41/1067805941.db2.gz FZNUHHXTQORWKK-UHFFFAOYSA-N 1 0 456.974 4.083 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2cccc(CS(C)(=O)=O)c2)c1 ZINC001357137987 1067809209 /nfs/dbraw/zinc/80/92/09/1067809209.db2.gz OUGFPFNLICSDLD-IZZNHLLZSA-N 1 0 462.615 4.394 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC(F)F ZINC001300161152 1067816329 /nfs/dbraw/zinc/81/63/29/1067816329.db2.gz TYQVAMIRAOAAON-QGZVFWFLSA-N 1 0 451.562 4.380 20 0 JIADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccn(-c4cc(F)cc(F)c4)n3)cc2)C[C@H](C)O1 ZINC001300162608 1067818135 /nfs/dbraw/zinc/81/81/35/1067818135.db2.gz JIJYSEFZBKPRRV-HDICACEKSA-N 1 0 454.521 4.032 20 0 JIADRO COc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC001300163089 1067819271 /nfs/dbraw/zinc/81/92/71/1067819271.db2.gz SYJWRLAZPUZOHF-KDURUIRLSA-N 1 0 456.558 4.065 20 0 JIADRO O=C(NCc1ccccc1Br)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001352967038 1067821837 /nfs/dbraw/zinc/82/18/37/1067821837.db2.gz YTQUKVSVFMQTNQ-RTBURBONSA-N 1 0 456.409 4.438 20 0 JIADRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001357245392 1067823497 /nfs/dbraw/zinc/82/34/97/1067823497.db2.gz CKTDHASHFMXBRQ-OSPHWJPCSA-N 1 0 453.537 4.227 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1O ZINC001300165868 1067824111 /nfs/dbraw/zinc/82/41/11/1067824111.db2.gz ICLLOWYTJPCYBZ-WOJBJXKFSA-N 1 0 478.641 4.367 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492585089 1067824409 /nfs/dbraw/zinc/82/44/09/1067824409.db2.gz XPQHFFSZGNGOBK-DEOSSOPVSA-N 1 0 494.728 4.288 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001300169333 1067827410 /nfs/dbraw/zinc/82/74/10/1067827410.db2.gz DWRWMUGXCCTODG-GGAORHGYSA-N 1 0 455.647 4.390 20 0 JIADRO COc1cc[nH+]c(N2CCN(C(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)CC2)c1 ZINC001352998005 1067830348 /nfs/dbraw/zinc/83/03/48/1067830348.db2.gz ZQWRHFTZBSSTFX-UHFFFAOYSA-N 1 0 458.534 4.118 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300174361 1067833797 /nfs/dbraw/zinc/83/37/97/1067833797.db2.gz SHZJPNRSBYGMSV-FPOVZHCZSA-N 1 0 459.610 4.078 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC001300176107 1067835443 /nfs/dbraw/zinc/83/54/43/1067835443.db2.gz HGGWYAXQPSMUIO-OAQYLSRUSA-N 1 0 462.642 4.339 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300176263 1067836004 /nfs/dbraw/zinc/83/60/04/1067836004.db2.gz NDEOEFUXNCOPHG-JIPXPUAJSA-N 1 0 462.642 4.419 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001300180391 1067843306 /nfs/dbraw/zinc/84/33/06/1067843306.db2.gz NRDQUMWTAKEZNM-OYRHEFFESA-N 1 0 493.700 4.461 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001300180809 1067843870 /nfs/dbraw/zinc/84/38/70/1067843870.db2.gz SUDGXPPXIIENKR-QHCPKHFHSA-N 1 0 479.673 4.214 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC001300180861 1067843927 /nfs/dbraw/zinc/84/39/27/1067843927.db2.gz VUYXXPOJKPYIKI-QFIPXVFZSA-N 1 0 455.647 4.482 20 0 JIADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001357410508 1067845538 /nfs/dbraw/zinc/84/55/38/1067845538.db2.gz YWRCGCIFINPTKM-OAHLLOKOSA-N 1 0 458.525 4.041 20 0 JIADRO COCCc1ccc(OC[C@@H](O)CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC001473277694 1067854291 /nfs/dbraw/zinc/85/42/91/1067854291.db2.gz MRGPUEOTCJDLLS-SANMLTNESA-N 1 0 452.639 4.136 20 0 JIADRO COc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001300192303 1067857913 /nfs/dbraw/zinc/85/79/13/1067857913.db2.gz XLRRLLQUHJXTFO-UHFFFAOYSA-N 1 0 487.446 4.070 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(OC)c1OC ZINC001300194430 1067860807 /nfs/dbraw/zinc/86/08/07/1067860807.db2.gz VFJPKGHROJBKCO-UHFFFAOYSA-N 1 0 497.640 4.477 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001200222065 1067864472 /nfs/dbraw/zinc/86/44/72/1067864472.db2.gz OZEKADVUJHRSJC-UHFFFAOYSA-N 1 0 462.461 4.113 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001357541903 1067867105 /nfs/dbraw/zinc/86/71/05/1067867105.db2.gz CXCGLAKACVMYKT-QGZVFWFLSA-N 1 0 453.027 4.314 20 0 JIADRO Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc(C(=O)OC(C)(C)C)c1 ZINC001357579643 1067873938 /nfs/dbraw/zinc/87/39/38/1067873938.db2.gz YQLDGXGBERPMBI-GOSISDBHSA-N 1 0 455.574 4.332 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC1([NH+](C)C)CCCCC1 ZINC001492558014 1067874277 /nfs/dbraw/zinc/87/42/77/1067874277.db2.gz FOIGVUHCGYQIDU-UHFFFAOYSA-N 1 0 472.588 4.011 20 0 JIADRO COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(OC)c1 ZINC001300208700 1067880380 /nfs/dbraw/zinc/88/03/80/1067880380.db2.gz SQKPVPMHQJEDCD-QFIPXVFZSA-N 1 0 471.646 4.143 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(I)cc3)C[C@H]21 ZINC001473302220 1067885946 /nfs/dbraw/zinc/88/59/46/1067885946.db2.gz MMUCNDZLNJGCRA-CGTJXYLNSA-N 1 0 456.368 4.416 20 0 JIADRO COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(F)c1 ZINC001300217958 1067888982 /nfs/dbraw/zinc/88/89/82/1067888982.db2.gz KVCORGQWYUGHKR-UHFFFAOYSA-N 1 0 466.605 4.018 20 0 JIADRO C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357779641 1067898651 /nfs/dbraw/zinc/89/86/51/1067898651.db2.gz IBEQGPIOKYYTSA-OYDLWJJNSA-N 1 0 451.611 4.322 20 0 JIADRO C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H]1C ZINC001357784296 1067899583 /nfs/dbraw/zinc/89/95/83/1067899583.db2.gz BBWIYJPGDSPBLY-WOIUINJBSA-N 1 0 453.583 4.218 20 0 JIADRO COc1ccc(CN2CCN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)cc1F ZINC001300229914 1067904123 /nfs/dbraw/zinc/90/41/23/1067904123.db2.gz AURFIZOMWYTKOT-UHFFFAOYSA-N 1 0 472.653 4.136 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300237138 1067931830 /nfs/dbraw/zinc/93/18/30/1067931830.db2.gz GEMHHILHIQRMFE-RTBURBONSA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300237951 1067936006 /nfs/dbraw/zinc/93/60/06/1067936006.db2.gz VDAVPGLBOZFQAL-GHTZIAJQSA-N 1 0 464.054 4.447 20 0 JIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)C[C@H]1C ZINC001357906666 1067937568 /nfs/dbraw/zinc/93/75/68/1067937568.db2.gz PYQRSPYEIGOJQH-KDURUIRLSA-N 1 0 451.542 4.420 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300242020 1067955722 /nfs/dbraw/zinc/95/57/22/1067955722.db2.gz ODWQVPYEAGMGQF-UHFFFAOYSA-N 1 0 460.047 4.419 20 0 JIADRO CCCN(C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357959152 1067959704 /nfs/dbraw/zinc/95/97/04/1067959704.db2.gz GHJNJHUBADWBDA-HXUWFJFHSA-N 1 0 453.587 4.340 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001200286028 1067960668 /nfs/dbraw/zinc/96/06/68/1067960668.db2.gz CHWYXQMJGXXCJA-UHFFFAOYSA-N 1 0 452.661 4.037 20 0 JIADRO C[NH+](C)CCOc1cc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)ccn1 ZINC001357979215 1067968856 /nfs/dbraw/zinc/96/88/56/1067968856.db2.gz XIEMLXPQPNAEAI-UHFFFAOYSA-N 1 0 451.914 4.373 20 0 JIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358039337 1068000139 /nfs/dbraw/zinc/00/01/39/1068000139.db2.gz LWZDVRUBAQORLA-PZVFOTJXSA-N 1 0 451.876 4.060 20 0 JIADRO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCCCCC1 ZINC001358071898 1068008884 /nfs/dbraw/zinc/00/88/84/1068008884.db2.gz DDYULWPYSMISNZ-HXUWFJFHSA-N 1 0 457.615 4.005 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2C)CC1 ZINC001358077567 1068012255 /nfs/dbraw/zinc/01/22/55/1068012255.db2.gz MXRCOOUFYPNCOY-GOSISDBHSA-N 1 0 453.537 4.092 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001300261050 1068024465 /nfs/dbraw/zinc/02/44/65/1068024465.db2.gz MDJBGYUKFLUHIS-UHFFFAOYSA-N 1 0 485.032 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300263754 1068030908 /nfs/dbraw/zinc/03/09/08/1068030908.db2.gz OHWHJTYZZTUPER-RTBURBONSA-N 1 0 484.670 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263828 1068030985 /nfs/dbraw/zinc/03/09/85/1068030985.db2.gz RBJHRIBGANFQLG-HXUWFJFHSA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300263799 1068031224 /nfs/dbraw/zinc/03/12/24/1068031224.db2.gz QENRGJHFTNHBME-UHFFFAOYSA-N 1 0 477.600 4.469 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300264450 1068033075 /nfs/dbraw/zinc/03/30/75/1068033075.db2.gz FXFFCJYBDFLJNC-FQEVSTJZSA-N 1 0 495.672 4.055 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300264921 1068034250 /nfs/dbraw/zinc/03/42/50/1068034250.db2.gz MOBQCEYRLVIFGG-VGSWGCGISA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300265436 1068035740 /nfs/dbraw/zinc/03/57/40/1068035740.db2.gz VBSWGQGVJPFLOB-NULCOVKLSA-N 1 0 485.673 4.380 20 0 JIADRO Cc1cc2cc(C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)oc2c(Br)c1 ZINC001358209914 1068044459 /nfs/dbraw/zinc/04/44/59/1068044459.db2.gz CPDQCFMELKEJQS-UHFFFAOYSA-N 1 0 458.312 4.226 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300269215 1068045175 /nfs/dbraw/zinc/04/51/75/1068045175.db2.gz JFCYCJXVASTARF-RXVVDRJESA-N 1 0 499.578 4.141 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001492564292 1068051913 /nfs/dbraw/zinc/05/19/13/1068051913.db2.gz CTXWYCWIUHSYAC-CTNGQTDRSA-N 1 0 480.613 4.253 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(OCCC(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001492564318 1068052270 /nfs/dbraw/zinc/05/22/70/1068052270.db2.gz DRSRIKCVUQQZFZ-UHFFFAOYSA-N 1 0 469.674 4.132 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360431 1068059921 /nfs/dbraw/zinc/05/99/21/1068059921.db2.gz OWOOQLOZOXIASH-RTWAWAEBSA-N 1 0 457.384 4.129 20 0 JIADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=Cc2cc(Br)ccc2OC1 ZINC001353366947 1068064164 /nfs/dbraw/zinc/06/41/64/1068064164.db2.gz XCSUXNFCJABANT-UHFFFAOYSA-N 1 0 451.430 4.093 20 0 JIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)[C@@H](C)C1 ZINC001353377291 1068070611 /nfs/dbraw/zinc/07/06/11/1068070611.db2.gz UYGYOXQXFGEWKN-PZJWPPBQSA-N 1 0 452.624 4.468 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300280718 1068071861 /nfs/dbraw/zinc/07/18/61/1068071861.db2.gz IDGMMHQHGCTMHO-JPYJTQIMSA-N 1 0 463.573 4.222 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)cc2F)CC1 ZINC001358364851 1068075679 /nfs/dbraw/zinc/07/56/79/1068075679.db2.gz GUXMEKXIFPPYRN-UHFFFAOYSA-N 1 0 454.590 4.271 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nnc(Cc2ccccc2F)s1)c1cccc(OC)c1 ZINC001200330881 1068093744 /nfs/dbraw/zinc/09/37/44/1068093744.db2.gz VAQURGXEIJXAMF-HXUWFJFHSA-N 1 0 457.575 4.481 20 0 JIADRO COC(=O)Nc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccc1F ZINC001358456031 1068095181 /nfs/dbraw/zinc/09/51/81/1068095181.db2.gz CUPJZEWXQNASKL-UHFFFAOYSA-N 1 0 456.518 4.461 20 0 JIADRO CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358471228 1068098864 /nfs/dbraw/zinc/09/88/64/1068098864.db2.gz YNWWWSJXYQCOLE-IBGZPJMESA-N 1 0 455.352 4.292 20 0 JIADRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001200347361 1068171421 /nfs/dbraw/zinc/17/14/21/1068171421.db2.gz WOEWJIZAHUQPIW-GOSISDBHSA-N 1 0 452.002 4.291 20 0 JIADRO CN1CCC([NH+]2CCC(NC(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)CC1 ZINC000497450915 1068185853 /nfs/dbraw/zinc/18/58/53/1068185853.db2.gz HOKQVFZDAYJTQR-UHFFFAOYSA-N 1 0 455.653 4.390 20 0 JIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001353483170 1068190746 /nfs/dbraw/zinc/19/07/46/1068190746.db2.gz RXJJIZFNEJIQSA-UHFFFAOYSA-N 1 0 459.590 4.388 20 0 JIADRO COc1ccc2c(c1)C(CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)=CC2 ZINC001300318429 1068221563 /nfs/dbraw/zinc/22/15/63/1068221563.db2.gz JQANJTPLXRNSAS-UHFFFAOYSA-N 1 0 494.684 4.013 20 0 JIADRO CC[NH+]1CCN(Cc2ccc(NC(=S)NCc3ccc(OC)cc3)cc2C(F)(F)F)CC1 ZINC001200362417 1068246011 /nfs/dbraw/zinc/24/60/11/1068246011.db2.gz NJFUVTFLRJXBNM-UHFFFAOYSA-N 1 0 466.573 4.338 20 0 JIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C3(C)C)cs2)cc1 ZINC001473597679 1068264352 /nfs/dbraw/zinc/26/43/52/1068264352.db2.gz MHNUPXILAYYUDQ-RTBURBONSA-N 1 0 458.628 4.414 20 0 JIADRO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000612990345 1068280629 /nfs/dbraw/zinc/28/06/29/1068280629.db2.gz QSSRPYGZLCXDPR-UHFFFAOYSA-N 1 0 458.588 4.151 20 0 JIADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C)n3Cc3ccc(OC(C)(C)C)nc3)CC2)c1 ZINC001300332356 1068282614 /nfs/dbraw/zinc/28/26/14/1068282614.db2.gz LAKYNMLWRSCWFU-LJQANCHMSA-N 1 0 464.614 4.099 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)s2)cc1 ZINC000518166353 1068303313 /nfs/dbraw/zinc/30/33/13/1068303313.db2.gz XECHPNKMYZRIHJ-UHFFFAOYSA-N 1 0 495.649 4.249 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(CC(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC001300334900 1068304438 /nfs/dbraw/zinc/30/44/38/1068304438.db2.gz KNFYKNAVAYHOFF-XMMPIXPASA-N 1 0 465.646 4.395 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C)[C@@H]2C)[NH+](C)C)c1 ZINC001300338544 1068317049 /nfs/dbraw/zinc/31/70/49/1068317049.db2.gz CKMVNMDAMYGINA-YYDVJCTNSA-N 1 0 466.655 4.290 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[NH+](C)C)c1 ZINC001300338989 1068318577 /nfs/dbraw/zinc/31/85/77/1068318577.db2.gz FWNPDQLAEBFSIH-CVDCTZTESA-N 1 0 498.672 4.303 20 0 JIADRO COc1cccc([C@H](Cn2c(Cc3cccnc3)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300338995 1068318679 /nfs/dbraw/zinc/31/86/79/1068318679.db2.gz GAILHQRGRXGXKZ-QFIPXVFZSA-N 1 0 486.542 4.274 20 0 JIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC001200379637 1068322955 /nfs/dbraw/zinc/32/29/55/1068322955.db2.gz XFJUKLWUFNZYIH-OAHLLOKOSA-N 1 0 459.388 4.204 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC([C@@H]4CCOC4)CC3)nnc2C(C)(C)C)[NH+](C)C)c1 ZINC001300341494 1068328299 /nfs/dbraw/zinc/32/82/99/1068328299.db2.gz RSTABMABUNPHTP-FYYLOGMGSA-N 1 0 455.647 4.140 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001300342519 1068331935 /nfs/dbraw/zinc/33/19/35/1068331935.db2.gz CDXNVOVMEXPNOL-IBGZPJMESA-N 1 0 474.403 4.286 20 0 JIADRO COc1cccc(Nc2nnc(SCC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)s2)c1 ZINC000524513405 1068353347 /nfs/dbraw/zinc/35/33/47/1068353347.db2.gz DCQDSSBBBKXDOI-UHFFFAOYSA-N 1 0 483.663 4.425 20 0 JIADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000620604842 1068356828 /nfs/dbraw/zinc/35/68/28/1068356828.db2.gz KWLPCZAUURGBHA-UHFFFAOYSA-N 1 0 464.620 4.178 20 0 JIADRO COc1cccc2c1CCC[C@H]([NH2+]C1CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC1)C2 ZINC001474154263 1068362641 /nfs/dbraw/zinc/36/26/41/1068362641.db2.gz UTUGALGOYZGPED-CVDCTZTESA-N 1 0 456.652 4.161 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001300359525 1068382717 /nfs/dbraw/zinc/38/27/17/1068382717.db2.gz BOLLEHPDULJYKG-CTNGQTDRSA-N 1 0 455.628 4.179 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001300359479 1068382797 /nfs/dbraw/zinc/38/27/97/1068382797.db2.gz APMBQVCEHYSTBC-QFIPXVFZSA-N 1 0 496.700 4.159 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001300359828 1068384084 /nfs/dbraw/zinc/38/40/84/1068384084.db2.gz HKKKELDXDGAVFO-NZQKXSOJSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 ZINC001200400377 1068390816 /nfs/dbraw/zinc/39/08/16/1068390816.db2.gz IGSYWMFMRZDJMD-OAQYLSRUSA-N 1 0 450.366 4.387 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001300362728 1068393701 /nfs/dbraw/zinc/39/37/01/1068393701.db2.gz SBUBRVGIBRYJPC-QHCPKHFHSA-N 1 0 495.590 4.358 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2nc(C)cs2)c1 ZINC001300370363 1068420152 /nfs/dbraw/zinc/42/01/52/1068420152.db2.gz YLDPWWAYQRKGFN-UHFFFAOYSA-N 1 0 454.644 4.324 20 0 JIADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001353673416 1068427593 /nfs/dbraw/zinc/42/75/93/1068427593.db2.gz FYFPXMVWHXQFIT-DFSFMLJYSA-N 1 0 456.395 4.019 20 0 JIADRO Cc1cccc(C(C)C)c1NC(=S)N[C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001200410807 1068433445 /nfs/dbraw/zinc/43/34/45/1068433445.db2.gz NHVKKNULLFJPCN-NRFANRHFSA-N 1 0 452.668 4.220 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001300378231 1068459735 /nfs/dbraw/zinc/45/97/35/1068459735.db2.gz ZZGKGUAPDQAAOC-GGPKGHCWSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001300378982 1068463081 /nfs/dbraw/zinc/46/30/81/1068463081.db2.gz QXQNQEVEKYYFLY-BVAGGSTKSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300389113 1068500764 /nfs/dbraw/zinc/50/07/64/1068500764.db2.gz NFTQQJRHYZOKKL-UHFFFAOYSA-N 1 0 482.673 4.054 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300393735 1068519373 /nfs/dbraw/zinc/51/93/73/1068519373.db2.gz CNZQDKWBAIZILY-IRLDBZIGSA-N 1 0 497.644 4.014 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001353736452 1068529533 /nfs/dbraw/zinc/52/95/33/1068529533.db2.gz ZXDNEDIPTHDDOH-GOSISDBHSA-N 1 0 451.901 4.273 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300395758 1068532131 /nfs/dbraw/zinc/53/21/31/1068532131.db2.gz SWLVKMGUGJWREU-URXFXBBRSA-N 1 0 485.673 4.094 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300396167 1068534446 /nfs/dbraw/zinc/53/44/46/1068534446.db2.gz YRWUQAWQODIFNB-XMMPIXPASA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001300398666 1068545349 /nfs/dbraw/zinc/54/53/49/1068545349.db2.gz DMIJHNMOIJRATB-PKTZIBPZSA-N 1 0 455.647 4.283 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC001353763809 1068561337 /nfs/dbraw/zinc/56/13/37/1068561337.db2.gz KUVYNAOBUKHNBB-UHFFFAOYSA-N 1 0 450.505 4.423 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc([C@@H]3CCCOC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300404988 1068565167 /nfs/dbraw/zinc/56/51/67/1068565167.db2.gz YAQCIGYPMCPTQF-BKULYWANSA-N 1 0 455.647 4.499 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc([C@H]3CCCOC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300404991 1068566124 /nfs/dbraw/zinc/56/61/24/1068566124.db2.gz YAQCIGYPMCPTQF-SSPYTLHUSA-N 1 0 455.647 4.499 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc(C3CC3)cnc2Cl)CC1 ZINC001353772649 1068567837 /nfs/dbraw/zinc/56/78/37/1068567837.db2.gz ANPGZWWHVWPAON-UHFFFAOYSA-N 1 0 452.908 4.313 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)CCO2)c1 ZINC001300406564 1068573007 /nfs/dbraw/zinc/57/30/07/1068573007.db2.gz FPCQNXUOEMBPST-CHZKFRDHSA-N 1 0 455.647 4.499 20 0 JIADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]([N@H+](C)CCc4ccccc4)C3)c2c1C ZINC001300433650 1068687111 /nfs/dbraw/zinc/68/71/11/1068687111.db2.gz OITPTQYCGJMIEU-FQEVSTJZSA-N 1 0 454.665 4.484 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001300438419 1068705922 /nfs/dbraw/zinc/70/59/22/1068705922.db2.gz AWUJITZWKNEDEK-UHFFFAOYSA-N 1 0 484.620 4.440 20 0 JIADRO CC[C@H](C)NC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491273 1068733744 /nfs/dbraw/zinc/73/37/44/1068733744.db2.gz HEQZKSOYXMZHAO-RBBKRZOGSA-N 1 0 474.715 4.398 20 0 JIADRO O=C(c1ccccc1Oc1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001353934847 1068767398 /nfs/dbraw/zinc/76/73/98/1068767398.db2.gz FVUBLWNDMQHEBM-UHFFFAOYSA-N 1 0 459.384 4.426 20 0 JIADRO COC(=O)c1cccc(CC(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1 ZINC001353937593 1068769510 /nfs/dbraw/zinc/76/95/10/1068769510.db2.gz OVPBDAVTLCYUSV-UHFFFAOYSA-N 1 0 457.574 4.285 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001300456369 1068775146 /nfs/dbraw/zinc/77/51/46/1068775146.db2.gz FEKWBZDGPWEHNE-IFMALSPDSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300466466 1068805693 /nfs/dbraw/zinc/80/56/93/1068805693.db2.gz LOQIDRPNOYEUDP-TZIWHRDSSA-N 1 0 484.670 4.007 20 0 JIADRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=S)NCc2cccc(OC)c2OC)cc1 ZINC001200521114 1068811741 /nfs/dbraw/zinc/81/17/41/1068811741.db2.gz NJFBSFWUPOIRIU-NRFANRHFSA-N 1 0 457.640 4.073 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492565995 1068821271 /nfs/dbraw/zinc/82/12/71/1068821271.db2.gz KZCNIDPCNUGPTE-DHIUTWEWSA-N 1 0 466.674 4.115 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300475860 1068824479 /nfs/dbraw/zinc/82/44/79/1068824479.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 1 0 498.716 4.011 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492566659 1068827757 /nfs/dbraw/zinc/82/77/57/1068827757.db2.gz UFFPUHHJYMXXQH-NOZRDPDXSA-N 1 0 480.701 4.363 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001300478943 1068830813 /nfs/dbraw/zinc/83/08/13/1068830813.db2.gz NKAGFWUYHHAMLT-FBBABVLZSA-N 1 0 481.563 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300480367 1068833044 /nfs/dbraw/zinc/83/30/44/1068833044.db2.gz ZEUBJDBKWRGOSJ-UXHICEINSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001300481304 1068835486 /nfs/dbraw/zinc/83/54/86/1068835486.db2.gz OFQHSJXXJDNQKU-OALUTQOASA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300482353 1068837915 /nfs/dbraw/zinc/83/79/15/1068837915.db2.gz MEGCAYAUODMGGB-GOSISDBHSA-N 1 0 481.563 4.278 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300493821 1068861182 /nfs/dbraw/zinc/86/11/82/1068861182.db2.gz XKDXDDSWODBJJF-NRFANRHFSA-N 1 0 485.673 4.239 20 0 JIADRO CC(C)(C)OC(=O)NC1(CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCOCC1 ZINC001474576919 1068870315 /nfs/dbraw/zinc/87/03/15/1068870315.db2.gz VXDKQCBAWJPJKQ-VQTJNVASSA-N 1 0 471.564 4.070 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300506293 1068878596 /nfs/dbraw/zinc/87/85/96/1068878596.db2.gz QWMZXLPNTPTRAS-HXUWFJFHSA-N 1 0 494.606 4.293 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001300506885 1068880373 /nfs/dbraw/zinc/88/03/73/1068880373.db2.gz FKBWPZRIYQOMAA-IBGZPJMESA-N 1 0 482.595 4.145 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001300507446 1068881993 /nfs/dbraw/zinc/88/19/93/1068881993.db2.gz OIDHDXXQFXHWAA-UHFFFAOYSA-N 1 0 496.700 4.305 20 0 JIADRO C=Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001359171764 1068883039 /nfs/dbraw/zinc/88/30/39/1068883039.db2.gz ZPHARVSAJVUOCW-NRFANRHFSA-N 1 0 451.659 4.442 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCSCC(C)C ZINC001300510047 1068885813 /nfs/dbraw/zinc/88/58/13/1068885813.db2.gz DNWGTYXCPUKJDH-OAQYLSRUSA-N 1 0 487.714 4.423 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC(F)(F)Br ZINC001300510078 1068886356 /nfs/dbraw/zinc/88/63/56/1068886356.db2.gz FJWKGDIZWOACSM-UHFFFAOYSA-N 1 0 484.389 4.396 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300513438 1068893896 /nfs/dbraw/zinc/89/38/96/1068893896.db2.gz NESOPUFWSXPUON-UHFFFAOYSA-N 1 0 494.606 4.150 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001300513478 1068893924 /nfs/dbraw/zinc/89/39/24/1068893924.db2.gz NSOLPMMTSXSZSS-DHLKQENFSA-N 1 0 499.700 4.342 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300522034 1068915762 /nfs/dbraw/zinc/91/57/62/1068915762.db2.gz QDCKLIPTLWCPFF-RBBKRZOGSA-N 1 0 455.647 4.163 20 0 JIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001354133500 1068920115 /nfs/dbraw/zinc/92/01/15/1068920115.db2.gz FCGPMUWWWHKZPC-GGAORHGYSA-N 1 0 451.567 4.261 20 0 JIADRO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001300525262 1068925972 /nfs/dbraw/zinc/92/59/72/1068925972.db2.gz ZCIIMPHDOOZKAY-NRFANRHFSA-N 1 0 455.647 4.328 20 0 JIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146546 1068930836 /nfs/dbraw/zinc/93/08/36/1068930836.db2.gz BVDQNQIJCSVRLD-JTHBVZDNSA-N 1 0 454.014 4.059 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300531537 1068944305 /nfs/dbraw/zinc/94/43/05/1068944305.db2.gz XFDBAFHQGUGOOU-PGRDOPGGSA-N 1 0 479.654 4.119 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300533210 1068949129 /nfs/dbraw/zinc/94/91/29/1068949129.db2.gz VVPRFNVMBAUPSQ-WOJBJXKFSA-N 1 0 482.698 4.442 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300533589 1068949553 /nfs/dbraw/zinc/94/95/53/1068949553.db2.gz YOKJPSUVMVVSDX-GREBRCKQSA-N 1 0 453.587 4.102 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1CC[NH+]1CCCCCC1 ZINC001300535339 1068953999 /nfs/dbraw/zinc/95/39/99/1068953999.db2.gz IHQGJTUFNJAFAE-UHFFFAOYSA-N 1 0 454.644 4.155 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300536495 1068956929 /nfs/dbraw/zinc/95/69/29/1068956929.db2.gz PHRWSDOEZPVCHT-RTBURBONSA-N 1 0 468.671 4.399 20 0 JIADRO C[NH+](C)CCN(C(=S)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001200588686 1068966543 /nfs/dbraw/zinc/96/65/43/1068966543.db2.gz WZNHIOCDAFIDRK-MRXNPFEDSA-N 1 0 459.031 4.439 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300540113 1068969028 /nfs/dbraw/zinc/96/90/28/1068969028.db2.gz QLVOAEKTMJPHNH-OYRHEFFESA-N 1 0 469.674 4.392 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492569385 1068971340 /nfs/dbraw/zinc/97/13/40/1068971340.db2.gz VEZXOSLEARNVRO-AOHZBQACSA-N 1 0 480.701 4.315 20 0 JIADRO Cc1ccc(I)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001354210788 1068981359 /nfs/dbraw/zinc/98/13/59/1068981359.db2.gz UPVLRMIFENUZCX-KDOFPFPSSA-N 1 0 454.377 4.474 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCn1cc(Cl)cn1 ZINC001492585999 1068999635 /nfs/dbraw/zinc/99/96/35/1068999635.db2.gz UJQLBOQTMRQAME-UHFFFAOYSA-N 1 0 456.038 4.038 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001300556040 1069011374 /nfs/dbraw/zinc/01/13/74/1069011374.db2.gz MNRLMRSAPNSUKA-MUUNZHRXSA-N 1 0 483.701 4.375 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001492569996 1069013064 /nfs/dbraw/zinc/01/30/64/1069013064.db2.gz NNCLDXGYABWKHH-UHFFFAOYSA-N 1 0 488.558 4.263 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1C[C@H]1C ZINC001492570221 1069018131 /nfs/dbraw/zinc/01/81/31/1069018131.db2.gz UEBXLSNKSAWVCI-RTBURBONSA-N 1 0 451.537 4.001 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492587376 1069024111 /nfs/dbraw/zinc/02/41/11/1069024111.db2.gz NWBRNJVAIHUUGP-DNQXCXABSA-N 1 0 494.728 4.240 20 0 JIADRO Cc1ccccc1[C@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[N@@H+](C)C(C)C ZINC001492572286 1069027242 /nfs/dbraw/zinc/02/72/42/1069027242.db2.gz YSHJRMVNTMVLRO-JOCHJYFZSA-N 1 0 461.614 4.306 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N(C)C3CC[NH+](C)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000849388073 1069028484 /nfs/dbraw/zinc/02/84/84/1069028484.db2.gz ZKFGDAIWYKCVRC-YIXXDRMTSA-N 1 0 479.621 4.049 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001492572360 1069028650 /nfs/dbraw/zinc/02/86/50/1069028650.db2.gz AMVNMUQXTGHZFR-ZIHSNCGMSA-N 1 0 466.674 4.229 20 0 JIADRO O=C(Nc1ccccc1)c1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1Cl ZINC001200612557 1069036598 /nfs/dbraw/zinc/03/65/98/1069036598.db2.gz DGWTZSRTCHFRKS-FQEVSTJZSA-N 1 0 456.974 4.357 20 0 JIADRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(Br)cn1 ZINC001354271833 1069045483 /nfs/dbraw/zinc/04/54/83/1069045483.db2.gz FOCPQHRJIAXXKU-QZTJIDSGSA-N 1 0 457.397 4.179 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001492572824 1069046279 /nfs/dbraw/zinc/04/62/79/1069046279.db2.gz JAKZGFTUXNAMMV-UPVQGACJSA-N 1 0 480.701 4.112 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001492572825 1069046504 /nfs/dbraw/zinc/04/65/04/1069046504.db2.gz JAKZGFTUXNAMMV-VWNXMTODSA-N 1 0 480.701 4.112 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300564503 1069046830 /nfs/dbraw/zinc/04/68/30/1069046830.db2.gz QXUGNBRVDWBFLA-NHCUHLMSSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481032 1069049259 /nfs/dbraw/zinc/04/92/59/1069049259.db2.gz IZKNRYQKBNKDAJ-DQEYMECFSA-N 1 0 475.593 4.134 20 0 JIADRO COc1cc(CN(C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486331 1069051741 /nfs/dbraw/zinc/05/17/41/1069051741.db2.gz KHLLNWDWPHBQCR-CLJLJLNGSA-N 1 0 490.648 4.480 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486020 1069052953 /nfs/dbraw/zinc/05/29/53/1069052953.db2.gz DODYKALAXFAKDJ-PKTZIBPZSA-N 1 0 451.640 4.025 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300566395 1069057158 /nfs/dbraw/zinc/05/71/58/1069057158.db2.gz ACECXGLNTDDKNF-RZUBCFFCSA-N 1 0 487.714 4.097 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566485 1069057833 /nfs/dbraw/zinc/05/78/33/1069057833.db2.gz BZVSGTDAZOVACN-RBBKRZOGSA-N 1 0 457.688 4.330 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491777 1069060345 /nfs/dbraw/zinc/06/03/45/1069060345.db2.gz ANLXVGRRTCMDNJ-RTWAWAEBSA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849492725 1069062615 /nfs/dbraw/zinc/06/26/15/1069062615.db2.gz XTQNHAUWFRWGHN-LADGPHEKSA-N 1 0 476.577 4.101 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300568207 1069065827 /nfs/dbraw/zinc/06/58/27/1069065827.db2.gz QKYLZJCCVNGCLQ-NHCUHLMSSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001300568321 1069066684 /nfs/dbraw/zinc/06/66/84/1069066684.db2.gz RWODKTWALNLOGL-AREMUKBSSA-N 1 0 483.682 4.157 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495473 1069066800 /nfs/dbraw/zinc/06/68/00/1069066800.db2.gz CRNDODJRWBHGMM-AJSBUHFISA-N 1 0 456.631 4.155 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849494738 1069066848 /nfs/dbraw/zinc/06/68/48/1069066848.db2.gz YLHSMDPIAXGKIM-OALUTQOASA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497420 1069068537 /nfs/dbraw/zinc/06/85/37/1069068537.db2.gz NXPQDUKOTUTZAP-WOJBJXKFSA-N 1 0 471.602 4.228 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496760 1069068580 /nfs/dbraw/zinc/06/85/80/1069068580.db2.gz BRWUQWUIIXVECL-SXOMAYOGSA-N 1 0 460.622 4.267 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nc(C)cs1 ZINC001300568777 1069069160 /nfs/dbraw/zinc/06/91/60/1069069160.db2.gz XSRULILKPIWJKN-UHFFFAOYSA-N 1 0 454.644 4.001 20 0 JIADRO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849498576 1069070512 /nfs/dbraw/zinc/07/05/12/1069070512.db2.gz SDPLWJSSJGCWSE-ISKFKSNPSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499014 1069070540 /nfs/dbraw/zinc/07/05/40/1069070540.db2.gz CIIKLEMLFOKOCT-BFLUCZKCSA-N 1 0 488.611 4.281 20 0 JIADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001492574164 1069074053 /nfs/dbraw/zinc/07/40/53/1069074053.db2.gz MKAJGYVICPGPBW-LBNVMWSVSA-N 1 0 499.700 4.324 20 0 JIADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503155 1069076722 /nfs/dbraw/zinc/07/67/22/1069076722.db2.gz GYPQZFVSEAJYPU-LEWJYISDSA-N 1 0 455.603 4.368 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849503408 1069077787 /nfs/dbraw/zinc/07/77/87/1069077787.db2.gz ITJLXENIUJMIOF-GOTSBHOMSA-N 1 0 477.584 4.193 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504356 1069080455 /nfs/dbraw/zinc/08/04/55/1069080455.db2.gz OQWMOJKRPBEGAB-BUUDZMLXSA-N 1 0 491.636 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849504260 1069081273 /nfs/dbraw/zinc/08/12/73/1069081273.db2.gz BSWZGHKSIGMCES-PKTZIBPZSA-N 1 0 457.018 4.009 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849503932 1069082348 /nfs/dbraw/zinc/08/23/48/1069082348.db2.gz AEGMYJQWATVHAO-RPBOFIJWSA-N 1 0 465.642 4.277 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503863 1069082366 /nfs/dbraw/zinc/08/23/66/1069082366.db2.gz LZZARQFVIFHTJF-CLJLJLNGSA-N 1 0 473.621 4.078 20 0 JIADRO Cc1ccccc1[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001492574757 1069084612 /nfs/dbraw/zinc/08/46/12/1069084612.db2.gz ZGLPADFFIZQENZ-VWNXMTODSA-N 1 0 469.674 4.254 20 0 JIADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506160 1069085336 /nfs/dbraw/zinc/08/53/36/1069085336.db2.gz VBMGPLRPSHJXQR-IRLDBZIGSA-N 1 0 472.033 4.152 20 0 JIADRO CCCOc1c(Br)cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC001200623144 1069085349 /nfs/dbraw/zinc/08/53/49/1069085349.db2.gz VVMIIXOOAIIHGR-QGZVFWFLSA-N 1 0 455.437 4.227 20 0 JIADRO COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849506275 1069085406 /nfs/dbraw/zinc/08/54/06/1069085406.db2.gz MDCHPSQAHXLNRK-SXOMAYOGSA-N 1 0 460.622 4.472 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849505312 1069085466 /nfs/dbraw/zinc/08/54/66/1069085466.db2.gz HCPBZELIPIFNCZ-RBUKOAKNSA-N 1 0 484.442 4.063 20 0 JIADRO Cc1cc(CN(C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc(C)c1OCC(F)(F)F ZINC000849505987 1069086204 /nfs/dbraw/zinc/08/62/04/1069086204.db2.gz LBBSNSGKUIKPEG-YADHBBJMSA-N 1 0 480.575 4.451 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001492574895 1069087790 /nfs/dbraw/zinc/08/77/90/1069087790.db2.gz CEEDRQLXTJIODM-IADCTJSHSA-N 1 0 494.728 4.187 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)s2)c1 ZINC000504164651 1069088907 /nfs/dbraw/zinc/08/89/07/1069088907.db2.gz MBMKZSWZQVPZEK-FQEVSTJZSA-N 1 0 467.595 4.105 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300573613 1069089500 /nfs/dbraw/zinc/08/95/00/1069089500.db2.gz IXOYZFPTAJPKDE-XUZZJYLKSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300573638 1069090363 /nfs/dbraw/zinc/09/03/63/1069090363.db2.gz JOUPYTAZBKIBCK-SIKLNZKXSA-N 1 0 495.590 4.013 20 0 JIADRO Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510080 1069091758 /nfs/dbraw/zinc/09/17/58/1069091758.db2.gz GUVTXQLGTHESCL-DQEYMECFSA-N 1 0 487.648 4.154 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510280 1069091815 /nfs/dbraw/zinc/09/18/15/1069091815.db2.gz HZSYTQBKUSDMPS-WUMKDDEVSA-N 1 0 465.642 4.053 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849511332 1069093783 /nfs/dbraw/zinc/09/37/83/1069093783.db2.gz PHRHJGPZEXKKDH-VXKWHMMOSA-N 1 0 469.630 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849511330 1069093837 /nfs/dbraw/zinc/09/38/37/1069093837.db2.gz PHRHJGPZEXKKDH-FCHUYYIVSA-N 1 0 469.630 4.240 20 0 JIADRO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511028 1069094372 /nfs/dbraw/zinc/09/43/72/1069094372.db2.gz WRZLRSOEPDUMEG-RPBOFIJWSA-N 1 0 452.643 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849513857 1069097924 /nfs/dbraw/zinc/09/79/24/1069097924.db2.gz FGSZVNDOWJKEDO-ZEQRLZLVSA-N 1 0 467.589 4.119 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514898 1069099715 /nfs/dbraw/zinc/09/97/15/1069099715.db2.gz JPFFKGMSTGSDLK-SFTDATJTSA-N 1 0 461.448 4.091 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849515044 1069099780 /nfs/dbraw/zinc/09/97/80/1069099780.db2.gz DWJZAPMFYFQYMT-JQVVWYNYSA-N 1 0 465.425 4.141 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514917 1069100012 /nfs/dbraw/zinc/10/00/12/1069100012.db2.gz JRVQJOTZBMOKQU-RPBOFIJWSA-N 1 0 496.633 4.069 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC3(CCC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300576680 1069102224 /nfs/dbraw/zinc/10/22/24/1069102224.db2.gz KAOXAKLSVGHJAW-UHFFFAOYSA-N 1 0 455.647 4.146 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516676 1069104222 /nfs/dbraw/zinc/10/42/22/1069104222.db2.gz LURGGZKJGWYBKW-XZOQPEGZSA-N 1 0 456.594 4.426 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516635 1069104409 /nfs/dbraw/zinc/10/44/09/1069104409.db2.gz LDYQWBLUMMTAQC-IZZNHLLZSA-N 1 0 457.622 4.435 20 0 JIADRO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849516709 1069104512 /nfs/dbraw/zinc/10/45/12/1069104512.db2.gz ANUOAMVCCFIXME-PMACEKPBSA-N 1 0 493.574 4.129 20 0 JIADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519348 1069108717 /nfs/dbraw/zinc/10/87/17/1069108717.db2.gz JBDOMEOIFJALLY-RIEVBORMSA-N 1 0 450.558 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518621 1069110041 /nfs/dbraw/zinc/11/00/41/1069110041.db2.gz SBVGNCRSBXCBML-VMPREFPWSA-N 1 0 496.659 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520425 1069111141 /nfs/dbraw/zinc/11/11/41/1069111141.db2.gz ZHDXHNBWLUSHDD-DHIUTWEWSA-N 1 0 458.566 4.318 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520094 1069111974 /nfs/dbraw/zinc/11/19/74/1069111974.db2.gz XRWZTLPVBKJHAA-UXHICEINSA-N 1 0 455.006 4.231 20 0 JIADRO Cc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519552 1069112828 /nfs/dbraw/zinc/11/28/28/1069112828.db2.gz VGDPXMKRYKTXOB-ZEQRLZLVSA-N 1 0 454.578 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520578 1069113146 /nfs/dbraw/zinc/11/31/46/1069113146.db2.gz ODZTWYNGGDXNQP-GOTSBHOMSA-N 1 0 456.594 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520681 1069113221 /nfs/dbraw/zinc/11/32/21/1069113221.db2.gz YMDDKTAHGBRYMF-ZEQRLZLVSA-N 1 0 466.630 4.281 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300580199 1069113374 /nfs/dbraw/zinc/11/33/74/1069113374.db2.gz SGXUQFPTLCRUHA-WOJBJXKFSA-N 1 0 487.714 4.097 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cn1 ZINC000849522329 1069114193 /nfs/dbraw/zinc/11/41/93/1069114193.db2.gz YDMZXWPKMKILTI-XZOQPEGZSA-N 1 0 456.594 4.077 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)s2)c1 ZINC000504191282 1069114292 /nfs/dbraw/zinc/11/42/92/1069114292.db2.gz UXORUNRMEHFUJA-UHFFFAOYSA-N 1 0 451.596 4.096 20 0 JIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522897 1069115902 /nfs/dbraw/zinc/11/59/02/1069115902.db2.gz PWEAMIHLXRHJBS-VHKYSDTDSA-N 1 0 458.031 4.418 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521524 1069115924 /nfs/dbraw/zinc/11/59/24/1069115924.db2.gz FERBWRMNWBYQKZ-NJYVYQBISA-N 1 0 452.628 4.266 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)s2)c1 ZINC000504194166 1069117336 /nfs/dbraw/zinc/11/73/36/1069117336.db2.gz FSGOWWHUNCQTDD-OAQYLSRUSA-N 1 0 467.595 4.105 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069118937 /nfs/dbraw/zinc/11/89/37/1069118937.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 1 0 472.077 4.058 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849525938 1069123191 /nfs/dbraw/zinc/12/31/91/1069123191.db2.gz PRDIUZXAXRTXKC-RPWUZVMVSA-N 1 0 466.626 4.324 20 0 JIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849525968 1069123448 /nfs/dbraw/zinc/12/34/48/1069123448.db2.gz PVMDIEKPEPKSNG-WOJBJXKFSA-N 1 0 460.022 4.007 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300582748 1069123896 /nfs/dbraw/zinc/12/38/96/1069123896.db2.gz MPOWIYGKSICPIJ-MRXNPFEDSA-N 1 0 487.446 4.206 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300582746 1069124106 /nfs/dbraw/zinc/12/41/06/1069124106.db2.gz MPOWIYGKSICPIJ-INIZCTEOSA-N 1 0 487.446 4.206 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849529317 1069130305 /nfs/dbraw/zinc/13/03/05/1069130305.db2.gz ZEPGLURGCJXDRM-QZTJIDSGSA-N 1 0 489.443 4.154 20 0 JIADRO COc1cccc(Br)c1[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC1CC1 ZINC001200640095 1069140229 /nfs/dbraw/zinc/14/02/29/1069140229.db2.gz CDDUPCOTJCZDMH-HKUYNNGSSA-N 1 0 460.441 4.052 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)s2)c1 ZINC000504221255 1069141850 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1069199694 /nfs/dbraw/zinc/19/96/94/1069199694.db2.gz YJHCDVAQQYOWSQ-BWAGFHJFSA-N 1 0 451.640 4.415 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849557176 1069203534 /nfs/dbraw/zinc/20/35/34/1069203534.db2.gz GBHGIIFWKDPFKR-DLBZAZTESA-N 1 0 473.832 4.389 20 0 JIADRO COc1cccc(C(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557833 1069204352 /nfs/dbraw/zinc/20/43/52/1069204352.db2.gz KAZOHRCKWMRVJY-FTJBHMTQSA-N 1 0 476.621 4.157 20 0 JIADRO Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557735 1069205474 /nfs/dbraw/zinc/20/54/74/1069205474.db2.gz ITFVXJZEFGEYNT-JWQCQUIFSA-N 1 0 479.669 4.166 20 0 JIADRO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)Oc1cccc(C(F)(F)F)c1 ZINC000849560179 1069207835 /nfs/dbraw/zinc/20/78/35/1069207835.db2.gz YBEAEJQUNTXLDF-HJNYFJLDSA-N 1 0 466.548 4.227 20 0 JIADRO COc1ccc(F)cc1-c1csc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849562178 1069209825 /nfs/dbraw/zinc/20/98/25/1069209825.db2.gz JTJSRUDDOJDYNS-HKUYNNGSSA-N 1 0 457.575 4.144 20 0 JIADRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000849563174 1069211110 /nfs/dbraw/zinc/21/11/10/1069211110.db2.gz PPMBMACMYIVNMG-SMIHKQSGSA-N 1 0 454.659 4.461 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849563247 1069211604 /nfs/dbraw/zinc/21/16/04/1069211604.db2.gz JHSLMYJFOOLCNZ-NHCUHLMSSA-N 1 0 460.504 4.077 20 0 JIADRO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)c1 ZINC001200663292 1069212557 /nfs/dbraw/zinc/21/25/57/1069212557.db2.gz AHKBYNZLFVOXJP-KBMIEXCESA-N 1 0 472.605 4.307 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(I)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849563693 1069213546 /nfs/dbraw/zinc/21/35/46/1069213546.db2.gz RUJMQEWGXRGUJV-JKSUJKDBSA-N 1 0 486.785 4.131 20 0 JIADRO CCC1(CC)CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565125 1069214105 /nfs/dbraw/zinc/21/41/05/1069214105.db2.gz TZZNBZHIIWVFOR-RTBURBONSA-N 1 0 459.432 4.323 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564625 1069215503 /nfs/dbraw/zinc/21/55/03/1069215503.db2.gz VUZYQWAIBYCOGS-VABKMULXSA-N 1 0 485.401 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849568486 1069219441 /nfs/dbraw/zinc/21/94/41/1069219441.db2.gz NQELCJVGDSRKAG-NHCUHLMSSA-N 1 0 490.530 4.016 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569633 1069221095 /nfs/dbraw/zinc/22/10/95/1069221095.db2.gz VDOGHCUPGCTJCI-KGLIPLIRSA-N 1 0 465.303 4.342 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cn1 ZINC000849571391 1069222001 /nfs/dbraw/zinc/22/20/01/1069222001.db2.gz IKTXUVLVPUHLDS-QKLQHJQFSA-N 1 0 454.924 4.395 20 0 JIADRO CCCc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570721 1069222855 /nfs/dbraw/zinc/22/28/55/1069222855.db2.gz ASTWBFHCHBUKMR-YADHBBJMSA-N 1 0 452.578 4.150 20 0 JIADRO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849573351 1069224598 /nfs/dbraw/zinc/22/45/98/1069224598.db2.gz SBUSSNLODZURBP-FPOVZHCZSA-N 1 0 485.032 4.375 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849574285 1069225063 /nfs/dbraw/zinc/22/50/63/1069225063.db2.gz XGNLITXCBOALIU-LEWJYISDSA-N 1 0 459.432 4.366 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849574471 1069225192 /nfs/dbraw/zinc/22/51/92/1069225192.db2.gz WQOVOISBCRNTLA-WOJBJXKFSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCCc3c(Br)cccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849573706 1069225855 /nfs/dbraw/zinc/22/58/55/1069225855.db2.gz RVWWGAHLYOEWIG-AZUAARDMSA-N 1 0 459.432 4.366 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000849575309 1069226466 /nfs/dbraw/zinc/22/64/66/1069226466.db2.gz JVWGCOASWIYCEX-TZRRMPRUSA-N 1 0 486.538 4.389 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849574938 1069227753 /nfs/dbraw/zinc/22/77/53/1069227753.db2.gz YLULSZGIJSOPAE-BZSNNMDCSA-N 1 0 465.461 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849576120 1069228889 /nfs/dbraw/zinc/22/88/89/1069228889.db2.gz GVBOFPMNEKKXFY-CABCVRRESA-N 1 0 462.982 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849578747 1069230667 /nfs/dbraw/zinc/23/06/67/1069230667.db2.gz XNFZGRRLILUWTF-KVSKMBFKSA-N 1 0 474.474 4.255 20 0 JIADRO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579301 1069231080 /nfs/dbraw/zinc/23/10/80/1069231080.db2.gz OUYSIINTPGANFQ-YADHBBJMSA-N 1 0 465.985 4.308 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849581146 1069231715 /nfs/dbraw/zinc/23/17/15/1069231715.db2.gz FIFAUDYTYYQNAC-RBUKOAKNSA-N 1 0 467.839 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849583344 1069233820 /nfs/dbraw/zinc/23/38/20/1069233820.db2.gz SUSIWWWZBZKNCB-RBUKOAKNSA-N 1 0 467.839 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849583084 1069234015 /nfs/dbraw/zinc/23/40/15/1069234015.db2.gz RKFKMVATNWZABY-ACRUOGEOSA-N 1 0 478.468 4.326 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849583929 1069234772 /nfs/dbraw/zinc/23/47/72/1069234772.db2.gz VJECJCQSHJJOGN-UXHICEINSA-N 1 0 471.443 4.465 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001354462370 1069237508 /nfs/dbraw/zinc/23/75/08/1069237508.db2.gz DYTOKMGQSCASDS-XMMPIXPASA-N 1 0 451.611 4.118 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492576213 1069240579 /nfs/dbraw/zinc/24/05/79/1069240579.db2.gz LSGCVVOLRUAEDN-QHCPKHFHSA-N 1 0 451.663 4.140 20 0 JIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001354466360 1069241126 /nfs/dbraw/zinc/24/11/26/1069241126.db2.gz QWXSZKQJIKLAJR-RPWUZVMVSA-N 1 0 451.611 4.103 20 0 JIADRO COCCC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849591423 1069242015 /nfs/dbraw/zinc/24/20/15/1069242015.db2.gz IRBIPMMZIIHQGW-AGILITTLSA-N 1 0 461.050 4.214 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590249 1069242030 /nfs/dbraw/zinc/24/20/30/1069242030.db2.gz XYGDPHJDFDPCSC-PKTZIBPZSA-N 1 0 488.474 4.100 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594361 1069246084 /nfs/dbraw/zinc/24/60/84/1069246084.db2.gz XARMQVXUCDBPIJ-VQTJNVASSA-N 1 0 497.993 4.255 20 0 JIADRO Cc1cc(C(C)(C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000849595106 1069247247 /nfs/dbraw/zinc/24/72/47/1069247247.db2.gz IOBPDBVGLJYKHL-WOJBJXKFSA-N 1 0 461.448 4.356 20 0 JIADRO Cc1sc(C2(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596357 1069248636 /nfs/dbraw/zinc/24/86/36/1069248636.db2.gz MTZQFDBTXLUHKL-AZUAARDMSA-N 1 0 467.614 4.222 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000849595754 1069250377 /nfs/dbraw/zinc/25/03/77/1069250377.db2.gz KWQSIBKHGPDFIL-QKNQBKEWSA-N 1 0 450.549 4.248 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595839 1069250705 /nfs/dbraw/zinc/25/07/05/1069250705.db2.gz JICKYDOYZBOWFW-RTWAWAEBSA-N 1 0 462.985 4.146 20 0 JIADRO COc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300623336 1069251374 /nfs/dbraw/zinc/25/13/74/1069251374.db2.gz XSJLNDQZKIMAJB-RTWAWAEBSA-N 1 0 485.673 4.032 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cn1 ZINC000849597471 1069251578 /nfs/dbraw/zinc/25/15/78/1069251578.db2.gz SSOIGLKCBXFSTL-ILWGZMRPSA-N 1 0 497.640 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849596870 1069252857 /nfs/dbraw/zinc/25/28/57/1069252857.db2.gz PWRYIKWBJPCAFB-VCOUNFBDSA-N 1 0 473.459 4.436 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300624748 1069255005 /nfs/dbraw/zinc/25/50/05/1069255005.db2.gz BBRFGGQNTGSMJD-MYDTUXCISA-N 1 0 485.673 4.380 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598971 1069255912 /nfs/dbraw/zinc/25/59/12/1069255912.db2.gz JHKXTUGVUHIHAQ-RTBURBONSA-N 1 0 459.432 4.194 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598969 1069256216 /nfs/dbraw/zinc/25/62/16/1069256216.db2.gz JHKXTUGVUHIHAQ-OALUTQOASA-N 1 0 459.432 4.194 20 0 JIADRO COCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000849601229 1069257669 /nfs/dbraw/zinc/25/76/69/1069257669.db2.gz UKRXSHXEYXBTEN-FSSWDIPSSA-N 1 0 466.548 4.147 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849604592 1069261715 /nfs/dbraw/zinc/26/17/15/1069261715.db2.gz DHSAHHZBMOVFMJ-YADHBBJMSA-N 1 0 478.559 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849607422 1069263461 /nfs/dbraw/zinc/26/34/61/1069263461.db2.gz VOOQZSSUBQASOV-CNNODRBYSA-N 1 0 454.018 4.042 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300627601 1069264566 /nfs/dbraw/zinc/26/45/66/1069264566.db2.gz KZFFDQIYTQGSQS-QGZVFWFLSA-N 1 0 455.525 4.129 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849610371 1069266520 /nfs/dbraw/zinc/26/65/20/1069266520.db2.gz JINGMFCSHNQDPM-RBZQAINGSA-N 1 0 481.641 4.385 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000849609805 1069267857 /nfs/dbraw/zinc/26/78/57/1069267857.db2.gz ZDKMHOAGDGCNLV-VQTJNVASSA-N 1 0 474.487 4.131 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849609962 1069267952 /nfs/dbraw/zinc/26/79/52/1069267952.db2.gz FVGAKMSOSVKBJT-MSNJVRRCSA-N 1 0 489.705 4.166 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849611335 1069269731 /nfs/dbraw/zinc/26/97/31/1069269731.db2.gz WOSWVCDAHNLVPX-VXKWHMMOSA-N 1 0 473.459 4.136 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CSCc3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849611089 1069269893 /nfs/dbraw/zinc/26/98/93/1069269893.db2.gz SYIJIVNYPDAUGF-TYPHKJRUSA-N 1 0 477.472 4.101 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849610758 1069271560 /nfs/dbraw/zinc/27/15/60/1069271560.db2.gz OACJSXUBKQXXSF-HKUYNNGSSA-N 1 0 459.566 4.198 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849610725 1069271630 /nfs/dbraw/zinc/27/16/30/1069271630.db2.gz NHUDQGJDEGZPHE-OALUTQOASA-N 1 0 459.432 4.321 20 0 JIADRO CCc1cc(Br)cc2sc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849611964 1069273664 /nfs/dbraw/zinc/27/36/64/1069273664.db2.gz CTKAVQFJBVFKHX-JKSUJKDBSA-N 1 0 462.417 4.029 20 0 JIADRO CSc1ccc(-c2nsc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849613264 1069273891 /nfs/dbraw/zinc/27/38/91/1069273891.db2.gz QTQFLPBNJGEELO-RTBURBONSA-N 1 0 456.641 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849613141 1069274074 /nfs/dbraw/zinc/27/40/74/1069274074.db2.gz PFJFBRYHANAZGJ-IRXDYDNUSA-N 1 0 489.443 4.154 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300632952 1069285248 /nfs/dbraw/zinc/28/52/48/1069285248.db2.gz PNSHOPGSFASZPM-BCQCSXDESA-N 1 0 485.673 4.239 20 0 JIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)c1 ZINC001164406527 718864420 /nfs/dbraw/zinc/86/44/20/718864420.db2.gz HFKDDSVDMJRHNM-MJGOQNOKSA-N 1 0 469.680 4.220 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614417 719010727 /nfs/dbraw/zinc/01/07/27/719010727.db2.gz FGFKJUVTYAROMX-HRFSGMKKSA-N 1 0 497.709 4.053 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164619324 719011226 /nfs/dbraw/zinc/01/12/26/719011226.db2.gz VRJZDECVSAJNFR-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164613870 719011674 /nfs/dbraw/zinc/01/16/74/719011674.db2.gz AEAYTRXTNCDRLH-AVRDEDQJSA-N 1 0 453.961 4.307 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164615531 719019485 /nfs/dbraw/zinc/01/94/85/719019485.db2.gz IOUMASABRINXKS-PNHOKKKMSA-N 1 0 472.923 4.225 20 0 JIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)[C@H]3C2)cc1 ZINC001164627353 719084547 /nfs/dbraw/zinc/08/45/47/719084547.db2.gz QNZRJXDDABYCRJ-RDGATRHJSA-N 1 0 455.610 4.025 20 0 JIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001164621059 719120408 /nfs/dbraw/zinc/12/04/08/719120408.db2.gz KHVNGFMGJBFRHI-RHSMWYFYSA-N 1 0 453.892 4.247 20 0 JIADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21 ZINC001164634329 719140044 /nfs/dbraw/zinc/14/00/44/719140044.db2.gz UOJVROLUAHDSPQ-VWLOTQADSA-N 1 0 462.638 4.155 20 0 JIADRO CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164649252 719318081 /nfs/dbraw/zinc/31/80/81/719318081.db2.gz AVVIAIUTBOGMHT-UHFFFAOYSA-N 1 0 464.992 4.058 20 0 JIADRO CC(C)N(c1nc(CN(C)C)nc2scc(-c3ccccc3)c21)c1ncnc2c1CC[NH2+]CC2 ZINC001164659399 719344753 /nfs/dbraw/zinc/34/47/53/719344753.db2.gz CBPQIOQMCJWBTB-UHFFFAOYSA-N 1 0 473.650 4.445 20 0 JIADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164669814 719438974 /nfs/dbraw/zinc/43/89/74/719438974.db2.gz MRZYDOOUGSWHRR-MOPGFXCFSA-N 1 0 452.649 4.382 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682253 719624422 /nfs/dbraw/zinc/62/44/22/719624422.db2.gz MDHXQUDXMDOFCJ-UHFFFAOYSA-N 1 0 455.340 4.217 20 0 JIADRO COc1cccc2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164681434 719662497 /nfs/dbraw/zinc/66/24/97/719662497.db2.gz ORMPQKBDZOCECJ-JOCHJYFZSA-N 1 0 472.633 4.337 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4nccc(Cl)c4cn3)CC2)c2ccccc21 ZINC001164680869 719667085 /nfs/dbraw/zinc/66/70/85/719667085.db2.gz IFUYZSMKOZJNHG-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO CCOc1ccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681233 719671164 /nfs/dbraw/zinc/67/11/64/719671164.db2.gz KSPZXSMVVFEWTB-NRFANRHFSA-N 1 0 487.648 4.122 20 0 JIADRO COc1ccc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc(C)c2c1 ZINC001164681824 719672518 /nfs/dbraw/zinc/67/25/18/719672518.db2.gz NRMMYIDBIXFONE-NRFANRHFSA-N 1 0 487.648 4.040 20 0 JIADRO Cc1csc2nc(C)nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164680079 719679516 /nfs/dbraw/zinc/67/95/16/719679516.db2.gz BMNGMERHBZZPBB-FQEVSTJZSA-N 1 0 477.678 4.402 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccnc3Oc3ccccc3)CC2)c2ccccc21 ZINC001164685607 719681018 /nfs/dbraw/zinc/68/10/18/719681018.db2.gz LHAPOUPJRBMUAG-JOCHJYFZSA-N 1 0 485.632 4.362 20 0 JIADRO CCc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)nc1C ZINC001164687715 719682939 /nfs/dbraw/zinc/68/29/39/719682939.db2.gz UKBLEVYVQPFDOF-IBGZPJMESA-N 1 0 470.061 4.094 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)c2ccccc21 ZINC001164687091 719684865 /nfs/dbraw/zinc/68/48/65/719684865.db2.gz PPUBTPWDCMQBHU-OAQYLSRUSA-N 1 0 486.664 4.319 20 0 JIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cc(C(=O)NCC(C)C)ccc42)CC3)cs1 ZINC001164694033 719812048 /nfs/dbraw/zinc/81/20/48/719812048.db2.gz ZWDLBWUCNSDTJT-UHFFFAOYSA-N 1 0 478.666 4.416 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C ZINC001164695718 719891999 /nfs/dbraw/zinc/89/19/99/719891999.db2.gz SJFIRTSEJODWEY-UHFFFAOYSA-N 1 0 450.004 4.153 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814145 720089520 /nfs/dbraw/zinc/08/95/20/720089520.db2.gz VOXVZECXMDRLFQ-QVKFZJNVSA-N 1 0 454.924 4.152 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2c1C ZINC001164711480 720094701 /nfs/dbraw/zinc/09/47/01/720094701.db2.gz PUCTZDQXNUREMB-FQEVSTJZSA-N 1 0 495.649 4.079 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164711082 720099345 /nfs/dbraw/zinc/09/93/45/720099345.db2.gz NWUXNESAMWBTLQ-SFHVURJKSA-N 1 0 455.653 4.316 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164710717 720105949 /nfs/dbraw/zinc/10/59/49/720105949.db2.gz LJKHKGHNSUBFHQ-INIZCTEOSA-N 1 0 472.367 4.231 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1Cl ZINC001164714917 720106532 /nfs/dbraw/zinc/10/65/32/720106532.db2.gz FFOXJKCQVAREIA-GOSISDBHSA-N 1 0 493.435 4.468 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716939 720123399 /nfs/dbraw/zinc/12/33/99/720123399.db2.gz LTTKLKQOJHQZFG-HXUWFJFHSA-N 1 0 473.017 4.123 20 0 JIADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710407 720128670 /nfs/dbraw/zinc/12/86/70/720128670.db2.gz AXTOXCSZWCGFMC-QHCPKHFHSA-N 1 0 474.605 4.314 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817788 720169056 /nfs/dbraw/zinc/16/90/56/720169056.db2.gz QFWUGDDCAYONRY-KMRXNPHXSA-N 1 0 495.737 4.351 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814512 720228581 /nfs/dbraw/zinc/22/85/81/720228581.db2.gz WLZBGPUYADACDG-UHFFFAOYSA-N 1 0 476.408 4.357 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CCC2 ZINC001164813388 720229448 /nfs/dbraw/zinc/22/94/48/720229448.db2.gz NSVHQJLCYMDFAJ-UHFFFAOYSA-N 1 0 488.970 4.149 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CCC2 ZINC001164812064 720235959 /nfs/dbraw/zinc/23/59/59/720235959.db2.gz AWUQBHXBPCZQPB-UHFFFAOYSA-N 1 0 472.568 4.243 20 0 JIADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164815785 720260486 /nfs/dbraw/zinc/26/04/86/720260486.db2.gz FBUFMXWEFOFENZ-PMACEKPBSA-N 1 0 494.011 4.191 20 0 JIADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164815788 720260631 /nfs/dbraw/zinc/26/06/31/720260631.db2.gz FBUFMXWEFOFENZ-UXHICEINSA-N 1 0 494.011 4.191 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164828946 720325209 /nfs/dbraw/zinc/32/52/09/720325209.db2.gz KRKLAHWKCMFGEO-PMACEKPBSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164828343 720337706 /nfs/dbraw/zinc/33/77/06/720337706.db2.gz OGXXEDOVDRJQKO-RPBOFIJWSA-N 1 0 491.586 4.487 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164831191 720340690 /nfs/dbraw/zinc/34/06/90/720340690.db2.gz XZNPYTDXSHSWSG-FGZHOGPDSA-N 1 0 489.998 4.253 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(SCc3ccccc3)ccn2)CC1 ZINC001164829178 720344038 /nfs/dbraw/zinc/34/40/38/720344038.db2.gz QWCPMNCHXQUOGF-BJKOFHAPSA-N 1 0 450.652 4.285 20 0 JIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830727 720346272 /nfs/dbraw/zinc/34/62/72/720346272.db2.gz WTNIEVUCMPWFHU-GOTSBHOMSA-N 1 0 468.045 4.325 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164826493 720353805 /nfs/dbraw/zinc/35/38/05/720353805.db2.gz KDLLPXWSNZBGRE-YADHBBJMSA-N 1 0 484.044 4.396 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]21 ZINC001164833674 720513469 /nfs/dbraw/zinc/51/34/69/720513469.db2.gz DMAIRODKZPGGGR-ZWOKBUDYSA-N 1 0 460.960 4.402 20 0 JIADRO Cc1nc2c(cc(-c3nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)ncc3F)cc2F)n1C(C)C ZINC001164729310 720515179 /nfs/dbraw/zinc/51/51/79/720515179.db2.gz MEZVPQMIFUZQFG-KRWDZBQOSA-N 1 0 480.567 4.055 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834659 720536216 /nfs/dbraw/zinc/53/62/16/720536216.db2.gz FOICHAZWSFZKBO-PLMTUMEDSA-N 1 0 460.960 4.402 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839004 720537839 /nfs/dbraw/zinc/53/78/39/720537839.db2.gz PMAHWZFSGUYHDV-WAOWUJCRSA-N 1 0 483.016 4.034 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]21 ZINC001164833554 720566625 /nfs/dbraw/zinc/56/66/25/720566625.db2.gz AAIBZZJPGQZRDX-ZWOKBUDYSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]21 ZINC001164840119 720596639 /nfs/dbraw/zinc/59/66/39/720596639.db2.gz PBWFKMBENJKDTD-HWBMXIPRSA-N 1 0 459.642 4.194 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]21 ZINC001164838721 720609345 /nfs/dbraw/zinc/60/93/45/720609345.db2.gz KZXHXFRLAOJNNE-UWVAXJGDSA-N 1 0 450.965 4.127 20 0 JIADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838740 720616528 /nfs/dbraw/zinc/61/65/28/720616528.db2.gz LKKLTSTWSKOCRN-CSODHUTKSA-N 1 0 490.986 4.411 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164835666 720622501 /nfs/dbraw/zinc/62/25/01/720622501.db2.gz CHAPKMDFJQDWPV-YGDRIEADSA-N 1 0 485.007 4.499 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]21 ZINC001164838310 720632244 /nfs/dbraw/zinc/63/22/44/720632244.db2.gz KSIXHYILCADDMI-ONTIZHBOSA-N 1 0 459.623 4.328 20 0 JIADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738566 720656941 /nfs/dbraw/zinc/65/69/41/720656941.db2.gz KMUQQKXLBGSEKB-VQTJNVASSA-N 1 0 457.912 4.079 20 0 JIADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843319 720666243 /nfs/dbraw/zinc/66/62/43/720666243.db2.gz WECVFCHUABUPDH-OAQYLSRUSA-N 1 0 460.578 4.066 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164844261 720666822 /nfs/dbraw/zinc/66/68/22/720666822.db2.gz ZQFXEBJCEUMVFW-VWLOTQADSA-N 1 0 470.617 4.272 20 0 JIADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737918 720719739 /nfs/dbraw/zinc/71/97/39/720719739.db2.gz HTQJQSBIQFSEMS-PMACEKPBSA-N 1 0 458.953 4.082 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164842874 720720117 /nfs/dbraw/zinc/72/01/17/720720117.db2.gz ZPLWPMPKSAXJBG-HSZRJFAPSA-N 1 0 455.606 4.287 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164842877 720720786 /nfs/dbraw/zinc/72/07/86/720720786.db2.gz ZPLWPMPKSAXJBG-QHCPKHFHSA-N 1 0 455.606 4.287 20 0 JIADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842453 720742757 /nfs/dbraw/zinc/74/27/57/720742757.db2.gz DXERIVCRLDMFRI-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745378 720758680 /nfs/dbraw/zinc/75/86/80/720758680.db2.gz VIJJCIARLVMBSO-ROUUACIJSA-N 1 0 464.982 4.144 20 0 JIADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164745434 720790122 /nfs/dbraw/zinc/79/01/22/720790122.db2.gz KJNSLFBACIICJV-LOSJGSFVSA-N 1 0 464.573 4.251 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739639 720820314 /nfs/dbraw/zinc/82/03/14/720820314.db2.gz HZGYVXMCSDCTSD-UNWVZKJWSA-N 1 0 499.997 4.313 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743563 720842395 /nfs/dbraw/zinc/84/23/95/720842395.db2.gz JEPXBKQQVMCLGG-SGIRGMQISA-N 1 0 479.028 4.285 20 0 JIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739512 720850531 /nfs/dbraw/zinc/85/05/31/720850531.db2.gz ATZGSPJJWFZNTR-FDFHNCONSA-N 1 0 464.017 4.076 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748894 720858261 /nfs/dbraw/zinc/85/82/61/720858261.db2.gz MUTRWNSUEHNYSQ-RZUBCFFCSA-N 1 0 480.016 4.202 20 0 JIADRO Fc1ccc(F)c2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750392 720859704 /nfs/dbraw/zinc/85/97/04/720859704.db2.gz PQPATYOAYSITCE-GPMSIDNRSA-N 1 0 458.944 4.137 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164859666 720861704 /nfs/dbraw/zinc/86/17/04/720861704.db2.gz VEJUOQMMNGOETL-CYFREDJKSA-N 1 0 483.012 4.132 20 0 JIADRO CSc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748580 720870559 /nfs/dbraw/zinc/87/05/59/720870559.db2.gz FYPPRJKXDXYYMI-AUSIDOKSSA-N 1 0 460.047 4.002 20 0 JIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754435 720871563 /nfs/dbraw/zinc/87/15/63/720871563.db2.gz RUBYRYIOPRAURZ-NZQKXSOJSA-N 1 0 477.987 4.133 20 0 JIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754434 720871866 /nfs/dbraw/zinc/87/18/66/720871866.db2.gz RUBYRYIOPRAURZ-NFBKMPQASA-N 1 0 477.987 4.133 20 0 JIADRO Clc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755479 720877808 /nfs/dbraw/zinc/87/78/08/720877808.db2.gz XOWVJBHPSFADGT-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753329 720881256 /nfs/dbraw/zinc/88/12/56/720881256.db2.gz OZWQYCQVMMKKKT-REWPJTCUSA-N 1 0 478.971 4.310 20 0 JIADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753320 720881378 /nfs/dbraw/zinc/88/13/78/720881378.db2.gz OZWQYCQVMMKKKT-NFBKMPQASA-N 1 0 478.971 4.310 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754853 720881386 /nfs/dbraw/zinc/88/13/86/720881386.db2.gz UAHOLBIKFWFWKV-NFBKMPQASA-N 1 0 478.971 4.310 20 0 JIADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753818 720881488 /nfs/dbraw/zinc/88/14/88/720881488.db2.gz QBDZVVLJMUWEDD-NKKJXINNSA-N 1 0 460.981 4.013 20 0 JIADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754855 720881645 /nfs/dbraw/zinc/88/16/45/720881645.db2.gz UAHOLBIKFWFWKV-NZQKXSOJSA-N 1 0 478.971 4.310 20 0 JIADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]2C1 ZINC001164859133 720882008 /nfs/dbraw/zinc/88/20/08/720882008.db2.gz LTEIVFSEQDEAHA-UGKGYDQZSA-N 1 0 481.971 4.032 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]2C1 ZINC001164859130 720882183 /nfs/dbraw/zinc/88/21/83/720882183.db2.gz LTEIVFSEQDEAHA-SIKLNZKXSA-N 1 0 481.971 4.032 20 0 JIADRO Clc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164757493 720884386 /nfs/dbraw/zinc/88/43/86/720884386.db2.gz VETTWNJGPQRGLB-QFQXNSOFSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1ccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164758886 720886404 /nfs/dbraw/zinc/88/64/04/720886404.db2.gz ZZUQHWBVEGEDEX-LVXARBLLSA-N 1 0 464.013 4.433 20 0 JIADRO COc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164754519 720888087 /nfs/dbraw/zinc/88/80/87/720888087.db2.gz JCRODQWUKPBBAR-YKSBVNFPSA-N 1 0 492.998 4.439 20 0 JIADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755664 720889925 /nfs/dbraw/zinc/88/99/25/720889925.db2.gz MKRXWGDRDLYJOV-NKKJXINNSA-N 1 0 460.981 4.013 20 0 JIADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752606 720891971 /nfs/dbraw/zinc/89/19/71/720891971.db2.gz FLGMQBNAUGZTAE-AUSIDOKSSA-N 1 0 477.987 4.012 20 0 JIADRO Clc1ccc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2n1 ZINC001164754359 720893235 /nfs/dbraw/zinc/89/32/35/720893235.db2.gz INZNOPVMXZHNOI-NVQXNPDNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1ccc(CN2CCCC2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757481 720894325 /nfs/dbraw/zinc/89/43/25/720894325.db2.gz VDASGNZTEFDHRS-LSYYVWMOSA-N 1 0 496.099 4.481 20 0 JIADRO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750740 720894463 /nfs/dbraw/zinc/89/44/63/720894463.db2.gz BSJXASRWAKUSID-PXDATVDWSA-N 1 0 457.018 4.284 20 0 JIADRO COc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164758155 720894525 /nfs/dbraw/zinc/89/45/25/720894525.db2.gz XFOJOJHSTTUIFQ-GBXCKJPGSA-N 1 0 492.998 4.439 20 0 JIADRO c1csc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164758439 720896600 /nfs/dbraw/zinc/89/66/00/720896600.db2.gz YCRFGNTUQQHLLS-ATIYNZHBSA-N 1 0 461.635 4.355 20 0 JIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758138 720899286 /nfs/dbraw/zinc/89/92/86/720899286.db2.gz XCGYUJORMXZTCC-LVXARBLLSA-N 1 0 496.059 4.211 20 0 JIADRO COc1ccc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750936 720900082 /nfs/dbraw/zinc/90/00/82/720900082.db2.gz CGTJOKQKGIKQOR-UFHPHHKVSA-N 1 0 458.606 4.394 20 0 JIADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164755972 720902451 /nfs/dbraw/zinc/90/24/51/720902451.db2.gz NWIDSJVJBWOUBI-LVXARBLLSA-N 1 0 485.028 4.062 20 0 JIADRO CSc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749151 720906590 /nfs/dbraw/zinc/90/65/90/720906590.db2.gz HZWKHEGETWGZDH-AUSIDOKSSA-N 1 0 460.047 4.002 20 0 JIADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752788 720907362 /nfs/dbraw/zinc/90/73/62/720907362.db2.gz OTEZVECSZRBXOB-QCDSWUKFSA-N 1 0 498.675 4.380 20 0 JIADRO COc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164752940 720911829 /nfs/dbraw/zinc/91/18/29/720911829.db2.gz PNAFERYFUHFIBX-VAVYLYDRSA-N 1 0 485.632 4.302 20 0 JIADRO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753141 720916799 /nfs/dbraw/zinc/91/67/99/720916799.db2.gz QJLXPHTWODAORC-OUTSHDOLSA-N 1 0 485.632 4.302 20 0 JIADRO c1ccc(Cc2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164754639 720920451 /nfs/dbraw/zinc/92/04/51/720920451.db2.gz WOJAYRHTYJBURN-UHSQPCAPSA-N 1 0 469.633 4.218 20 0 JIADRO Cc1csc2nc(C)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755173 720922552 /nfs/dbraw/zinc/92/25/52/720922552.db2.gz ZHQHDTSSTIKGCR-ATIYNZHBSA-N 1 0 463.651 4.458 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CCCCCC4)n2)C3)c1 ZINC001164753791 720924929 /nfs/dbraw/zinc/92/49/29/720924929.db2.gz SUZFWAWTLSTXSA-NAKRPHOHSA-N 1 0 476.669 4.007 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752152 720928677 /nfs/dbraw/zinc/92/86/77/720928677.db2.gz NHEUPNGHRKMJEV-NAKRPHOHSA-N 1 0 462.638 4.301 20 0 JIADRO COc1cc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749990 720932218 /nfs/dbraw/zinc/93/22/18/720932218.db2.gz IRCXSRXRYGVUFT-IADCTJSHSA-N 1 0 488.632 4.402 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(C)C[C@@H](COCC4CC4)[C@@H]3CC2)nc1 ZINC001164859466 721030711 /nfs/dbraw/zinc/03/07/11/721030711.db2.gz IJFUOOUAVYYCBU-ASDGIDEWSA-N 1 0 468.686 4.366 20 0 JIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC2)cc1 ZINC001164758651 721046168 /nfs/dbraw/zinc/04/61/68/721046168.db2.gz ADIKPKPMIKGCNF-UHFFFAOYSA-N 1 0 475.685 4.263 20 0 JIADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)cc2C1 ZINC001164760000 721047388 /nfs/dbraw/zinc/04/73/88/721047388.db2.gz SYYRQJHRULVLGN-QHCPKHFHSA-N 1 0 462.638 4.336 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3C2)cn1 ZINC001164765775 721099986 /nfs/dbraw/zinc/09/99/86/721099986.db2.gz JTABGQARZCHHER-RTBURBONSA-N 1 0 458.944 4.034 20 0 JIADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164877586 721142159 /nfs/dbraw/zinc/14/21/59/721142159.db2.gz OUYRIUATHQMYCW-NHCUHLMSSA-N 1 0 473.527 4.450 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164761239 721190261 /nfs/dbraw/zinc/19/02/61/721190261.db2.gz AINKDCSJJFEGPN-OLZOCXBDSA-N 1 0 450.748 4.279 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761399 721239551 /nfs/dbraw/zinc/23/95/51/721239551.db2.gz IACKXLXXOUONTJ-PMACEKPBSA-N 1 0 452.990 4.177 20 0 JIADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)nn1 ZINC001164764878 721247736 /nfs/dbraw/zinc/24/77/36/721247736.db2.gz QIBMNSQARLCIGS-ZWKOTPCHSA-N 1 0 488.970 4.042 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164879786 721253718 /nfs/dbraw/zinc/25/37/18/721253718.db2.gz YYPNSMYFEKQRKO-FCEUIQTBSA-N 1 0 476.955 4.257 20 0 JIADRO CCN1CC[C@]2(CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]2C)C1=O ZINC001164778999 721319948 /nfs/dbraw/zinc/31/99/48/721319948.db2.gz SVKRNTHLRKEBOL-CCLHPLFOSA-N 1 0 495.067 4.451 20 0 JIADRO CCN1CC[C@@]2(CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]2C)C1=O ZINC001164779001 721320259 /nfs/dbraw/zinc/32/02/59/721320259.db2.gz SVKRNTHLRKEBOL-HRFSGMKKSA-N 1 0 495.067 4.451 20 0 JIADRO CN(C)C1=NOC2(C1)CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164878034 721327066 /nfs/dbraw/zinc/32/70/66/721327066.db2.gz YABDWYVMAKDXNK-UHFFFAOYSA-N 1 0 496.055 4.391 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890479 721397489 /nfs/dbraw/zinc/39/74/89/721397489.db2.gz NMUFQBNXVOHOOC-RBTNQOKQSA-N 1 0 493.602 4.340 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)cc1 ZINC001164892870 721421872 /nfs/dbraw/zinc/42/18/72/721421872.db2.gz YZEMMWCFVCHIFF-GIGWZHCTSA-N 1 0 471.649 4.371 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896055 721431694 /nfs/dbraw/zinc/43/16/94/721431694.db2.gz QJTCUCYYAHAEJI-IFXJQAMLSA-N 1 0 483.818 4.352 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895774 721439737 /nfs/dbraw/zinc/43/97/37/721439737.db2.gz PIQQMLVRNJDADE-OZXSUGGESA-N 1 0 452.668 4.139 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C3)O2)CC1 ZINC001164892257 721442741 /nfs/dbraw/zinc/44/27/41/721442741.db2.gz HUGFBWFDGKQFDF-BVZFJXPGSA-N 1 0 488.101 4.113 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164790565 721450057 /nfs/dbraw/zinc/45/00/57/721450057.db2.gz ZITHUYXRKODBRA-QHCPKHFHSA-N 1 0 453.627 4.286 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892749 721453587 /nfs/dbraw/zinc/45/35/87/721453587.db2.gz XVVUMQNJWDOMSL-AUSIDOKSSA-N 1 0 480.987 4.305 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3nc1Cl)CC2 ZINC001164786638 721458569 /nfs/dbraw/zinc/45/85/69/721458569.db2.gz OUKMPKIXURPGFX-FQEVSTJZSA-N 1 0 459.034 4.326 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164784626 721463713 /nfs/dbraw/zinc/46/37/13/721463713.db2.gz ITLRJQAMIZOFOE-QFIPXVFZSA-N 1 0 482.625 4.011 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164791781 721465205 /nfs/dbraw/zinc/46/52/05/721465205.db2.gz ZCLDUIPHCYAZRZ-QFIPXVFZSA-N 1 0 474.646 4.163 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164791800 721465229 /nfs/dbraw/zinc/46/52/29/721465229.db2.gz ZMKYBYJXFZPDSC-KRWDZBQOSA-N 1 0 480.440 4.066 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164788717 721467000 /nfs/dbraw/zinc/46/70/00/721467000.db2.gz JENKENJBTISGSK-FQEVSTJZSA-N 1 0 465.082 4.470 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164786516 721467417 /nfs/dbraw/zinc/46/74/17/721467417.db2.gz BNZISHXRMMNJTG-JOCHJYFZSA-N 1 0 493.677 4.487 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164790089 721468629 /nfs/dbraw/zinc/46/86/29/721468629.db2.gz QUOXFZUGIBDORV-JOCHJYFZSA-N 1 0 456.656 4.247 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164786279 721470613 /nfs/dbraw/zinc/47/06/13/721470613.db2.gz AKRUDVXVBQNOAP-HSZRJFAPSA-N 1 0 496.652 4.320 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164788704 721472504 /nfs/dbraw/zinc/47/25/04/721472504.db2.gz IZLDIBRUVQAOKL-SFHVURJKSA-N 1 0 469.457 4.395 20 0 JIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164791662 721474185 /nfs/dbraw/zinc/47/41/85/721474185.db2.gz XIYLPMOVASPQDO-PZJWPPBQSA-N 1 0 455.647 4.205 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792972 721495264 /nfs/dbraw/zinc/49/52/64/721495264.db2.gz WQSCMIXNVSPZER-UHFFFAOYSA-N 1 0 476.046 4.305 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164795084 721502499 /nfs/dbraw/zinc/50/24/99/721502499.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 1 0 483.664 4.079 20 0 JIADRO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164804022 721573631 /nfs/dbraw/zinc/57/36/31/721573631.db2.gz KSJJKSSTSVMYBN-OBDYRVMHSA-N 1 0 472.589 4.107 20 0 JIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905660 721694651 /nfs/dbraw/zinc/69/46/51/721694651.db2.gz KJKPONPJTYUZPK-QGZVFWFLSA-N 1 0 464.294 4.461 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906711 721697285 /nfs/dbraw/zinc/69/72/85/721697285.db2.gz PFHSIFQOHYBRDG-JOCHJYFZSA-N 1 0 464.944 4.353 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164907847 721701684 /nfs/dbraw/zinc/70/16/84/721701684.db2.gz VDGGTARLDMJXES-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO COc1cc2nc(C)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164906063 721705748 /nfs/dbraw/zinc/70/57/48/721705748.db2.gz JOUGEOYLASLSLB-XMMPIXPASA-N 1 0 469.536 4.088 20 0 JIADRO FC1(F)CCN(c2cc(OCc3ccccc3)cnn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906725 721710794 /nfs/dbraw/zinc/71/07/94/721710794.db2.gz NWIQLPGKGCCQOX-DEOSSOPVSA-N 1 0 451.521 4.188 20 0 JIADRO Cc1nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)c1C ZINC001164908079 721712470 /nfs/dbraw/zinc/71/24/70/721712470.db2.gz VFXFBMVNZBBRJC-LJQANCHMSA-N 1 0 457.903 4.424 20 0 JIADRO CC1CCN(C(=O)c2cccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907058 721724676 /nfs/dbraw/zinc/72/46/76/721724676.db2.gz PXZXEIVUNYGRJK-VWLOTQADSA-N 1 0 469.580 4.086 20 0 JIADRO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909839 721728540 /nfs/dbraw/zinc/72/85/40/721728540.db2.gz DWLMJLGOJDWEQC-SANMLTNESA-N 1 0 493.558 4.438 20 0 JIADRO Cc1nc(-c2ccccn2)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C ZINC001164913556 721729780 /nfs/dbraw/zinc/72/97/80/721729780.db2.gz WZGQFGHHSNGWHX-DEOSSOPVSA-N 1 0 450.537 4.288 20 0 JIADRO COc1ccc(CN(C)c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909143 721732803 /nfs/dbraw/zinc/73/28/03/721732803.db2.gz CKDUAUCDRLUIPU-AREMUKBSSA-N 1 0 494.590 4.254 20 0 JIADRO C[N@H+](Cc1ccc(N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912118 721742326 /nfs/dbraw/zinc/74/23/26/721742326.db2.gz LUDRHGTTWNFEFE-NAKRPHOHSA-N 1 0 453.590 4.098 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165013069 721749778 /nfs/dbraw/zinc/74/97/78/721749778.db2.gz SOUHZKBIPIVXLW-UHFFFAOYSA-N 1 0 458.006 4.008 20 0 JIADRO CS(=O)(=O)c1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cnc1Cl ZINC001165018120 721768338 /nfs/dbraw/zinc/76/83/38/721768338.db2.gz SNRXYORZRLWBQC-UHFFFAOYSA-N 1 0 478.908 4.195 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165016899 721782619 /nfs/dbraw/zinc/78/26/19/721782619.db2.gz FLGLKTZYSRSELL-APFRJGHOSA-N 1 0 453.631 4.058 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027214 721799854 /nfs/dbraw/zinc/79/98/54/721799854.db2.gz UIHNRCUBNQOJSD-KSEOMHKRSA-N 1 0 484.604 4.191 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165027210 721810662 /nfs/dbraw/zinc/81/06/62/721810662.db2.gz TVLIGVAZRVTIDP-VPWXQRGCSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020731 721810720 /nfs/dbraw/zinc/81/07/20/721810720.db2.gz CTJFCENGZLWNDT-WDYCEAGBSA-N 1 0 464.944 4.198 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027805 721815217 /nfs/dbraw/zinc/81/52/17/721815217.db2.gz VYBNQVFJEYQZKO-YUXAGFNASA-N 1 0 456.034 4.349 20 0 JIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020680 721819398 /nfs/dbraw/zinc/81/93/98/721819398.db2.gz CJDAMXOUYSGEPS-ZCVJKFOLSA-N 1 0 495.668 4.490 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@@H]21 ZINC001165026373 721823498 /nfs/dbraw/zinc/82/34/98/721823498.db2.gz PDPRCNUASNKXOE-BUALBWRZSA-N 1 0 467.617 4.416 20 0 JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1 ZINC001165028966 721827184 /nfs/dbraw/zinc/82/71/84/721827184.db2.gz WAXQCBYBAUVJCV-CYSDGLOUSA-N 1 0 459.594 4.293 20 0 JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c(OC)c1OC ZINC001165018864 721828608 /nfs/dbraw/zinc/82/86/08/721828608.db2.gz AMGPKPVPRLXHTL-NGYIFUPDSA-N 1 0 489.620 4.301 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3sc(C)nc3C)nn2)CC1 ZINC001165031167 721844846 /nfs/dbraw/zinc/84/48/46/721844846.db2.gz WBURHTBGBNQYIN-UHFFFAOYSA-N 1 0 453.612 4.335 20 0 JIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c2ccccc21 ZINC001164923639 721869951 /nfs/dbraw/zinc/86/99/51/721869951.db2.gz JJEOVHCXGQIPLM-LEWJYISDSA-N 1 0 474.987 4.048 20 0 JIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c2ccccc21 ZINC001164923640 721869988 /nfs/dbraw/zinc/86/99/88/721869988.db2.gz JJEOVHCXGQIPLM-NHCUHLMSSA-N 1 0 474.987 4.048 20 0 JIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c2)C1 ZINC001165036511 721896060 /nfs/dbraw/zinc/89/60/60/721896060.db2.gz SBYPNKMMUFFYLW-INIZCTEOSA-N 1 0 495.983 4.159 20 0 JIADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)co1 ZINC001164931252 721901276 /nfs/dbraw/zinc/90/12/76/721901276.db2.gz PGMHESPJEGZNKD-UXHICEINSA-N 1 0 463.651 4.470 20 0 JIADRO CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C12CC3CC(CC(C3)C1)C2 ZINC001165048488 721986566 /nfs/dbraw/zinc/98/65/66/721986566.db2.gz LUUALNUKTIBGLF-FVFHPELPSA-N 1 0 454.659 4.285 20 0 JIADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164955847 722019622 /nfs/dbraw/zinc/01/96/22/722019622.db2.gz PECQURQOLNHTNH-UHFFFAOYSA-N 1 0 454.937 4.344 20 0 JIADRO O=C(NC1CCCC1)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164955623 722022108 /nfs/dbraw/zinc/02/21/08/722022108.db2.gz KOWSODBEGYUFEP-UHFFFAOYSA-N 1 0 454.018 4.295 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)n1 ZINC001164961247 722051209 /nfs/dbraw/zinc/05/12/09/722051209.db2.gz WUAKSEMLRGQHGC-REHUZNOOSA-N 1 0 480.682 4.450 20 0 JIADRO c1cc2c(nc(-c3ccncc3)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001164962555 722061426 /nfs/dbraw/zinc/06/14/26/722061426.db2.gz UFFBYAJMQOKQIB-UHFFFAOYSA-N 1 0 472.618 4.267 20 0 JIADRO c1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983395 722107543 /nfs/dbraw/zinc/10/75/43/722107543.db2.gz PUKLUBOHVXUTFG-GGAORHGYSA-N 1 0 457.603 4.481 20 0 JIADRO CSc1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164981764 722135036 /nfs/dbraw/zinc/13/50/36/722135036.db2.gz QKNAOCYVMZTWHK-NFBKMPQASA-N 1 0 463.607 4.113 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCCCC3 ZINC001164982178 722142740 /nfs/dbraw/zinc/14/27/40/722142740.db2.gz RHGYWQRESKCATA-IRLDBZIGSA-N 1 0 463.651 4.391 20 0 JIADRO Clc1ncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164972249 722154352 /nfs/dbraw/zinc/15/43/52/722154352.db2.gz HOSDHGIHLYVRCR-UGKGYDQZSA-N 1 0 451.958 4.045 20 0 JIADRO Clc1ncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164972247 722154584 /nfs/dbraw/zinc/15/45/84/722154584.db2.gz HOSDHGIHLYVRCR-KNQAVFIVSA-N 1 0 451.958 4.045 20 0 JIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973136 722156386 /nfs/dbraw/zinc/15/63/86/722156386.db2.gz LJQKAAXIUOOMBQ-AUSIDOKSSA-N 1 0 481.984 4.053 20 0 JIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973142 722156632 /nfs/dbraw/zinc/15/66/32/722156632.db2.gz LJQKAAXIUOOMBQ-WMZHIEFXSA-N 1 0 481.984 4.053 20 0 JIADRO Cc1cc2nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc(N3CCOCC3)c2s1 ZINC001164994468 722203784 /nfs/dbraw/zinc/20/37/84/722203784.db2.gz HLSRMCTVZNQXDI-VWLOTQADSA-N 1 0 467.614 4.220 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCC2 ZINC001165000493 722251922 /nfs/dbraw/zinc/25/19/22/722251922.db2.gz QKIAHZBALDWRMG-UHFFFAOYSA-N 1 0 485.366 4.167 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)cc1 ZINC001164999541 722252099 /nfs/dbraw/zinc/25/20/99/722252099.db2.gz AUBORZUYUJEDOU-UHFFFAOYSA-N 1 0 490.583 4.130 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)CCC2 ZINC001164999870 722252316 /nfs/dbraw/zinc/25/23/16/722252316.db2.gz HXAPZOVXJILWOF-UHFFFAOYSA-N 1 0 478.547 4.260 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3cc(OCc4ccccc4)ccc3n1)CCC2 ZINC001165001805 722254493 /nfs/dbraw/zinc/25/44/93/722254493.db2.gz GDNLAIHXGDGELV-UHFFFAOYSA-N 1 0 471.605 4.499 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300642338 1069310800 /nfs/dbraw/zinc/31/08/00/1069310800.db2.gz KYPZMYCLUCDXAV-FQEVSTJZSA-N 1 0 499.059 4.453 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(OC(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001300642375 1069311091 /nfs/dbraw/zinc/31/10/91/1069311091.db2.gz LHAIRBWSJJHPPC-UHFFFAOYSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001300646227 1069319463 /nfs/dbraw/zinc/31/94/63/1069319463.db2.gz GHKLEFXHNFNWAJ-SFTDATJTSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)c2)cc1 ZINC001200704517 1069332081 /nfs/dbraw/zinc/33/20/81/1069332081.db2.gz TZMCDRCMXCEHSQ-ZBLYBZFDSA-N 1 0 459.590 4.327 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001300652799 1069340634 /nfs/dbraw/zinc/34/06/34/1069340634.db2.gz RZWBAELXKCERRW-SANMLTNESA-N 1 0 499.681 4.146 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCC(C)(C)C ZINC001300651920 1069337669 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/nfs/dbraw/zinc/39/57/65/1069395765.db2.gz HJVTWNBUULAXMS-NHCUHLMSSA-N 1 0 486.730 4.230 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCCC1 ZINC001300669041 1069396575 /nfs/dbraw/zinc/39/65/75/1069396575.db2.gz IARJLHTWLZSIOU-XLIONFOSSA-N 1 0 499.603 4.221 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300669751 1069398243 /nfs/dbraw/zinc/39/82/43/1069398243.db2.gz RWBCMPWLDZGLBN-UHFFFAOYSA-N 1 0 483.686 4.213 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC=C(C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300675292 1069418389 /nfs/dbraw/zinc/41/83/89/1069418389.db2.gz GLWYLXWKKZMZHD-OAQYLSRUSA-N 1 0 471.671 4.236 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001359347132 1069419021 /nfs/dbraw/zinc/41/90/21/1069419021.db2.gz FGNRLZSWKJIPDO-XDOYNYLZSA-N 1 0 473.625 4.341 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001359347261 1069419830 /nfs/dbraw/zinc/41/98/30/1069419830.db2.gz HSWXKBDGOXJWBV-LBMBTHBCSA-N 1 0 466.674 4.058 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359348009 1069422924 /nfs/dbraw/zinc/42/29/24/1069422924.db2.gz YGSQBONZBZMSQJ-UEAVEIDSSA-N 1 0 478.666 4.418 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359348143 1069423400 /nfs/dbraw/zinc/42/34/00/1069423400.db2.gz AOEXIQNINLKWNN-ZBFGNHSLSA-N 1 0 478.685 4.451 20 0 JIADRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(I)c(Br)cc2F)C1(C)C ZINC001200732880 1069427848 /nfs/dbraw/zinc/42/78/48/1069427848.db2.gz DBJUPTFRKFQCBV-ZFWWWQNUSA-N 1 0 456.137 4.486 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2ccncc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001359348315 1069424336 /nfs/dbraw/zinc/42/43/36/1069424336.db2.gz DRRYXTIARYCKKL-CINCIDGWSA-N 1 0 474.653 4.160 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1CC(F)(F)Br ZINC001300677867 1069434056 /nfs/dbraw/zinc/43/40/56/1069434056.db2.gz VNGDETJXYGJPAN-UHFFFAOYSA-N 1 0 490.418 4.097 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCC[C@H](SC)C2)n1CC[NH+]1CCSCC1 ZINC001300677903 1069434066 /nfs/dbraw/zinc/43/40/66/1069434066.db2.gz WPABKNSWBDWUIR-IBGZPJMESA-N 1 0 493.768 4.350 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001359351630 1069434687 /nfs/dbraw/zinc/43/46/87/1069434687.db2.gz SMUHIKCASKRJQJ-QFIPXVFZSA-N 1 0 496.700 4.301 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359352388 1069435766 /nfs/dbraw/zinc/43/57/66/1069435766.db2.gz WSNDTFVAKUNQMB-SFTDATJTSA-N 1 0 484.664 4.289 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001359354152 1069438177 /nfs/dbraw/zinc/43/81/77/1069438177.db2.gz AZPIXKCAEMUNOW-UHFFFAOYSA-N 1 0 496.700 4.186 20 0 JIADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359356585 1069444645 /nfs/dbraw/zinc/44/46/45/1069444645.db2.gz OPEWOBKRCNUDHL-FQEVSTJZSA-N 1 0 473.065 4.168 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300680562 1069444686 /nfs/dbraw/zinc/44/46/86/1069444686.db2.gz WSDZYARWVSQMPH-SFTDATJTSA-N 1 0 473.687 4.316 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CSc3ccc(C)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001359363401 1069456328 /nfs/dbraw/zinc/45/63/28/1069456328.db2.gz QYBNIOUJWWUTFT-JOCHJYFZSA-N 1 0 484.714 4.058 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001359383029 1069487611 /nfs/dbraw/zinc/48/76/11/1069487611.db2.gz RIXVBTYWQYADEF-WOJBJXKFSA-N 1 0 491.080 4.086 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001359383028 1069487676 /nfs/dbraw/zinc/48/76/76/1069487676.db2.gz RIXVBTYWQYADEF-VQTJNVASSA-N 1 0 491.080 4.086 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359385545 1069492356 /nfs/dbraw/zinc/49/23/56/1069492356.db2.gz DNAMWLDCEQMACG-VXKWHMMOSA-N 1 0 480.701 4.422 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2cccs2)[NH+](C)C)[C@H](C)C1 ZINC001359386065 1069493972 /nfs/dbraw/zinc/49/39/72/1069493972.db2.gz SIJQMSMPVMJDFG-OXQOHEQNSA-N 1 0 473.046 4.020 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001359386049 1069493987 /nfs/dbraw/zinc/49/39/87/1069493987.db2.gz RXHFCYNBBIDXHY-FQEVSTJZSA-N 1 0 473.065 4.312 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001359387131 1069496260 /nfs/dbraw/zinc/49/62/60/1069496260.db2.gz XDAUAJPRFKHTPL-QFIPXVFZSA-N 1 0 496.700 4.301 20 0 JIADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001359394685 1069499058 /nfs/dbraw/zinc/49/90/58/1069499058.db2.gz BKYPEQWUQBQHTB-VXNXHJTFSA-N 1 0 494.728 4.267 20 0 JIADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC001359395714 1069500070 /nfs/dbraw/zinc/50/00/70/1069500070.db2.gz GKRPRFFTUCGUBU-HSZRJFAPSA-N 1 0 484.689 4.040 20 0 JIADRO CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001359409653 1069523319 /nfs/dbraw/zinc/52/33/19/1069523319.db2.gz CPRKRKFSKFRGNP-QFIPXVFZSA-N 1 0 452.647 4.186 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001359414782 1069540324 /nfs/dbraw/zinc/54/03/24/1069540324.db2.gz YLUCEXFEYVVFEN-DLQXEOFGSA-N 1 0 482.673 4.143 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359423568 1069547591 /nfs/dbraw/zinc/54/75/91/1069547591.db2.gz LUDQLQZXOJPHGR-GIFXNVAJSA-N 1 0 496.700 4.029 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359424886 1069549915 /nfs/dbraw/zinc/54/99/15/1069549915.db2.gz OIJBEHIOGOMVNA-GGAORHGYSA-N 1 0 484.714 4.104 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359432303 1069558004 /nfs/dbraw/zinc/55/80/04/1069558004.db2.gz MZXPQHSJCPXDOP-FPOVZHCZSA-N 1 0 486.730 4.214 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001359433441 1069560272 /nfs/dbraw/zinc/56/02/72/1069560272.db2.gz INDVZJFTJSGDCQ-QFIPXVFZSA-N 1 0 466.674 4.081 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001359433675 1069561496 /nfs/dbraw/zinc/56/14/96/1069561496.db2.gz NGYCQTOCVOGGLV-ZBLYBZFDSA-N 1 0 498.741 4.032 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359438084 1069567184 /nfs/dbraw/zinc/56/71/84/1069567184.db2.gz SUBFQAJPJCQJEO-DHLKQENFSA-N 1 0 480.701 4.042 20 0 JIADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359438177 1069567436 /nfs/dbraw/zinc/56/74/36/1069567436.db2.gz VOPYEZGDRIPMQH-ZJSXRUAMSA-N 1 0 480.701 4.040 20 0 JIADRO CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359460740 1069583799 /nfs/dbraw/zinc/58/37/99/1069583799.db2.gz YSGZFHFEDZSOKG-QHCPKHFHSA-N 1 0 480.701 4.184 20 0 JIADRO CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359460739 1069583842 /nfs/dbraw/zinc/58/38/42/1069583842.db2.gz YSGZFHFEDZSOKG-HSZRJFAPSA-N 1 0 480.701 4.184 20 0 JIADRO CC(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359455998 1069581599 /nfs/dbraw/zinc/58/15/99/1069581599.db2.gz KEEIWGIVLVEGKA-UHFFFAOYSA-N 1 0 479.456 4.233 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359464675 1069593195 /nfs/dbraw/zinc/59/31/95/1069593195.db2.gz BGCWCSXDDBGTKN-UQBPGWFLSA-N 1 0 472.703 4.260 20 0 JIADRO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359488271 1069674305 /nfs/dbraw/zinc/67/43/05/1069674305.db2.gz VSMXCVAGSZAKSM-UHFFFAOYSA-N 1 0 498.691 4.359 20 0 JIADRO CC(C)(C)C(=O)NCCn1c(-c2ccccc2Cl)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359492797 1069715629 /nfs/dbraw/zinc/71/56/29/1069715629.db2.gz YJQWUIUGYXOCHQ-UHFFFAOYSA-N 1 0 473.065 4.216 20 0 JIADRO CC(C)(C)c1csc(CCn2c(Cc3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001359500297 1069757704 /nfs/dbraw/zinc/75/77/04/1069757704.db2.gz PSFLIHVVTJFPQU-UHFFFAOYSA-N 1 0 467.687 4.181 20 0 JIADRO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359505035 1069774531 /nfs/dbraw/zinc/77/45/31/1069774531.db2.gz NKGCCLLLXDUFPA-FQEVSTJZSA-N 1 0 494.606 4.467 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359505626 1069776392 /nfs/dbraw/zinc/77/63/92/1069776392.db2.gz JZAUJEBKDPMTAH-UHFFFAOYSA-N 1 0 458.695 4.213 20 0 JIADRO CC(C)(C)c1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCC[NH+]1CCCC1 ZINC001359517365 1069804150 /nfs/dbraw/zinc/80/41/50/1069804150.db2.gz TWNXWSOTLNZHQP-FQEVSTJZSA-N 1 0 476.463 4.402 20 0 JIADRO CC(C)(C)c1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)on1 ZINC001359518473 1069805387 /nfs/dbraw/zinc/80/53/87/1069805387.db2.gz CIINFCGEPYSDEA-UHFFFAOYSA-N 1 0 454.594 4.262 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001359526916 1069816536 /nfs/dbraw/zinc/81/65/36/1069816536.db2.gz WCDCBQAJDLECFC-NRFANRHFSA-N 1 0 477.575 4.180 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCCn1cc(Br)cn1 ZINC001359530866 1069822946 /nfs/dbraw/zinc/82/29/46/1069822946.db2.gz UGXAZTPQJGPNKD-FQEVSTJZSA-N 1 0 492.510 4.371 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1sccc1Br ZINC001359529183 1069819178 /nfs/dbraw/zinc/81/91/78/1069819178.db2.gz LFDOSVNSADDXDB-UHFFFAOYSA-N 1 0 496.519 4.288 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCc1ccc(O)cc1 ZINC001359529545 1069819987 /nfs/dbraw/zinc/81/99/87/1069819987.db2.gz XZCNDBYTCZTKJG-UHFFFAOYSA-N 1 0 469.674 4.144 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCCn1cc(Br)cn1 ZINC001359535708 1069830089 /nfs/dbraw/zinc/83/00/89/1069830089.db2.gz XHSUKPSPOIBJRD-FQEVSTJZSA-N 1 0 492.510 4.371 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCOc1ccccc1Cl ZINC001359537521 1069832466 /nfs/dbraw/zinc/83/24/66/1069832466.db2.gz BWEHWNJIONVDRV-FQEVSTJZSA-N 1 0 476.065 4.148 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(Cl)s1 ZINC001359537864 1069833110 /nfs/dbraw/zinc/83/31/10/1069833110.db2.gz SXYZOUBRSBLCFF-KRWDZBQOSA-N 1 0 452.068 4.179 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359539455 1069836377 /nfs/dbraw/zinc/83/63/77/1069836377.db2.gz ILMBJBMMYRAIRG-IEBWSBKVSA-N 1 0 457.585 4.461 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC[NH+]1CCSCC1 ZINC001359541909 1069840003 /nfs/dbraw/zinc/84/00/03/1069840003.db2.gz LGOSWSHGDFXAQW-FQEVSTJZSA-N 1 0 464.079 4.147 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCSC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359543953 1069842265 /nfs/dbraw/zinc/84/22/65/1069842265.db2.gz XLFLWONOWYWJDC-UHFFFAOYSA-N 1 0 471.715 4.204 20 0 JIADRO CC(C)(C)CCCn1c(-c2cccnc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359544284 1069843241 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KNGOGAXAXMFMSB-UHFFFAOYSA-N 1 0 450.656 4.355 20 0 JIADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001359613992 1070080185 /nfs/dbraw/zinc/08/01/85/1070080185.db2.gz PKHNEDSKANLRKW-RBBKRZOGSA-N 1 0 486.730 4.415 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359619587 1070090067 /nfs/dbraw/zinc/09/00/67/1070090067.db2.gz ALHTULGTAAXGKB-NFBKMPQASA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001359619594 1070090661 /nfs/dbraw/zinc/09/06/61/1070090661.db2.gz ANJLWBZJVZVCGW-OAQYLSRUSA-N 1 0 470.637 4.091 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359620220 1070092413 /nfs/dbraw/zinc/09/24/13/1070092413.db2.gz NFPKWACLBOCGSK-SFTDATJTSA-N 1 0 466.655 4.051 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359620219 1070092739 /nfs/dbraw/zinc/09/27/39/1070092739.db2.gz NFPKWACLBOCGSK-RTWAWAEBSA-N 1 0 466.655 4.051 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359620691 1070095272 /nfs/dbraw/zinc/09/52/72/1070095272.db2.gz WQBKNQQYSVIEJS-UPVQGACJSA-N 1 0 466.674 4.341 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001359624044 1070107460 /nfs/dbraw/zinc/10/74/60/1070107460.db2.gz NCDGJAGNTAWHEK-QHCPKHFHSA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001359625714 1070115625 /nfs/dbraw/zinc/11/56/25/1070115625.db2.gz QUUVKPRQLRYVMZ-QFIPXVFZSA-N 1 0 472.653 4.050 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359626117 1070117817 /nfs/dbraw/zinc/11/78/17/1070117817.db2.gz DJECIOKERMTVSR-UGKGYDQZSA-N 1 0 472.653 4.006 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359628913 1070136717 /nfs/dbraw/zinc/13/67/17/1070136717.db2.gz LRNQTCTXKYRJOU-GOTSBHOMSA-N 1 0 498.691 4.261 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359630214 1070144552 /nfs/dbraw/zinc/14/45/52/1070144552.db2.gz NPQZSWGKAKXKIB-UHFFFAOYSA-N 1 0 487.092 4.463 20 0 JIADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359639212 1070173162 /nfs/dbraw/zinc/17/31/62/1070173162.db2.gz VPWKNUNDJSEAQQ-NHCUHLMSSA-N 1 0 487.092 4.462 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001359655165 1070222748 /nfs/dbraw/zinc/22/27/48/1070222748.db2.gz QEGCGULIZDZJJX-LJQANCHMSA-N 1 0 486.730 4.073 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCCO)CC1)[NH+]1CCCC1 ZINC001359657108 1070241980 /nfs/dbraw/zinc/24/19/80/1070241980.db2.gz BNRFQCFXRANIBK-NRFANRHFSA-N 1 0 493.494 4.145 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001359657306 1070243783 /nfs/dbraw/zinc/24/37/83/1070243783.db2.gz 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YEKMYLLIOZEZLC-SFHVURJKSA-N 1 0 470.021 4.298 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315516123 1064464215 /nfs/dbraw/zinc/46/42/15/1064464215.db2.gz ZHGLMJZYQZRXGG-UHFFFAOYSA-N 1 0 474.669 4.164 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001315524044 1064496817 /nfs/dbraw/zinc/49/68/17/1064496817.db2.gz QWWYMTBFMFVPFI-LJQANCHMSA-N 1 0 470.643 4.079 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001315527411 1064504498 /nfs/dbraw/zinc/50/44/98/1064504498.db2.gz URBOTSDKWMHIDS-UHFFFAOYSA-N 1 0 485.032 4.425 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(-c4cccc(C)n4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001315528467 1064507582 /nfs/dbraw/zinc/50/75/82/1064507582.db2.gz ZRXWCVMFUOAKBN-UHFFFAOYSA-N 1 0 464.614 4.045 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315529302 1064510684 /nfs/dbraw/zinc/51/06/84/1064510684.db2.gz UUNNJCOZLSKIGZ-AUSIDOKSSA-N 1 0 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COc1cccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315550674 1064567477 /nfs/dbraw/zinc/56/74/77/1064567477.db2.gz ZDPRZFMXWRFMOP-BJKOFHAPSA-N 1 0 480.682 4.153 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001315556672 1064576357 /nfs/dbraw/zinc/57/63/57/1064576357.db2.gz SJUBYDILVANMHR-NHCUHLMSSA-N 1 0 453.631 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001315559133 1064583672 /nfs/dbraw/zinc/58/36/72/1064583672.db2.gz OCYFGSNZCHYIPT-LJQANCHMSA-N 1 0 486.661 4.081 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001315561055 1064586030 /nfs/dbraw/zinc/58/60/30/1064586030.db2.gz YYKXSZGVRGAOHH-NRFANRHFSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001315561570 1064587429 /nfs/dbraw/zinc/58/74/29/1064587429.db2.gz XXUKMQHPPWUEAP-OAQYLSRUSA-N 1 0 484.689 4.063 20 0 JIADRO 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COc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315575890 1064631999 /nfs/dbraw/zinc/63/19/99/1064631999.db2.gz WEJSTEHWZDWHMW-XMMPIXPASA-N 1 0 455.647 4.183 20 0 JIADRO COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)c1OC ZINC001315583162 1064653199 /nfs/dbraw/zinc/65/31/99/1064653199.db2.gz ZDPATXKSCWWMNI-UHFFFAOYSA-N 1 0 499.700 4.261 20 0 JIADRO COc1cccc(O[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001315584242 1064657907 /nfs/dbraw/zinc/65/79/07/1064657907.db2.gz FTSJOMVJGOCTHV-IBGZPJMESA-N 1 0 453.587 4.243 20 0 JIADRO COc1cccc(Cl)c1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315586771 1064666828 /nfs/dbraw/zinc/66/68/28/1064666828.db2.gz BUMWSTNDNLLKJS-FQEVSTJZSA-N 1 0 476.065 4.439 20 0 JIADRO COc1cccc(O[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001315588078 1064671224 /nfs/dbraw/zinc/67/12/24/1064671224.db2.gz XQYMICGFQMXSFU-OAQYLSRUSA-N 1 0 478.641 4.051 20 0 JIADRO 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COC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001315900456 1065371794 /nfs/dbraw/zinc/37/17/94/1065371794.db2.gz WTEHIMXNXHXRHN-RPWUZVMVSA-N 1 0 469.674 4.457 20 0 JIADRO COC[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315900390 1065371826 /nfs/dbraw/zinc/37/18/26/1065371826.db2.gz WQUBYKJQOCNRKV-GMAHTHKFSA-N 1 0 455.647 4.069 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001315900811 1065373514 /nfs/dbraw/zinc/37/35/14/1065373514.db2.gz FCZBGKBNUBZUEO-NQIIRXRSSA-N 1 0 474.005 4.269 20 0 JIADRO COCC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001315902820 1065380400 /nfs/dbraw/zinc/38/04/00/1065380400.db2.gz OSIHYYKISOXQPZ-XMMPIXPASA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315902763 1065380475 /nfs/dbraw/zinc/38/04/75/1065380475.db2.gz UWVJGDIJVYJGKO-YPAWHYETSA-N 1 0 461.695 4.182 20 0 JIADRO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001315906796 1065392060 /nfs/dbraw/zinc/39/20/60/1065392060.db2.gz PLUUWAOPWVUTTP-XUVXKRRUSA-N 1 0 462.038 4.276 20 0 JIADRO COCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001315909393 1065400930 /nfs/dbraw/zinc/40/09/30/1065400930.db2.gz OGDVIHVXMPZDSH-JOCHJYFZSA-N 1 0 468.042 4.038 20 0 JIADRO COCC1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315912962 1065408414 /nfs/dbraw/zinc/40/84/14/1065408414.db2.gz JKXMANRHUBXGCI-WOJBJXKFSA-N 1 0 454.663 4.268 20 0 JIADRO COCC1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001315914265 1065409864 /nfs/dbraw/zinc/40/98/64/1065409864.db2.gz PPPUGEVYNNBYPR-HSZRJFAPSA-N 1 0 455.647 4.185 20 0 JIADRO COC[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315917348 1065417215 /nfs/dbraw/zinc/41/72/15/1065417215.db2.gz GXVIIBYBLKNDJJ-AWRGLXIESA-N 1 0 469.674 4.315 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H](C)O1 ZINC001315929448 1065446373 /nfs/dbraw/zinc/44/63/73/1065446373.db2.gz NJFOMNQMDBFKHY-NNWRFLSQSA-N 1 0 489.730 4.492 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001315931371 1065451501 /nfs/dbraw/zinc/45/15/01/1065451501.db2.gz ROKFVLLXCNIIMA-IPJJNNNSSA-N 1 0 476.065 4.207 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001315932027 1065454001 /nfs/dbraw/zinc/45/40/01/1065454001.db2.gz SCZBHRQWGLBZMY-OFAXGOBFSA-N 1 0 476.065 4.349 20 0 JIADRO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC001315932944 1065456424 /nfs/dbraw/zinc/45/64/24/1065456424.db2.gz MERNYUKCLCLJAV-IEBWSBKVSA-N 1 0 480.028 4.100 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H](C)O1 ZINC001315937296 1065467966 /nfs/dbraw/zinc/46/79/66/1065467966.db2.gz VJVIYIJQWJZHPQ-MZKRTTBSSA-N 1 0 476.065 4.207 20 0 JIADRO COC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC001315942110 1065473657 /nfs/dbraw/zinc/47/36/57/1065473657.db2.gz HEWCINYGFUKFTB-FPOVZHCZSA-N 1 0 491.627 4.042 20 0 JIADRO COC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001315946789 1065480429 /nfs/dbraw/zinc/48/04/29/1065480429.db2.gz CMVITIUYIGWULI-VABKMULXSA-N 1 0 487.714 4.383 20 0 JIADRO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC001315953989 1065494700 /nfs/dbraw/zinc/49/47/00/1065494700.db2.gz MTHWUVFOSPGUEI-NKKJXINNSA-N 1 0 499.681 4.078 20 0 JIADRO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001315957777 1065506710 /nfs/dbraw/zinc/50/67/10/1065506710.db2.gz VCGQPEQCHVQITR-UHFFFAOYSA-N 1 0 494.055 4.349 20 0 JIADRO COCCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCCC1 ZINC001315981757 1065545664 /nfs/dbraw/zinc/54/56/64/1065545664.db2.gz PJKVWPFYNFXHBQ-UHFFFAOYSA-N 1 0 455.647 4.471 20 0 JIADRO COCCC1(Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCCC1 ZINC001315982940 1065549147 /nfs/dbraw/zinc/54/91/47/1065549147.db2.gz CNTXAQQKOOUOTL-UHFFFAOYSA-N 1 0 456.679 4.439 20 0 JIADRO COCCC1(Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC001315988164 1065557914 /nfs/dbraw/zinc/55/79/14/1065557914.db2.gz VFLPVHYYSNOIIY-UHFFFAOYSA-N 1 0 469.674 4.395 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001315993169 1065569171 /nfs/dbraw/zinc/56/91/71/1065569171.db2.gz KZQMIIWQKPOXGV-SIKLNZKXSA-N 1 0 453.587 4.021 20 0 JIADRO COCC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001315993926 1065571072 /nfs/dbraw/zinc/57/10/72/1065571072.db2.gz VBHSBAKPJJOIBA-AQNXPRMDSA-N 1 0 462.038 4.419 20 0 JIADRO COCC[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315994633 1065572658 /nfs/dbraw/zinc/57/26/58/1065572658.db2.gz BCQWVALCEIXKKW-QUCCMNQESA-N 1 0 460.692 4.007 20 0 JIADRO 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COCCO[C@@H](C)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316184935 1065870327 /nfs/dbraw/zinc/87/03/27/1065870327.db2.gz LTQTXMCQBZAQOG-AOMKIAJQSA-N 1 0 491.608 4.207 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316186650 1065872991 /nfs/dbraw/zinc/87/29/91/1065872991.db2.gz RRUQDKJQNWIBBY-LJQANCHMSA-N 1 0 476.065 4.340 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1CC[N@H+](C)C1CCCCC1 ZINC001316187270 1065874284 /nfs/dbraw/zinc/87/42/84/1065874284.db2.gz UBKCCPUOWHKLCB-IBGZPJMESA-N 1 0 476.065 4.483 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCc3ccccc3CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001316188945 1065877787 /nfs/dbraw/zinc/87/77/87/1065877787.db2.gz WYOZSZIBKAZJOD-BWKNWUBXSA-N 1 0 469.674 4.118 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H]2c2ccco2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316192566 1065884537 /nfs/dbraw/zinc/88/45/37/1065884537.db2.gz LNMHZLDUHTVPRI-HBMCJLEFSA-N 1 0 459.635 4.447 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001316192660 1065885092 /nfs/dbraw/zinc/88/50/92/1065885092.db2.gz FJJQEVBRPGUMEZ-IILZIBOQSA-N 1 0 491.721 4.034 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001316197026 1065892872 /nfs/dbraw/zinc/89/28/72/1065892872.db2.gz BTORFHGXPZGLRI-FHWLQOOXSA-N 1 0 475.600 4.291 20 0 JIADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1ccc(F)cc1Cl ZINC001316196957 1065892993 /nfs/dbraw/zinc/89/29/93/1065892993.db2.gz HCKXMXZHSLGTFR-LJQANCHMSA-N 1 0 494.055 4.492 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCCCCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001316198508 1065895265 /nfs/dbraw/zinc/89/52/65/1065895265.db2.gz JOONUQOWNIYRRF-NRFANRHFSA-N 1 0 465.708 4.134 20 0 JIADRO COCCO[C@@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001316201238 1065899100 /nfs/dbraw/zinc/89/91/00/1065899100.db2.gz PNXLOKFUHFXBPN-YADHBBJMSA-N 1 0 455.647 4.077 20 0 JIADRO 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COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001316214279 1065922919 /nfs/dbraw/zinc/92/29/19/1065922919.db2.gz MRTJRVVSBIIVDY-GMAHTHKFSA-N 1 0 491.627 4.458 20 0 JIADRO COCCOc1ccc(Cn2c(N3CC[NH+](CCc4cccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001316226187 1065944998 /nfs/dbraw/zinc/94/49/98/1065944998.db2.gz CNVAYZIYFHVNGS-UHFFFAOYSA-N 1 0 483.682 4.075 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001316232733 1065960334 /nfs/dbraw/zinc/96/03/34/1065960334.db2.gz FEFSKIJUCXHHAW-PKTZIBPZSA-N 1 0 455.647 4.006 20 0 JIADRO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001316233415 1065961681 /nfs/dbraw/zinc/96/16/81/1065961681.db2.gz HXMHSBWFVKHRAB-TZBSWOFLSA-N 1 0 499.700 4.342 20 0 JIADRO COCCO[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001316234458 1065964951 /nfs/dbraw/zinc/96/49/51/1065964951.db2.gz GWVZIMHGKXSTRQ-GMAHTHKFSA-N 1 0 461.695 4.153 20 0 JIADRO 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493.668 4.007 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316374115 1066130664 /nfs/dbraw/zinc/13/06/64/1066130664.db2.gz BOGFGFZMHRSTMA-DLBZAZTESA-N 1 0 450.052 4.040 20 0 JIADRO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316376995 1066140428 /nfs/dbraw/zinc/14/04/28/1066140428.db2.gz LMBVKQYKFCSBDC-APWZRJJASA-N 1 0 489.487 4.498 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001316380323 1066148749 /nfs/dbraw/zinc/14/87/49/1066148749.db2.gz YNDCUIXTOYJXTF-HXUWFJFHSA-N 1 0 450.656 4.440 20 0 JIADRO CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)C(C)(C)C ZINC001316388572 1066160609 /nfs/dbraw/zinc/16/06/09/1066160609.db2.gz NEMXVDQGOCFOBI-XVAXZDLZSA-N 1 0 499.729 4.404 20 0 JIADRO CS[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001316389048 1066161574 /nfs/dbraw/zinc/16/15/74/1066161574.db2.gz YREWYFOGBQEOOU-VQTJNVASSA-N 1 0 490.743 4.114 20 0 JIADRO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001316391266 1066164622 /nfs/dbraw/zinc/16/46/22/1066164622.db2.gz IATHZBSXJMAZIQ-WTIAFYNJSA-N 1 0 490.762 4.092 20 0 JIADRO CS[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001316393327 1066168736 /nfs/dbraw/zinc/16/87/36/1066168736.db2.gz IDUYXMYHGKZPIA-JTHBVZDNSA-N 1 0 489.705 4.334 20 0 JIADRO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001316393330 1066168745 /nfs/dbraw/zinc/16/87/45/1066168745.db2.gz IESMDKJKFGPHPJ-BHDDXSALSA-N 1 0 457.688 4.270 20 0 JIADRO CS[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)C(C)(C)C ZINC001316394280 1066169919 /nfs/dbraw/zinc/16/99/19/1066169919.db2.gz HYWCEVPPMREWPT-NRFANRHFSA-N 1 0 492.684 4.266 20 0 JIADRO CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001316395780 1066172374 /nfs/dbraw/zinc/17/23/74/1066172374.db2.gz QNFSHNHJSJPBSJ-DEOSSOPVSA-N 1 0 478.710 4.406 20 0 JIADRO CSC1(Cn2c(C(C)C)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316397307 1066174949 /nfs/dbraw/zinc/17/49/49/1066174949.db2.gz CSKHMBPJEWAGTO-WOJBJXKFSA-N 1 0 494.750 4.359 20 0 JIADRO CSC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCC2(C)C)CC[NH+](C)CC1 ZINC001316399994 1066177408 /nfs/dbraw/zinc/17/74/08/1066177408.db2.gz TZLSPQFCQYHTIS-UHFFFAOYSA-N 1 0 491.105 4.068 20 0 JIADRO CSC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccon2)CC[NH+](C)CC1 ZINC001316401163 1066179014 /nfs/dbraw/zinc/17/90/14/1066179014.db2.gz MOUORUSIDPWAFS-QGZVFWFLSA-N 1 0 474.606 4.009 20 0 JIADRO CSC1(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)F)CC[NH+](C)CC1 ZINC001316404405 1066186191 /nfs/dbraw/zinc/18/61/91/1066186191.db2.gz WGVHHPGOVBMNPY-UHFFFAOYSA-N 1 0 475.613 4.050 20 0 JIADRO CSC1(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(F)c(F)c2)CC[NH+](C)CC1 ZINC001316406366 1066189436 /nfs/dbraw/zinc/18/94/36/1066189436.db2.gz LYWMYNVVORZUSI-UHFFFAOYSA-N 1 0 472.609 4.391 20 0 JIADRO CSC1(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC001316407046 1066189909 /nfs/dbraw/zinc/18/99/09/1066189909.db2.gz QCTMNNLYSKWSPR-UHFFFAOYSA-N 1 0 498.619 4.025 20 0 JIADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC001316408624 1066192896 /nfs/dbraw/zinc/19/28/96/1066192896.db2.gz NKHSKODNPMXNSH-JOCHJYFZSA-N 1 0 471.715 4.256 20 0 JIADRO CSC1(Cn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C(C)C)C2)CC[NH+](C)CC1 ZINC001316409550 1066195336 /nfs/dbraw/zinc/19/53/36/1066195336.db2.gz JHEINJQHEIHENO-OAQYLSRUSA-N 1 0 457.688 4.209 20 0 JIADRO CSC1(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316409824 1066195959 /nfs/dbraw/zinc/19/59/59/1066195959.db2.gz IPBXPYRBYBJDRM-HSZRJFAPSA-N 1 0 487.714 4.244 20 0 JIADRO CSC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)CC[NH+](C)CC1 ZINC001316410574 1066198672 /nfs/dbraw/zinc/19/86/72/1066198672.db2.gz XITNYCAHRPVFKP-UHFFFAOYSA-N 1 0 487.714 4.343 20 0 JIADRO CSc1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)C)CC2)ccn1 ZINC001316413033 1066204433 /nfs/dbraw/zinc/20/44/33/1066204433.db2.gz DKDRKDRHSBYZCT-UHFFFAOYSA-N 1 0 493.500 4.465 20 0 JIADRO CSc1ccc(F)cc1Cn1c(N2CCC[C@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001316419539 1066221968 /nfs/dbraw/zinc/22/19/68/1066221968.db2.gz UHZPRHHIGWOLSQ-GOSISDBHSA-N 1 0 461.651 4.034 20 0 JIADRO CSc1ccc(CCn2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001316419697 1066222631 /nfs/dbraw/zinc/22/26/31/1066222631.db2.gz HXBJXZYQQKQXGM-NRFANRHFSA-N 1 0 457.688 4.089 20 0 JIADRO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001324830724 1066230422 /nfs/dbraw/zinc/23/04/22/1066230422.db2.gz JXRLDTDVCMLRRO-HXUWFJFHSA-N 1 0 453.612 4.464 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001316424316 1066239123 /nfs/dbraw/zinc/23/91/23/1066239123.db2.gz SDXFSZHLQJUSAY-JQYIIUTOSA-N 1 0 487.714 4.344 20 0 JIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC001325215428 1066239807 /nfs/dbraw/zinc/23/98/07/1066239807.db2.gz NONLPSUPELNTMJ-OFNKIYASSA-N 1 0 498.583 4.443 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316424768 1066240927 /nfs/dbraw/zinc/24/09/27/1066240927.db2.gz WTKQMJUCORGDOL-UTKZUKDTSA-N 1 0 467.108 4.153 20 0 JIADRO CSc1ccccc1CN(C)c1nnc([C@@H]2CCCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316426165 1066245103 /nfs/dbraw/zinc/24/51/03/1066245103.db2.gz VXRVTZYWNPKZPB-NRFANRHFSA-N 1 0 473.687 4.113 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001492499304 1066245127 /nfs/dbraw/zinc/24/51/27/1066245127.db2.gz LPKYNKXZFMGPFR-UHFFFAOYSA-N 1 0 488.105 4.273 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316426534 1066247116 /nfs/dbraw/zinc/24/71/16/1066247116.db2.gz JCZNBZJFZJSOJX-RBUKOAKNSA-N 1 0 464.079 4.289 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492499539 1066250161 /nfs/dbraw/zinc/25/01/61/1066250161.db2.gz QVHFJSNPXJZWEH-SAAKCEJXSA-N 1 0 494.709 4.390 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001316427527 1066252113 /nfs/dbraw/zinc/25/21/13/1066252113.db2.gz JLMPSNXBJSHZPS-RBUKOAKNSA-N 1 0 460.673 4.252 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001316428463 1066255408 /nfs/dbraw/zinc/25/54/08/1066255408.db2.gz PBXUUNFMRJACRD-JOCHJYFZSA-N 1 0 491.149 4.270 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001316428660 1066256710 /nfs/dbraw/zinc/25/67/10/1066256710.db2.gz VCJGZGNKLJWDOU-JOCHJYFZSA-N 1 0 480.682 4.359 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001492499699 1066259748 /nfs/dbraw/zinc/25/97/48/1066259748.db2.gz VAOBIVMZPPTWJJ-JXNPFXPLSA-N 1 0 480.682 4.143 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3csc(Br)c3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492500461 1066285457 /nfs/dbraw/zinc/28/54/57/1066285457.db2.gz FWRDIJFZGSWGGE-UHFFFAOYSA-N 1 0 463.449 4.449 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(-c2cnccn2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001316436408 1066288446 /nfs/dbraw/zinc/28/84/46/1066288446.db2.gz GUKGYGCGBMRBOH-AZUAARDMSA-N 1 0 451.644 4.196 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC001326471298 1066298505 /nfs/dbraw/zinc/29/85/05/1066298505.db2.gz SKSSBMNDSQJLBC-UHFFFAOYSA-N 1 0 456.590 4.040 20 0 JIADRO COCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001326471571 1066298806 /nfs/dbraw/zinc/29/88/06/1066298806.db2.gz XUQYTYPCPPECJB-LJQANCHMSA-N 1 0 478.559 4.376 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001316440592 1066299445 /nfs/dbraw/zinc/29/94/45/1066299445.db2.gz XZBZMNFGHTVBLZ-HXUWFJFHSA-N 1 0 463.692 4.167 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001316442401 1066304593 /nfs/dbraw/zinc/30/45/93/1066304593.db2.gz LCQDFRGNSZYKJT-BJLQDIEVSA-N 1 0 478.732 4.139 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001316444291 1066311384 /nfs/dbraw/zinc/31/13/84/1066311384.db2.gz BBQYDWLVJCOZKE-LJQANCHMSA-N 1 0 460.717 4.280 20 0 JIADRO Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001327192183 1066312831 /nfs/dbraw/zinc/31/28/31/1066312831.db2.gz MVYUHIJPPWMAQN-SFHVURJKSA-N 1 0 462.685 4.152 20 0 JIADRO COc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OCc1ccc2ccccc2n1 ZINC001327208111 1066313780 /nfs/dbraw/zinc/31/37/80/1066313780.db2.gz DPUZHXASGKXEOZ-UHFFFAOYSA-N 1 0 460.538 4.225 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001316445044 1066313744 /nfs/dbraw/zinc/31/37/44/1066313744.db2.gz DGVIZNIQJDHQJD-WOJBJXKFSA-N 1 0 468.671 4.039 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316445130 1066313819 /nfs/dbraw/zinc/31/38/19/1066313819.db2.gz GERFCHGJWFRWPK-SFHVURJKSA-N 1 0 479.094 4.216 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492503467 1066314426 /nfs/dbraw/zinc/31/44/26/1066314426.db2.gz IYSLJPWCFHFCHC-NRFANRHFSA-N 1 0 466.605 4.423 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001492503621 1066316257 /nfs/dbraw/zinc/31/62/57/1066316257.db2.gz OYPZWSDFBLABNF-OAQYLSRUSA-N 1 0 464.545 4.199 20 0 JIADRO O[C@@H](C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)COc1ccc(Br)cc1 ZINC001327997413 1066320714 /nfs/dbraw/zinc/32/07/14/1066320714.db2.gz RSCOVNXMLKPHOX-UGKGYDQZSA-N 1 0 456.384 4.101 20 0 JIADRO Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492504780 1066322338 /nfs/dbraw/zinc/32/23/38/1066322338.db2.gz IMZRJZIMPYSADH-BGYRXZFFSA-N 1 0 454.663 4.146 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316447769 1066322458 /nfs/dbraw/zinc/32/24/58/1066322458.db2.gz REOKBTHFWAVTDS-UXHICEINSA-N 1 0 473.687 4.415 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001316449059 1066325205 /nfs/dbraw/zinc/32/52/05/1066325205.db2.gz XTNPTMKRYRXIQS-OALUTQOASA-N 1 0 459.660 4.374 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001316449627 1066326680 /nfs/dbraw/zinc/32/66/80/1066326680.db2.gz IJPCZVSWGHHGGH-HXUWFJFHSA-N 1 0 475.678 4.231 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316449693 1066327038 /nfs/dbraw/zinc/32/70/38/1066327038.db2.gz IWZOANGQNOJQSM-JTAQYXEDSA-N 1 0 473.687 4.489 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001316450528 1066329092 /nfs/dbraw/zinc/32/90/92/1066329092.db2.gz OGNSZVUJZCJTJN-SLFFLAALSA-N 1 0 480.723 4.113 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492508629 1066334305 /nfs/dbraw/zinc/33/43/05/1066334305.db2.gz WGDOBIDDQNRKBL-CYFREDJKSA-N 1 0 494.606 4.443 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492508688 1066334631 /nfs/dbraw/zinc/33/46/31/1066334631.db2.gz XKUGAIJNGVQYTO-OYRHEFFESA-N 1 0 454.663 4.409 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492509099 1066336462 /nfs/dbraw/zinc/33/64/62/1066336462.db2.gz HGJRLWJDAJLEMQ-SFTDATJTSA-N 1 0 495.716 4.100 20 0 JIADRO Cc1c2c(cccc2F)sc1S(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001329441933 1066338591 /nfs/dbraw/zinc/33/85/91/1066338591.db2.gz LSWYLPVMNJRIFT-IBGZPJMESA-N 1 0 477.627 4.426 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001329441736 1066338654 /nfs/dbraw/zinc/33/86/54/1066338654.db2.gz KFYOVCHAUJJDIW-LJQANCHMSA-N 1 0 464.429 4.068 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492511326 1066344277 /nfs/dbraw/zinc/34/42/77/1066344277.db2.gz VEKUOXNTMLRIHJ-NHCUHLMSSA-N 1 0 484.689 4.320 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCOc2ncccc2Cl)n1 ZINC001492511529 1066345485 /nfs/dbraw/zinc/34/54/85/1066345485.db2.gz BBNJQYFPSXSELN-UHFFFAOYSA-N 1 0 484.048 4.333 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492514317 1066355116 /nfs/dbraw/zinc/35/51/16/1066355116.db2.gz QBUKNJWDGKEXRP-OAQYLSRUSA-N 1 0 485.677 4.120 20 0 JIADRO CSCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316463883 1066361971 /nfs/dbraw/zinc/36/19/71/1066361971.db2.gz XRVNYCRWARCSFJ-HSZRJFAPSA-N 1 0 498.741 4.129 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001316464831 1066363982 /nfs/dbraw/zinc/36/39/82/1066363982.db2.gz DWEGRYSWHZPJMD-UHFFFAOYSA-N 1 0 469.655 4.041 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492517038 1066367614 /nfs/dbraw/zinc/36/76/14/1066367614.db2.gz FOCMIWWGWCZXIC-OAQYLSRUSA-N 1 0 497.688 4.359 20 0 JIADRO CSCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(SC)CC[NH+](C)CC1 ZINC001316468119 1066372586 /nfs/dbraw/zinc/37/25/86/1066372586.db2.gz GGOZQDCDZHJXPI-UHFFFAOYSA-N 1 0 472.728 4.454 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2cc(Br)ccc2F)n1 ZINC001492517501 1066373289 /nfs/dbraw/zinc/37/32/89/1066373289.db2.gz VGDUYCCXNWNFNF-UHFFFAOYSA-N 1 0 487.421 4.323 20 0 JIADRO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316470700 1066376538 /nfs/dbraw/zinc/37/65/38/1066376538.db2.gz NJPWMZIIVFCXLK-DHIUTWEWSA-N 1 0 457.688 4.274 20 0 JIADRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001332542656 1066378179 /nfs/dbraw/zinc/37/81/79/1066378179.db2.gz AHBKMTNYPBLBIC-IERDGZPVSA-N 1 0 479.802 4.290 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccccc2OC(F)F)n1 ZINC001492518757 1066380660 /nfs/dbraw/zinc/38/06/60/1066380660.db2.gz PUWGROYSAAWDLW-UHFFFAOYSA-N 1 0 456.541 4.076 20 0 JIADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492520853 1066388149 /nfs/dbraw/zinc/38/81/49/1066388149.db2.gz WNHGYJYXHPKNTO-HFZDXXHNSA-N 1 0 454.663 4.410 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001316482136 1066398448 /nfs/dbraw/zinc/39/84/48/1066398448.db2.gz QDFQBIJTUNOZLU-FQEVSTJZSA-N 1 0 473.637 4.248 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC001492524844 1066399109 /nfs/dbraw/zinc/39/91/09/1066399109.db2.gz ZOFZUBNADQQNHR-QFIPXVFZSA-N 1 0 465.642 4.354 20 0 JIADRO COc1ccc2c(c1)c(CC(=O)N[C@@H]1C[NH+]3CCC1CC3)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001336042386 1066430397 /nfs/dbraw/zinc/43/03/97/1066430397.db2.gz XKVQQLHUZSRLLO-HSZRJFAPSA-N 1 0 465.981 4.053 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccccn2)n1CCSC(F)(F)F ZINC001316497765 1066451162 /nfs/dbraw/zinc/45/11/62/1066451162.db2.gz UQAUGIQNMZMIMF-GOSISDBHSA-N 1 0 476.572 4.228 20 0 JIADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001316498333 1066452820 /nfs/dbraw/zinc/45/28/20/1066452820.db2.gz OIEMWQGFQBZWLY-MZYLBHOOSA-N 1 0 496.700 4.348 20 0 JIADRO COc1cccc(CN2CCC([NH2+]C[C@@H](O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001336957602 1066453023 /nfs/dbraw/zinc/45/30/23/1066453023.db2.gz WGPLDSABWBXTCN-LJQANCHMSA-N 1 0 483.834 4.105 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)CC2)cc1 ZINC001337166011 1066462159 /nfs/dbraw/zinc/46/21/59/1066462159.db2.gz ZGHNWUDMBRXKAV-UHFFFAOYSA-N 1 0 454.621 4.042 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1CCCCC[NH+]1CCCC1 ZINC001316505835 1066481066 /nfs/dbraw/zinc/48/10/66/1066481066.db2.gz VYVJUNRFGGAQCE-KRWDZBQOSA-N 1 0 479.467 4.306 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316506208 1066481694 /nfs/dbraw/zinc/48/16/94/1066481694.db2.gz ICWFPVXRNQHPPH-FXAWDEMLSA-N 1 0 457.619 4.376 20 0 JIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001337535574 1066491057 /nfs/dbraw/zinc/49/10/57/1066491057.db2.gz VKBTTXVTJMXDKI-QFIPXVFZSA-N 1 0 464.953 4.260 20 0 JIADRO COc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(=S)N2CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001337562947 1066493111 /nfs/dbraw/zinc/49/31/11/1066493111.db2.gz HABOQVILBBFRIA-JJIBRWJFSA-N 1 0 494.661 4.052 20 0 JIADRO Cc1ccc(N2C(=S)N[C@H](c3ccc(OCC[NH+]4CCCC4)cc3)C(C(=O)N(C)C)=C2C)cc1 ZINC001337589421 1066496167 /nfs/dbraw/zinc/49/61/67/1066496167.db2.gz UZFZAIBVLIAMRJ-RUZDIDTESA-N 1 0 478.662 4.268 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCC(F)(F)CC2)CC1 ZINC001316513919 1066503742 /nfs/dbraw/zinc/50/37/42/1066503742.db2.gz BPCBEVQJZVAQCC-GOSISDBHSA-N 1 0 495.537 4.046 20 0 JIADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC001337859128 1066516004 /nfs/dbraw/zinc/51/60/04/1066516004.db2.gz VLDOPULJSQMBIP-QGZVFWFLSA-N 1 0 463.422 4.085 20 0 JIADRO FC(F)Oc1cccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCOC(F)(F)F)c1 ZINC001316521478 1066528196 /nfs/dbraw/zinc/52/81/96/1066528196.db2.gz SLXVOUGDFUTBOX-UHFFFAOYSA-N 1 0 475.462 4.005 20 0 JIADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2)CC1 ZINC001338213462 1066538914 /nfs/dbraw/zinc/53/89/14/1066538914.db2.gz ZMMOADWNEIPRDW-UHFFFAOYSA-N 1 0 458.562 4.211 20 0 JIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001338276632 1066543081 /nfs/dbraw/zinc/54/30/81/1066543081.db2.gz MARVLOHNIAZPTK-QFIPXVFZSA-N 1 0 476.543 4.083 20 0 JIADRO CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(=O)N1CCc2sccc2C1 ZINC001338377554 1066550756 /nfs/dbraw/zinc/55/07/56/1066550756.db2.gz FEOJCEXIBXSECK-HSZRJFAPSA-N 1 0 468.667 4.027 20 0 JIADRO Cc1cccc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001492532638 1066556683 /nfs/dbraw/zinc/55/66/83/1066556683.db2.gz ZEJHNPXIJQJKOP-PSWAGMNNSA-N 1 0 496.700 4.378 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001338478417 1066557994 /nfs/dbraw/zinc/55/79/94/1066557994.db2.gz UDYYIKMRBKXBAK-UHFFFAOYSA-N 1 0 471.605 4.316 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)CC1 ZINC001338479197 1066558856 /nfs/dbraw/zinc/55/88/56/1066558856.db2.gz ZTHRFTLQTXJWSD-UHFFFAOYSA-N 1 0 463.651 4.133 20 0 JIADRO NC(=O)C[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C1 ZINC001316545712 1066563887 /nfs/dbraw/zinc/56/38/87/1066563887.db2.gz KDKALNOMCVCMFF-QGZVFWFLSA-N 1 0 479.456 4.220 20 0 JIADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001316547472 1066565199 /nfs/dbraw/zinc/56/51/99/1066565199.db2.gz WPTQQUUIAMKEQC-UHFFFAOYSA-N 1 0 473.065 4.347 20 0 JIADRO COc1cc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)ccc1OCc1ccc(Br)cc1 ZINC001338751778 1066570707 /nfs/dbraw/zinc/57/07/07/1066570707.db2.gz RAFMLACKBRZTFC-CYBMUJFWSA-N 1 0 475.305 4.193 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(Cc4ccncc4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C ZINC001492536340 1066587586 /nfs/dbraw/zinc/58/75/86/1066587586.db2.gz UTYJQYXIEMXAEO-UHFFFAOYSA-N 1 0 475.685 4.326 20 0 JIADRO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)c1 ZINC001492536417 1066588130 /nfs/dbraw/zinc/58/81/30/1066588130.db2.gz XMLSOVHGPSPQIJ-VWLOTQADSA-N 1 0 495.716 4.316 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492537606 1066594342 /nfs/dbraw/zinc/59/43/42/1066594342.db2.gz CSPDYWBGDRRFFC-YADARESESA-N 1 0 486.711 4.299 20 0 JIADRO Cc1ncsc1CN(C)c1nnc(COc2cccc(C)c2)n1CC[N@H+](C)C1CCCC1 ZINC001492537724 1066595025 /nfs/dbraw/zinc/59/50/25/1066595025.db2.gz HVCRKJUZDQIPHJ-UHFFFAOYSA-N 1 0 454.644 4.441 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492538086 1066601531 /nfs/dbraw/zinc/60/15/31/1066601531.db2.gz SFUKKBLKBWWFII-DEOSSOPVSA-N 1 0 479.673 4.273 20 0 JIADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2CC[N@H+](C)C2CCCCC2)cnn1C ZINC001492538125 1066603128 /nfs/dbraw/zinc/60/31/28/1066603128.db2.gz UHKCOYDGAMVSST-UHFFFAOYSA-N 1 0 465.646 4.108 20 0 JIADRO OCCCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001316587719 1066613787 /nfs/dbraw/zinc/61/37/87/1066613787.db2.gz LTKNBCWDCZBJPG-IBGZPJMESA-N 1 0 496.483 4.353 20 0 JIADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316587982 1066614558 /nfs/dbraw/zinc/61/45/58/1066614558.db2.gz FMTIHYUZWKZMFO-OAHLLOKOSA-N 1 0 488.822 4.484 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492538932 1066621484 /nfs/dbraw/zinc/62/14/84/1066621484.db2.gz WYIJDLUREDPDPS-AREMUKBSSA-N 1 0 495.697 4.153 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CCOC(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)c1 ZINC001492539888 1066627297 /nfs/dbraw/zinc/62/72/97/1066627297.db2.gz KNHKJOZXNYGPKO-UHFFFAOYSA-N 1 0 499.700 4.452 20 0 JIADRO Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001317696779 1066633860 /nfs/dbraw/zinc/63/38/60/1066633860.db2.gz MTFYTXLIMGOVRT-UHFFFAOYSA-N 1 0 496.608 4.247 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492540551 1066636373 /nfs/dbraw/zinc/63/63/73/1066636373.db2.gz YIZIINSFSRVSOC-GOTSBHOMSA-N 1 0 455.647 4.149 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN([C@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC001345036351 1066638041 /nfs/dbraw/zinc/63/80/41/1066638041.db2.gz HCSLIZNROCEDET-JOCHJYFZSA-N 1 0 474.605 4.053 20 0 JIADRO Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)c2c1C ZINC001317716490 1066644163 /nfs/dbraw/zinc/64/41/63/1066644163.db2.gz VRHMOOIHKLLAJC-UHFFFAOYSA-N 1 0 455.653 4.408 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)ccc1N1CC[NH+](C)CC1 ZINC001317716495 1066644334 /nfs/dbraw/zinc/64/43/34/1066644334.db2.gz VUBRUTHPBVYHNH-HSZRJFAPSA-N 1 0 470.617 4.391 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542054 1066652507 /nfs/dbraw/zinc/65/25/07/1066652507.db2.gz KSEMWCOBOGJMDA-VXKWHMMOSA-N 1 0 498.672 4.095 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@](C)(O)CCC(C)C)c1 ZINC001492542380 1066656317 /nfs/dbraw/zinc/65/63/17/1066656317.db2.gz NAHBHMZWEQYWDY-TVZXLZGTSA-N 1 0 455.647 4.026 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001492543307 1066664765 /nfs/dbraw/zinc/66/47/65/1066664765.db2.gz HOWMORRUBHXMLG-DNQXCXABSA-N 1 0 469.674 4.273 20 0 JIADRO Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1N1CC[NH+](C)CC1 ZINC001317768594 1066678471 /nfs/dbraw/zinc/67/84/71/1066678471.db2.gz FPLNCYFWCSKTNP-UHFFFAOYSA-N 1 0 499.036 4.453 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001492544450 1066681606 /nfs/dbraw/zinc/68/16/06/1066681606.db2.gz PDUVFXUPDPPADL-LJQANCHMSA-N 1 0 474.447 4.386 20 0 JIADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001347985978 1066712098 /nfs/dbraw/zinc/71/20/98/1066712098.db2.gz PHLYHGHKZXIYGC-QFIPXVFZSA-N 1 0 455.624 4.020 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001348174477 1066725820 /nfs/dbraw/zinc/72/58/20/1066725820.db2.gz OJJGLIJSNBZMMJ-DEOSSOPVSA-N 1 0 450.583 4.254 20 0 JIADRO CCc1ccc([C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(F)c2)cc1 ZINC001317854251 1066734821 /nfs/dbraw/zinc/73/48/21/1066734821.db2.gz XJICYNLHCKEXQS-AREMUKBSSA-N 1 0 461.585 4.124 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)CC2)cc1 ZINC001317858976 1066738037 /nfs/dbraw/zinc/73/80/37/1066738037.db2.gz OIKPVGBRNWYBTO-UHFFFAOYSA-N 1 0 455.624 4.451 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001348430710 1066743879 /nfs/dbraw/zinc/74/38/79/1066743879.db2.gz QVXBHWBGXYGMSH-UHFFFAOYSA-N 1 0 451.011 4.210 20 0 JIADRO O=C(CC[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC001348435967 1066744675 /nfs/dbraw/zinc/74/46/75/1066744675.db2.gz PYEIOVZCCNDRGG-AREMUKBSSA-N 1 0 487.625 4.352 20 0 JIADRO CN1c2ccccc2[C@@H](C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC001317882827 1066752321 /nfs/dbraw/zinc/75/23/21/1066752321.db2.gz QIYCFXSHRRUVHL-SANMLTNESA-N 1 0 468.601 4.093 20 0 JIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001317893450 1066763212 /nfs/dbraw/zinc/76/32/12/1066763212.db2.gz LVGIGUOGIPIUPP-QGZVFWFLSA-N 1 0 463.376 4.402 20 0 JIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001317894129 1066764457 /nfs/dbraw/zinc/76/44/57/1066764457.db2.gz XOFXHCXVAPPMQJ-UHFFFAOYSA-N 1 0 457.347 4.300 20 0 JIADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001348641676 1066765981 /nfs/dbraw/zinc/76/59/81/1066765981.db2.gz GNQDHQLPTLMQKE-UHFFFAOYSA-N 1 0 453.564 4.488 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2)C1 ZINC001317914636 1066783733 /nfs/dbraw/zinc/78/37/33/1066783733.db2.gz KGFCIKKJTMGKJB-OAQYLSRUSA-N 1 0 488.632 4.136 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001317932161 1066793633 /nfs/dbraw/zinc/79/36/33/1066793633.db2.gz IHUVSSOSYQMJIY-UHFFFAOYSA-N 1 0 469.529 4.063 20 0 JIADRO COc1ccc2c(c1)c(C(=O)Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)c(C)n2C1CC1 ZINC001317941727 1066800705 /nfs/dbraw/zinc/80/07/05/1066800705.db2.gz FDBKPZSFTLJPRJ-UHFFFAOYSA-N 1 0 460.578 4.243 20 0 JIADRO Cc1cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)ccc1N1CC[NH+](C)CC1 ZINC001317961721 1066814414 /nfs/dbraw/zinc/81/44/14/1066814414.db2.gz YRGQKRSMPZHJSE-VWLOTQADSA-N 1 0 487.604 4.277 20 0 JIADRO COc1ccc(Br)cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001317976016 1066827144 /nfs/dbraw/zinc/82/71/44/1066827144.db2.gz ZNFVBUPAPTYRFL-HOTGVXAUSA-N 1 0 462.388 4.389 20 0 JIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC001317982267 1066830415 /nfs/dbraw/zinc/83/04/15/1066830415.db2.gz RQMLBLMXTKRLHD-ICFXLVBESA-N 1 0 476.631 4.415 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001318032460 1066861196 /nfs/dbraw/zinc/86/11/96/1066861196.db2.gz HOMAHAGNCZPMIV-UHFFFAOYSA-N 1 0 497.393 4.006 20 0 JIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC001318036964 1066864631 /nfs/dbraw/zinc/86/46/31/1066864631.db2.gz IZAJKLWEZLWPHP-QFIPXVFZSA-N 1 0 461.610 4.373 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001318049277 1066871752 /nfs/dbraw/zinc/87/17/52/1066871752.db2.gz PRUBDEPQWPIWEX-UHFFFAOYSA-N 1 0 473.415 4.071 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001349875625 1066890732 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CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318434450 1067042107 /nfs/dbraw/zinc/04/21/07/1067042107.db2.gz NWKXSELWTFKJCT-UHFFFAOYSA-N 1 0 479.600 4.002 20 0 JIADRO COc1ccncc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300693993 1067047156 /nfs/dbraw/zinc/04/71/56/1067047156.db2.gz MJTIEKGJIFQDRC-UHFFFAOYSA-N 1 0 499.457 4.435 20 0 JIADRO COc1ccc(Cn2ncc3cc(C(=O)Nc4cccc(C[NH+]5CCCC5)c4)cnc32)c(OC)c1 ZINC001318479336 1067047859 /nfs/dbraw/zinc/04/78/59/1067047859.db2.gz TWQUKVRNLDCXMD-UHFFFAOYSA-N 1 0 471.561 4.345 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)C2)ccn1 ZINC001351119099 1067048558 /nfs/dbraw/zinc/04/85/58/1067048558.db2.gz ZXUXKHZGCCRFNB-FQEVSTJZSA-N 1 0 490.633 4.230 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2oc3ccccc3c2CSc2ncccn2)CC1 ZINC001318504552 1067049762 /nfs/dbraw/zinc/04/97/62/1067049762.db2.gz YVBUDWSHUQPSSL-UHFFFAOYSA-N 1 0 473.602 4.197 20 0 JIADRO CC[C@@H]([NH2+]Cc1cc(C)c(I)cc1C)c1ccccc1OCC(=O)NC 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/nfs/dbraw/zinc/06/60/10/1067066010.db2.gz YWOVYLUYAFKOTB-UHFFFAOYSA-N 1 0 455.441 4.117 20 0 JIADRO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001300705213 1067071652 /nfs/dbraw/zinc/07/16/52/1067071652.db2.gz FMIBVLWDTVFVGW-OAQYLSRUSA-N 1 0 462.642 4.419 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC001319301835 1067071671 /nfs/dbraw/zinc/07/16/71/1067071671.db2.gz OPXVVWCMCDOVBT-UHFFFAOYSA-N 1 0 456.581 4.155 20 0 JIADRO CC[NH+](CC)CCN(C(=O)c1cccc(Cn2cncn2)c1)c1cccc(Br)c1 ZINC001351315537 1067075635 /nfs/dbraw/zinc/07/56/35/1067075635.db2.gz ZOPUEVLXFXFMEE-UHFFFAOYSA-N 1 0 456.388 4.078 20 0 JIADRO Cc1cccc(C)c1CCn1c(C2CC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001492486020 1067076008 /nfs/dbraw/zinc/07/60/08/1067076008.db2.gz GSVKNVRXDOKPIW-UHFFFAOYSA-N 1 0 465.564 4.106 20 0 JIADRO CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001354752611 1067076514 /nfs/dbraw/zinc/07/65/14/1067076514.db2.gz WIUCZKYDQFVURA-ZEQKJWHPSA-N 1 0 451.567 4.037 20 0 JIADRO Cc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1N1CC[NH+](C)CC1 ZINC001319706539 1067077279 /nfs/dbraw/zinc/07/72/79/1067077279.db2.gz QAUOGKMFAKBOJX-IBGZPJMESA-N 1 0 486.458 4.157 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CC4(CCC4)C3)c(C)c2)CC1 ZINC001351389566 1067087789 /nfs/dbraw/zinc/08/77/89/1067087789.db2.gz AOBYVGWKTKSKAL-UHFFFAOYSA-N 1 0 456.631 4.303 20 0 JIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3nn(-c4ccccc4F)cc3Br)C2)CC1 ZINC001320931225 1067096084 /nfs/dbraw/zinc/09/60/84/1067096084.db2.gz UPIJRJXVYWHAII-QGZVFWFLSA-N 1 0 463.395 4.358 20 0 JIADRO CCCc1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)nn1-c1ccccc1F ZINC001351593504 1067138214 /nfs/dbraw/zinc/13/82/14/1067138214.db2.gz DMIITRSYAPGJQE-UHFFFAOYSA-N 1 0 456.953 4.016 20 0 JIADRO COc1cccc(Br)c1[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=S)NC(C)C ZINC001200795913 1067150410 /nfs/dbraw/zinc/15/04/10/1067150410.db2.gz XJCGHDVDVJJVJH-IEBWSBKVSA-N 1 0 462.457 4.298 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001321520451 1067155750 /nfs/dbraw/zinc/15/57/50/1067155750.db2.gz WUGSVMDNKHHIFL-XMMPIXPASA-N 1 0 451.611 4.165 20 0 JIADRO CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)c2)cc1 ZINC001321550301 1067163434 /nfs/dbraw/zinc/16/34/34/1067163434.db2.gz NWOQRTVVQGAIHP-UHFFFAOYSA-N 1 0 485.628 4.469 20 0 JIADRO Fc1cc(Br)cc(Br)c1NC(=S)Nc1c[nH+]ccc1N1CCOCC1 ZINC001200797350 1067165061 /nfs/dbraw/zinc/16/50/61/1067165061.db2.gz JJYRRYKYNVKZBU-UHFFFAOYSA-N 1 0 490.196 4.391 20 0 JIADRO C[N@@H+]1C[C@H]2CCCN(C(=S)Nc3c(F)cc(Br)cc3Br)[C@H]2C1 ZINC001200798435 1067173768 /nfs/dbraw/zinc/17/37/68/1067173768.db2.gz BFXZLGSMOKLHSU-RNCFNFMXSA-N 1 0 451.203 4.074 20 0 JIADRO COC1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300733129 1067175950 /nfs/dbraw/zinc/17/59/50/1067175950.db2.gz XKRPVNSKTQSBDK-UHFFFAOYSA-N 1 0 455.647 4.210 20 0 JIADRO CC(C)[N@H+](C)[C@@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200800996 1067198540 /nfs/dbraw/zinc/19/85/40/1067198540.db2.gz CNBKOFOXTQSGPE-LLVKDONJSA-N 1 0 453.219 4.462 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001492577987 1067199524 /nfs/dbraw/zinc/19/95/24/1067199524.db2.gz SSYMLIUNSVJRNN-NRFANRHFSA-N 1 0 461.658 4.459 20 0 JIADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@@H]21 ZINC001200802696 1067210634 /nfs/dbraw/zinc/21/06/34/1067210634.db2.gz ZRWXMRBOHZGBMW-RNCFNFMXSA-N 1 0 451.203 4.074 20 0 JIADRO CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300744476 1067244857 /nfs/dbraw/zinc/24/48/57/1067244857.db2.gz IISSKIDLXSHCNT-ISKFKSNPSA-N 1 0 455.647 4.210 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492549902 1067249821 /nfs/dbraw/zinc/24/98/21/1067249821.db2.gz RUQIJVSIMGRNFA-BAGYTPMASA-N 1 0 495.590 4.157 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001492549946 1067250785 /nfs/dbraw/zinc/25/07/85/1067250785.db2.gz SXJGOCJOSHFHMS-ZRZAMGCNSA-N 1 0 455.647 4.291 20 0 JIADRO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)c2)c1 ZINC001322159855 1067258728 /nfs/dbraw/zinc/25/87/28/1067258728.db2.gz UQNVJWDYMAQOBY-UHFFFAOYSA-N 1 0 492.645 4.417 20 0 JIADRO CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1)c1ccccc1 ZINC001322223076 1067264323 /nfs/dbraw/zinc/26/43/23/1067264323.db2.gz RREVWNPDTHUOQQ-RUZDIDTESA-N 1 0 477.653 4.053 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001200814803 1067272135 /nfs/dbraw/zinc/27/21/35/1067272135.db2.gz SDYQGMFXMTXLEC-UHFFFAOYSA-N 1 0 499.508 4.034 20 0 JIADRO C[C@]12CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]1C2(Br)Br ZINC001300753204 1067278028 /nfs/dbraw/zinc/27/80/28/1067278028.db2.gz VMEGPWIEWZFUKL-SCTDSRPQSA-N 1 0 470.249 4.253 20 0 JIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1noc2ccc(Br)cc21 ZINC001354932914 1067288631 /nfs/dbraw/zinc/28/86/31/1067288631.db2.gz SJPFPDATUDWLFJ-UHFFFAOYSA-N 1 0 450.299 4.256 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC001322481416 1067298803 /nfs/dbraw/zinc/29/88/03/1067298803.db2.gz RQFFLPBNBAWEGM-UHFFFAOYSA-N 1 0 458.606 4.155 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC001322479504 1067298917 /nfs/dbraw/zinc/29/89/17/1067298917.db2.gz AXNHSCWAFWMJIF-QFIPXVFZSA-N 1 0 457.416 4.248 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1 ZINC001322590533 1067304730 /nfs/dbraw/zinc/30/47/30/1067304730.db2.gz SMRNSZYGSSKRMX-UHFFFAOYSA-N 1 0 494.455 4.196 20 0 JIADRO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)no1 ZINC000500697072 1067307428 /nfs/dbraw/zinc/30/74/28/1067307428.db2.gz HUMGDEOGWWWCTG-KDURUIRLSA-N 1 0 467.614 4.021 20 0 JIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C1 ZINC001352237332 1067314666 /nfs/dbraw/zinc/31/46/66/1067314666.db2.gz KSEBUBCZPBJUAL-SFHVURJKSA-N 1 0 458.484 4.153 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)C[C@@H](C)O1 ZINC001323180144 1067315924 /nfs/dbraw/zinc/31/59/24/1067315924.db2.gz UJVSCHCZMWSOQT-VIZSFHNOSA-N 1 0 461.610 4.261 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492552751 1067319445 /nfs/dbraw/zinc/31/94/45/1067319445.db2.gz DMYOQZRVSIUIGD-IBGGVINMSA-N 1 0 499.700 4.325 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300771762 1067320502 /nfs/dbraw/zinc/32/05/02/1067320502.db2.gz FBLNOLSHCLOBCD-LADGPHEKSA-N 1 0 455.647 4.354 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300772752 1067323407 /nfs/dbraw/zinc/32/34/07/1067323407.db2.gz MEBGUCMIRUHQLZ-NZQKXSOJSA-N 1 0 476.065 4.494 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001300773131 1067324863 /nfs/dbraw/zinc/32/48/63/1067324863.db2.gz PJEKKOLIIBDVNM-DHIUTWEWSA-N 1 0 455.647 4.211 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300773970 1067326593 /nfs/dbraw/zinc/32/65/93/1067326593.db2.gz VJYHCFZHARVAGE-LADGPHEKSA-N 1 0 455.647 4.149 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)[NH+]2CCCCC2)cc1 ZINC001352317195 1067330691 /nfs/dbraw/zinc/33/06/91/1067330691.db2.gz KSLRPYWEPNXJGK-QFIPXVFZSA-N 1 0 454.571 4.394 20 0 JIADRO CO[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001300777652 1067331788 /nfs/dbraw/zinc/33/17/88/1067331788.db2.gz ZGZAJZJVYIYVCZ-GCJKJVERSA-N 1 0 468.671 4.378 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001300782077 1067338002 /nfs/dbraw/zinc/33/80/02/1067338002.db2.gz HOABQNRFBJRCQX-UHFFFAOYSA-N 1 0 480.579 4.398 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300001165 1067338539 /nfs/dbraw/zinc/33/85/39/1067338539.db2.gz RRFQZAZRVOMKPD-HXOBKFHXSA-N 1 0 472.684 4.087 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300001415 1067339470 /nfs/dbraw/zinc/33/94/70/1067339470.db2.gz CUASFBJMQCTXBK-FQEVSTJZSA-N 1 0 480.569 4.099 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CC2(CC(C)C)CC2)n1 ZINC001492497903 1067339947 /nfs/dbraw/zinc/33/99/47/1067339947.db2.gz LZGYHSKAFIDCBF-UHFFFAOYSA-N 1 0 454.663 4.269 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001300783087 1067340439 /nfs/dbraw/zinc/34/04/39/1067340439.db2.gz TWYDRMXZLUUFSN-NRFANRHFSA-N 1 0 455.647 4.006 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300001990 1067341888 /nfs/dbraw/zinc/34/18/88/1067341888.db2.gz IIRXBIVVJOGQJZ-HXUWFJFHSA-N 1 0 464.614 4.258 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001300784347 1067343727 /nfs/dbraw/zinc/34/37/27/1067343727.db2.gz JJAHHPCAZSBTAE-DUTUXMCTSA-N 1 0 475.703 4.226 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2C)CC1 ZINC001300784432 1067344056 /nfs/dbraw/zinc/34/40/56/1067344056.db2.gz BUPZBVSCINADBF-UHFFFAOYSA-N 1 0 462.642 4.098 20 0 JIADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1C ZINC001200004331 1067344382 /nfs/dbraw/zinc/34/43/82/1067344382.db2.gz VAGYYICJWSBNLG-IBGZPJMESA-N 1 0 450.649 4.265 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001300785299 1067346565 /nfs/dbraw/zinc/34/65/65/1067346565.db2.gz PIZYQHDMSSBMLW-QUCCMNQESA-N 1 0 492.064 4.186 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N(C)C[C@@H]3CCCOC3)CCCC2)CC1 ZINC001300785513 1067346980 /nfs/dbraw/zinc/34/69/80/1067346980.db2.gz DLMGMFANXWHBNB-NRFANRHFSA-N 1 0 461.695 4.153 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(F)cc3C2)CC1 ZINC001300785693 1067347315 /nfs/dbraw/zinc/34/73/15/1067347315.db2.gz MUZBTIDEVWYHGA-UHFFFAOYSA-N 1 0 457.638 4.458 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300003710 1067348312 /nfs/dbraw/zinc/34/83/12/1067348312.db2.gz RCWDTNQJTYVWHD-ROUUACIJSA-N 1 0 484.670 4.243 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC001300786390 1067348838 /nfs/dbraw/zinc/34/88/38/1067348838.db2.gz QASKWVRXJKREKM-OAQYLSRUSA-N 1 0 471.694 4.103 20 0 JIADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)Cc3ccc(Br)cc3)CCCC2)CC1 ZINC001300787907 1067352489 /nfs/dbraw/zinc/35/24/89/1067352489.db2.gz WJCFJBUXVIKSDR-UHFFFAOYSA-N 1 0 476.463 4.409 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300005875 1067353556 /nfs/dbraw/zinc/35/35/56/1067353556.db2.gz KPRLPBCUHUZHMP-SFHVURJKSA-N 1 0 472.037 4.097 20 0 JIADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001492554290 1067354568 /nfs/dbraw/zinc/35/45/68/1067354568.db2.gz UMBNUSHDDLDOIE-HSZRJFAPSA-N 1 0 478.641 4.080 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300008141 1067358241 /nfs/dbraw/zinc/35/82/41/1067358241.db2.gz CQKDCMINGKZWGL-IFMALSPDSA-N 1 0 471.646 4.232 20 0 JIADRO CN(C)[C@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC001200853514 1067361207 /nfs/dbraw/zinc/36/12/07/1067361207.db2.gz HGAHRSKRYVKQOX-NHCUHLMSSA-N 1 0 452.039 4.481 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300009956 1067361419 /nfs/dbraw/zinc/36/14/19/1067361419.db2.gz YKOZQCXXVNRYRY-IRLDBZIGSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300009955 1067361457 /nfs/dbraw/zinc/36/14/57/1067361457.db2.gz YKOZQCXXVNRYRY-IFMALSPDSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001300009958 1067361471 /nfs/dbraw/zinc/36/14/71/1067361471.db2.gz YKOZQCXXVNRYRY-UNMCSNQZSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300010746 1067363581 /nfs/dbraw/zinc/36/35/81/1067363581.db2.gz OLAYBKCRLVQEGF-UYAOXDASSA-N 1 0 485.654 4.190 20 0 JIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(F)c1I ZINC001352381337 1067365575 /nfs/dbraw/zinc/36/55/75/1067365575.db2.gz LTWIZLXIBONYEW-UHFFFAOYSA-N 1 0 456.299 4.403 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001300012186 1067366234 /nfs/dbraw/zinc/36/62/34/1067366234.db2.gz UCYBLIKIAIDCED-UHFFFAOYSA-N 1 0 469.552 4.232 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)F)n2CC2([NH+]3CCSCC3)CCCC2)cc1OC ZINC001300012301 1067366515 /nfs/dbraw/zinc/36/65/15/1067366515.db2.gz VXQQKRVNJLIWQS-UHFFFAOYSA-N 1 0 495.640 4.415 20 0 JIADRO COc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001300016788 1067376479 /nfs/dbraw/zinc/37/64/79/1067376479.db2.gz FXOKMLZNXKZMSO-NRFANRHFSA-N 1 0 455.647 4.327 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492581404 1067383923 /nfs/dbraw/zinc/38/39/23/1067383923.db2.gz GCMYCYNIEKLWFA-VWLOTQADSA-N 1 0 494.728 4.240 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300021730 1067386169 /nfs/dbraw/zinc/38/61/69/1067386169.db2.gz JFRYPWIZYWKFPF-HRCADAONSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001300021732 1067386191 /nfs/dbraw/zinc/38/61/91/1067386191.db2.gz JFRYPWIZYWKFPF-OWCLPIDISA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300022057 1067387442 /nfs/dbraw/zinc/38/74/42/1067387442.db2.gz POTLKSFQICURSZ-IBGZPJMESA-N 1 0 459.635 4.085 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1Br ZINC001300022251 1067388097 /nfs/dbraw/zinc/38/80/97/1067388097.db2.gz UEVXGMUGKXGMGI-DMPWYTOCSA-N 1 0 494.503 4.246 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492582029 1067389093 /nfs/dbraw/zinc/38/90/93/1067389093.db2.gz VWYUEERDKPYGMA-HSZRJFAPSA-N 1 0 480.701 4.137 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027365 1067401661 /nfs/dbraw/zinc/40/16/61/1067401661.db2.gz MPNLIBBSRAXDCQ-MOPGFXCFSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300029901 1067416718 /nfs/dbraw/zinc/41/67/18/1067416718.db2.gz XZPBROJXDYCLLP-QFIPXVFZSA-N 1 0 496.700 4.159 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300033232 1067431225 /nfs/dbraw/zinc/43/12/25/1067431225.db2.gz IWSJIWBRRKKLMY-OALUTQOASA-N 1 0 486.661 4.033 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300038027 1067450210 /nfs/dbraw/zinc/45/02/10/1067450210.db2.gz JOOZNGUUZFHVQA-DHIUTWEWSA-N 1 0 455.647 4.183 20 0 JIADRO CN(c1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1)C1CC[NH+](C)CC1 ZINC001355426451 1067460909 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/nfs/dbraw/zinc/50/02/56/1067500256.db2.gz DSBHRVZATXPHTO-RPWUZVMVSA-N 1 0 451.611 4.418 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300047783 1067501757 /nfs/dbraw/zinc/50/17/57/1067501757.db2.gz KFFRJOKSVRMRJH-NHCUHLMSSA-N 1 0 453.631 4.487 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300048549 1067503473 /nfs/dbraw/zinc/50/34/73/1067503473.db2.gz BJZGBGSLDIGZEN-FYYLOGMGSA-N 1 0 485.673 4.336 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCCC2)cc1OC ZINC001300048977 1067504242 /nfs/dbraw/zinc/50/42/42/1067504242.db2.gz GIUQVPHLFQUTIW-GOSISDBHSA-N 1 0 467.536 4.227 20 0 JIADRO CCCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001300050096 1067507574 /nfs/dbraw/zinc/50/75/74/1067507574.db2.gz POYFWMOJOLKYLH-UHFFFAOYSA-N 1 0 454.636 4.389 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001300051056 1067512543 /nfs/dbraw/zinc/51/25/43/1067512543.db2.gz WYVJNBAEIKRTIJ-AEFFLSMTSA-N 1 0 467.536 4.225 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300051224 1067513702 /nfs/dbraw/zinc/51/37/02/1067513702.db2.gz DSSNTBZLMCUHEU-RXFWQSSRSA-N 1 0 471.646 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[NH+]2CCC(C)CC2)cc1OC ZINC001300051315 1067514640 /nfs/dbraw/zinc/51/46/40/1067514640.db2.gz YFZGNKRODKHWOR-IBGZPJMESA-N 1 0 481.563 4.473 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001300052118 1067521054 /nfs/dbraw/zinc/52/10/54/1067521054.db2.gz VNGWDTJENOQAFV-RXFWQSSRSA-N 1 0 471.646 4.232 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492582170 1067521960 /nfs/dbraw/zinc/52/19/60/1067521960.db2.gz YXLUYTXHJHKSRS-RPBOFIJWSA-N 1 0 453.675 4.407 20 0 JIADRO COc1ccc(CCNC(=S)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cc1OC ZINC001200072412 1067526152 /nfs/dbraw/zinc/52/61/52/1067526152.db2.gz KEPOARUDGRONGU-UHFFFAOYSA-N 1 0 474.696 4.016 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492582667 1067530335 /nfs/dbraw/zinc/53/03/35/1067530335.db2.gz OTFKGFLMMOLHNZ-RUZDIDTESA-N 1 0 480.701 4.039 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001492582934 1067536028 /nfs/dbraw/zinc/53/60/28/1067536028.db2.gz YIAIMKPVESQBPP-QHCPKHFHSA-N 1 0 482.673 4.109 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001300055889 1067537970 /nfs/dbraw/zinc/53/79/70/1067537970.db2.gz CXTFHNQQFTXPAG-WOJBJXKFSA-N 1 0 493.530 4.397 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1Br ZINC001300056261 1067539696 /nfs/dbraw/zinc/53/96/96/1067539696.db2.gz JBIGSPQFFDHETB-KRWDZBQOSA-N 1 0 460.376 4.212 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](OC)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001300056929 1067542962 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/nfs/dbraw/zinc/58/01/07/1067580107.db2.gz BCUOMFXUUZERKQ-OFNKIYASSA-N 1 0 485.673 4.478 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001352616702 1067581913 /nfs/dbraw/zinc/58/19/13/1067581913.db2.gz LAADIXBPCTWMKK-UHFFFAOYSA-N 1 0 453.027 4.314 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001352617549 1067582472 /nfs/dbraw/zinc/58/24/72/1067582472.db2.gz SEBGIUPKENBTEW-UHFFFAOYSA-N 1 0 451.901 4.375 20 0 JIADRO COc1cccc([C@H](OC)C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001355800445 1067583196 /nfs/dbraw/zinc/58/31/96/1067583196.db2.gz NCQSPEBJNRZZRI-MHZLTWQESA-N 1 0 459.590 4.339 20 0 JIADRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001355801075 1067583234 /nfs/dbraw/zinc/58/32/34/1067583234.db2.gz RVASAIBWNZACHU-LOSJGSFVSA-N 1 0 463.622 4.311 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](SC)C(C)(C)C)c(OC)c1 ZINC001300067883 1067584712 /nfs/dbraw/zinc/58/47/12/1067584712.db2.gz BCSQJMWZKBXALP-OAQYLSRUSA-N 1 0 461.676 4.270 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1Br ZINC001300067995 1067585205 /nfs/dbraw/zinc/58/52/05/1067585205.db2.gz WUFHBRLDSSWOIQ-OXQOHEQNSA-N 1 0 492.462 4.062 20 0 JIADRO O=S(=O)(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCC1CCC1 ZINC001200096409 1067601670 /nfs/dbraw/zinc/60/16/70/1067601670.db2.gz SBQMAOLBOGMQQL-UHFFFAOYSA-N 1 0 459.015 4.002 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[NH+]2CCCC2)cc1Br ZINC001300076286 1067603554 /nfs/dbraw/zinc/60/35/54/1067603554.db2.gz DXAXZPXWESWMAR-HXUWFJFHSA-N 1 0 492.462 4.063 20 0 JIADRO C[N@H+](CCCNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)Cc1ccccc1 ZINC001355905601 1067604777 /nfs/dbraw/zinc/60/47/77/1067604777.db2.gz CVIMYZUUJCMXHD-UHFFFAOYSA-N 1 0 451.880 4.191 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CC(C)(C)SC)cc1 ZINC001300077199 1067606643 /nfs/dbraw/zinc/60/66/43/1067606643.db2.gz YGMLBUIICIILJH-NHCUHLMSSA-N 1 0 486.730 4.090 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300085216 1067626712 /nfs/dbraw/zinc/62/67/12/1067626712.db2.gz OVHFBUMFRHMMCC-OALUTQOASA-N 1 0 459.660 4.026 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300085406 1067627926 /nfs/dbraw/zinc/62/79/26/1067627926.db2.gz UOSHDGSMYYHMLB-NRFANRHFSA-N 1 0 475.728 4.359 20 0 JIADRO COc1ccc(-c2nnc(N3CCSCC3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001300087642 1067633673 /nfs/dbraw/zinc/63/36/73/1067633673.db2.gz IRCZHTPYLNTDMZ-UHFFFAOYSA-N 1 0 482.492 4.388 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001300094163 1067655385 /nfs/dbraw/zinc/65/53/85/1067655385.db2.gz GLQIMEBTZMYIPY-IRLDBZIGSA-N 1 0 498.672 4.040 20 0 JIADRO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)ccc21 ZINC001200114282 1067658082 /nfs/dbraw/zinc/65/80/82/1067658082.db2.gz VQJHDWRIHLBKLF-QHCPKHFHSA-N 1 0 453.631 4.428 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001300096514 1067660884 /nfs/dbraw/zinc/66/08/84/1067660884.db2.gz KFAZISXHWLCRLS-RZUBCFFCSA-N 1 0 469.674 4.466 20 0 JIADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)cc2)c1C(F)(F)F ZINC001352798175 1067728436 /nfs/dbraw/zinc/72/84/36/1067728436.db2.gz LURCPVZOKIAQMV-UHFFFAOYSA-N 1 0 452.477 4.127 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001300119120 1067732640 /nfs/dbraw/zinc/73/26/40/1067732640.db2.gz NKZXOOZIJRKVJZ-UHFFFAOYSA-N 1 0 497.631 4.290 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001300119908 1067735098 /nfs/dbraw/zinc/73/50/98/1067735098.db2.gz ZWOBDPGDPVRMMW-RUZDIDTESA-N 1 0 483.701 4.444 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC[C@H](OC)C(F)(F)F)cc1 ZINC001300120219 1067736806 /nfs/dbraw/zinc/73/68/06/1067736806.db2.gz PJIRYUAGCHWPLH-UNMCSNQZSA-N 1 0 495.590 4.104 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@H](C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001300120256 1067736818 /nfs/dbraw/zinc/73/68/18/1067736818.db2.gz GMKXUMFECUIULP-CPJSRVTESA-N 1 0 457.688 4.136 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001356377854 1067739118 /nfs/dbraw/zinc/73/91/18/1067739118.db2.gz JIQHECJAQXNRRK-QHCPKHFHSA-N 1 0 453.608 4.365 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1ccc(C)cc1Br)C2 ZINC001200144022 1067748222 /nfs/dbraw/zinc/74/82/22/1067748222.db2.gz IMNKJNGIQRFAJB-LAUBAEHRSA-N 1 0 452.462 4.135 20 0 JIADRO Cc1ccc(NC(=S)N2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(Br)c1 ZINC001200144293 1067748656 /nfs/dbraw/zinc/74/86/56/1067748656.db2.gz KAUUWICRNVQXNR-STZQEDGTSA-N 1 0 496.515 4.435 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300125017 1067749214 /nfs/dbraw/zinc/74/92/14/1067749214.db2.gz BTOJOHDGJDJSIW-DHLKQENFSA-N 1 0 483.701 4.445 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300125021 1067749360 /nfs/dbraw/zinc/74/93/60/1067749360.db2.gz BTOJOHDGJDJSIW-RDGATRHJSA-N 1 0 483.701 4.445 20 0 JIADRO Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)ccc1N1CC[NH+](C)CC1 ZINC001356430477 1067750075 /nfs/dbraw/zinc/75/00/75/1067750075.db2.gz FVZPIGPZBFAUHQ-UHFFFAOYSA-N 1 0 455.356 4.417 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300128901 1067763028 /nfs/dbraw/zinc/76/30/28/1067763028.db2.gz XOKAGBGJZQPDER-HXUWFJFHSA-N 1 0 457.688 4.278 20 0 JIADRO Cc1ccc(NC(=S)N2CCC[C@@H]([NH+]3CC(CNC(=O)OC(C)(C)C)C3)C2)c(Br)c1 ZINC001200151013 1067767723 /nfs/dbraw/zinc/76/77/23/1067767723.db2.gz RWEQLQNBAXQNHF-QGZVFWFLSA-N 1 0 497.503 4.375 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001352861256 1067771949 /nfs/dbraw/zinc/77/19/49/1067771949.db2.gz HXSRMGQSFZEEGQ-UHFFFAOYSA-N 1 0 458.610 4.198 20 0 JIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccc(Br)cc1 ZINC001352862027 1067772383 /nfs/dbraw/zinc/77/23/83/1067772383.db2.gz MBNLNXZBUZVCNZ-UHFFFAOYSA-N 1 0 459.306 4.437 20 0 JIADRO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300133454 1067773549 /nfs/dbraw/zinc/77/35/49/1067773549.db2.gz UIYAIHUUTQNQMG-HSZRJFAPSA-N 1 0 469.674 4.372 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001352869516 1067776188 /nfs/dbraw/zinc/77/61/88/1067776188.db2.gz VVGPCPVMMWLFOX-FQEVSTJZSA-N 1 0 458.400 4.246 20 0 JIADRO COc1ccc([C@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000849057644 1067788307 /nfs/dbraw/zinc/78/83/07/1067788307.db2.gz RGTAVQUTZZVMGP-YWZLYKJASA-N 1 0 481.424 4.259 20 0 JIADRO COc1ccc([C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000849057643 1067788362 /nfs/dbraw/zinc/78/83/62/1067788362.db2.gz RGTAVQUTZZVMGP-QRWLVFNGSA-N 1 0 481.424 4.259 20 0 JIADRO COC(=O)C1(NC(=S)Nc2ccc(C)cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC001200160648 1067788860 /nfs/dbraw/zinc/78/88/60/1067788860.db2.gz KESYVRMEDOWZFV-UHFFFAOYSA-N 1 0 476.440 4.252 20 0 JIADRO C[C@H]1CN([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2c(F)cccc2Cl)CCO1 ZINC000849058168 1067789420 /nfs/dbraw/zinc/78/94/20/1067789420.db2.gz RGVWIVQOIYVKQW-KXBFYZLASA-N 1 0 462.953 4.039 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)F)c1 ZINC001356611795 1067789833 /nfs/dbraw/zinc/78/98/33/1067789833.db2.gz HQWZJRDZFSEMSB-UHFFFAOYSA-N 1 0 455.509 4.134 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(F)ccc(C)c2Br)c1 ZINC001356611751 1067789915 /nfs/dbraw/zinc/78/99/15/1067789915.db2.gz GSRMEBMQXQOLDP-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO C[C@H](NC(=[NH2+])NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849062618 1067791820 /nfs/dbraw/zinc/79/18/20/1067791820.db2.gz WQPPVHZDBCJYCS-INIZCTEOSA-N 1 0 478.424 4.029 20 0 JIADRO Cc1c(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001352909956 1067797822 /nfs/dbraw/zinc/79/78/22/1067797822.db2.gz DUJHFBMKPVNEGI-HNNXBMFYSA-N 1 0 457.500 4.416 20 0 JIADRO COc1ccc(CCn2c(C3CC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC001300146874 1067800796 /nfs/dbraw/zinc/80/07/96/1067800796.db2.gz MUPYYZJIXPZLLA-UHFFFAOYSA-N 1 0 462.436 4.090 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC001300150648 1067806534 /nfs/dbraw/zinc/80/65/34/1067806534.db2.gz WDEJQLMNUMJJTP-UHFFFAOYSA-N 1 0 478.479 4.411 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1OC ZINC001357119889 1067806548 /nfs/dbraw/zinc/80/65/48/1067806548.db2.gz XUVZNECXHYCAKT-UHFFFAOYSA-N 1 0 454.958 4.221 20 0 JIADRO CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)CC1 ZINC001357145398 1067810291 /nfs/dbraw/zinc/81/02/91/1067810291.db2.gz LJYJWWRCMDYTMO-UHFFFAOYSA-N 1 0 456.030 4.403 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc(OC)c1OC ZINC001357173456 1067814109 /nfs/dbraw/zinc/81/41/09/1067814109.db2.gz CXGUTJURWRPAJF-WDJPJFJCSA-N 1 0 475.589 4.200 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001300162526 1067817831 /nfs/dbraw/zinc/81/78/31/1067817831.db2.gz OPKWLJZMJIMGFV-UHFFFAOYSA-N 1 0 485.032 4.058 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)cc1 ZINC001300163649 1067820423 /nfs/dbraw/zinc/82/04/23/1067820423.db2.gz DBRXQZUNWBJJMI-UHFFFAOYSA-N 1 0 487.446 4.175 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300164715 1067822255 /nfs/dbraw/zinc/82/22/55/1067822255.db2.gz VRDWJROODLZECD-KRWDZBQOSA-N 1 0 487.446 4.413 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300166489 1067824676 /nfs/dbraw/zinc/82/46/76/1067824676.db2.gz PONMPHKWVPPLMD-UHFFFAOYSA-N 1 0 463.630 4.138 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1O ZINC001300167569 1067826102 /nfs/dbraw/zinc/82/61/02/1067826102.db2.gz WKWGLDUQRQMNBW-NRFANRHFSA-N 1 0 478.622 4.364 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001300169334 1067827423 /nfs/dbraw/zinc/82/74/23/1067827423.db2.gz DWRWMUGXCCTODG-GMAHTHKFSA-N 1 0 455.647 4.390 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300169681 1067828070 /nfs/dbraw/zinc/82/80/70/1067828070.db2.gz JUZDTFGRJQSQKF-RQNQAMLKSA-N 1 0 455.647 4.328 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)cc1F ZINC001300170001 1067828274 /nfs/dbraw/zinc/82/82/74/1067828274.db2.gz NLZANVQQNMSBBL-HSZRJFAPSA-N 1 0 459.610 4.426 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC(F)F ZINC001300169892 1067828387 /nfs/dbraw/zinc/82/83/87/1067828387.db2.gz LYWNOWYANYIXIP-GHTZIAJQSA-N 1 0 493.599 4.498 20 0 JIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001357278775 1067829608 /nfs/dbraw/zinc/82/96/08/1067829608.db2.gz HOAKKKYEHAJVFA-UHFFFAOYSA-N 1 0 456.428 4.006 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001300173618 1067833148 /nfs/dbraw/zinc/83/31/48/1067833148.db2.gz MBKMDRBZSRWUOY-AZUAARDMSA-N 1 0 459.610 4.077 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001300175218 1067834352 /nfs/dbraw/zinc/83/43/52/1067834352.db2.gz XICJYWIQZMURKX-QFIPXVFZSA-N 1 0 455.647 4.390 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300176226 1067835637 /nfs/dbraw/zinc/83/56/37/1067835637.db2.gz MIHPQCQFFZKQQK-DEOSSOPVSA-N 1 0 462.642 4.277 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300176653 1067837133 /nfs/dbraw/zinc/83/71/33/1067837133.db2.gz BDEMAGSBUYKWTB-KDURUIRLSA-N 1 0 498.697 4.167 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC001300176605 1067837143 /nfs/dbraw/zinc/83/71/43/1067837143.db2.gz ZQDWVWNLJSTWAR-FQEVSTJZSA-N 1 0 466.605 4.313 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300176654 1067837176 /nfs/dbraw/zinc/83/71/76/1067837176.db2.gz BDEMAGSBUYKWTB-OALUTQOASA-N 1 0 498.697 4.167 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1F ZINC001300178836 1067840309 /nfs/dbraw/zinc/84/03/09/1067840309.db2.gz GUZFXXWBHGRKOE-TZIWHRDSSA-N 1 0 459.591 4.278 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001300179773 1067842595 /nfs/dbraw/zinc/84/25/95/1067842595.db2.gz ZDLNBEAOZGOZFO-SIKLNZKXSA-N 1 0 457.619 4.048 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CC2(SC)CC[NH+](C)CC2)cc1O ZINC001300179982 1067842935 /nfs/dbraw/zinc/84/29/35/1067842935.db2.gz HTEODRJCIBHZEB-UHFFFAOYSA-N 1 0 473.687 4.189 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300180261 1067843296 /nfs/dbraw/zinc/84/32/96/1067843296.db2.gz KIZQGMFNQOJHJJ-HRFSGMKKSA-N 1 0 479.673 4.295 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc21 ZINC001357428136 1067848901 /nfs/dbraw/zinc/84/89/01/1067848901.db2.gz YNTACXPUFYCYGW-UHFFFAOYSA-N 1 0 455.436 4.493 20 0 JIADRO CC(C)COc1ccc(C2(C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)CCC2)cc1 ZINC001357428141 1067848909 /nfs/dbraw/zinc/84/89/09/1067848909.db2.gz YRMHXFPCNAQBLT-UHFFFAOYSA-N 1 0 451.567 4.251 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(OC)c1OC ZINC001300191983 1067856923 /nfs/dbraw/zinc/85/69/23/1067856923.db2.gz YWDILQHPXJKRNZ-LJQANCHMSA-N 1 0 471.646 4.142 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3)cc2)CC1 ZINC001357501426 1067859722 /nfs/dbraw/zinc/85/97/22/1067859722.db2.gz GUGQBYMGLMHFDX-UHFFFAOYSA-N 1 0 454.372 4.029 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001200221977 1067864013 /nfs/dbraw/zinc/86/40/13/1067864013.db2.gz NNMXDOUEZLMVRA-PMACEKPBSA-N 1 0 475.456 4.133 20 0 JIADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001357598572 1067875870 /nfs/dbraw/zinc/87/58/70/1067875870.db2.gz CAHZCQUWMAZANR-QFIPXVFZSA-N 1 0 451.571 4.415 20 0 JIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(N3CCNC3=O)c2)cc1)C[C@H]1CCCCO1 ZINC001357599770 1067876157 /nfs/dbraw/zinc/87/61/57/1067876157.db2.gz RDBHRXNECAHONK-XMMPIXPASA-N 1 0 450.583 4.248 20 0 JIADRO COc1ccc(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c(Cl)c1OC ZINC001357603774 1067876383 /nfs/dbraw/zinc/87/63/83/1067876383.db2.gz GRNSUPNNUHMRSF-UHFFFAOYSA-N 1 0 459.974 4.353 20 0 JIADRO Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)c2c1 ZINC001357606575 1067876637 /nfs/dbraw/zinc/87/66/37/1067876637.db2.gz UKACQTXLXSUDGL-UHFFFAOYSA-N 1 0 450.514 4.455 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001200233994 1067878360 /nfs/dbraw/zinc/87/83/60/1067878360.db2.gz SCJDRRBNCKYXHR-UHFFFAOYSA-N 1 0 462.457 4.379 20 0 JIADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001357632184 1067879877 /nfs/dbraw/zinc/87/98/77/1067879877.db2.gz UQFKTKFZNSQPCI-OEQAEZTDSA-N 1 0 457.618 4.475 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001357649117 1067882008 /nfs/dbraw/zinc/88/20/08/1067882008.db2.gz DPBDQVHMIXNIKT-UHFFFAOYSA-N 1 0 459.472 4.093 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492558738 1067882447 /nfs/dbraw/zinc/88/24/47/1067882447.db2.gz FJASUIDJXGVOOE-FGZHOGPDSA-N 1 0 469.674 4.394 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1Cl ZINC001300213405 1067883626 /nfs/dbraw/zinc/88/36/26/1067883626.db2.gz PLNVOHXXOQELFP-UHFFFAOYSA-N 1 0 486.064 4.023 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492560091 1067887971 /nfs/dbraw/zinc/88/79/71/1067887971.db2.gz FSAXERIKAHIILW-JTHBVZDNSA-N 1 0 482.673 4.335 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001492560087 1067887998 /nfs/dbraw/zinc/88/79/98/1067887998.db2.gz FSAXERIKAHIILW-GGAORHGYSA-N 1 0 482.673 4.335 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001357905368 1067936970 /nfs/dbraw/zinc/93/69/70/1067936970.db2.gz PIWWCPUSMQDFFH-ATIYNZHBSA-N 1 0 456.631 4.193 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001357905372 1067937187 /nfs/dbraw/zinc/93/71/87/1067937187.db2.gz PIWWCPUSMQDFFH-GJZUVCINSA-N 1 0 456.631 4.193 20 0 JIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cscc3Br)cc2)C[C@@H]1C ZINC001357905490 1067938106 /nfs/dbraw/zinc/93/81/06/1067938106.db2.gz KBHCOOJEZXHNKD-HOTGVXAUSA-N 1 0 451.430 4.450 20 0 JIADRO C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358026517 1067990900 /nfs/dbraw/zinc/99/09/00/1067990900.db2.gz CNQGKQZZTWJKEH-ZDUSSCGKSA-N 1 0 454.771 4.484 20 0 JIADRO CC(C)COC(=O)N1CCC(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038615 1068000772 /nfs/dbraw/zinc/00/07/72/1068000772.db2.gz JDWPIUURNOMROI-WIYYLYMNSA-N 1 0 453.986 4.093 20 0 JIADRO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)NCc1ccccc1 ZINC001358042130 1068001800 /nfs/dbraw/zinc/00/18/00/1068001800.db2.gz GFXKIMWNTFBTCI-IZZNHLLZSA-N 1 0 476.020 4.378 20 0 JIADRO CC(C)(C)OCc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001358062754 1068006108 /nfs/dbraw/zinc/00/61/08/1068006108.db2.gz PCDMCCXOLLPNQW-JOCHJYFZSA-N 1 0 450.627 4.071 20 0 JIADRO COc1ccc(OC)c(CCCn2c([C@H]3CCCO3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001300255088 1068013217 /nfs/dbraw/zinc/01/32/17/1068013217.db2.gz WHUBDIJTLRWRGT-XMMPIXPASA-N 1 0 485.673 4.338 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(-c4cccn4C)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001300260645 1068023317 /nfs/dbraw/zinc/02/33/17/1068023317.db2.gz IVMPQQNNRLYRHD-UHFFFAOYSA-N 1 0 480.657 4.459 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)[C@@H]3c3cnn(C)c3)c2C1 ZINC001358122923 1068024481 /nfs/dbraw/zinc/02/44/81/1068024481.db2.gz ZGFUUGSXCWAHJH-HYBUGGRVSA-N 1 0 451.615 4.109 20 0 JIADRO CC(=O)N[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328771 1068029278 /nfs/dbraw/zinc/02/92/78/1068029278.db2.gz QXAIHZUKGHQSHN-KSFYIVLOSA-N 1 0 458.400 4.497 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccoc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300263644 1068030677 /nfs/dbraw/zinc/03/06/77/1068030677.db2.gz KRPHDOIMXOBKFD-JOCHJYFZSA-N 1 0 453.587 4.216 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300265435 1068035598 /nfs/dbraw/zinc/03/55/98/1068035598.db2.gz VBSWGQGVJPFLOB-JKYAZJQKSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300266051 1068037006 /nfs/dbraw/zinc/03/70/06/1068037006.db2.gz BAENYAKLCXCJDB-MSOLQXFVSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300266054 1068037099 /nfs/dbraw/zinc/03/70/99/1068037099.db2.gz BAENYAKLCXCJDB-ZWKOTPCHSA-N 1 0 469.552 4.375 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300266264 1068037572 /nfs/dbraw/zinc/03/75/72/1068037572.db2.gz DMQMQPDDEPQDLL-BDTNDASRSA-N 1 0 485.673 4.095 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300268030 1068041623 /nfs/dbraw/zinc/04/16/23/1068041623.db2.gz CXHPCIGRZKNJJT-VSKRKVRLSA-N 1 0 471.646 4.134 20 0 JIADRO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCN1CC(F)(F)F ZINC001358205771 1068043655 /nfs/dbraw/zinc/04/36/55/1068043655.db2.gz FECYCWXBKOCDKT-MISYRCLQSA-N 1 0 451.558 4.059 20 0 JIADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccc4c(Br)cccc34)cc21 ZINC001358210499 1068044816 /nfs/dbraw/zinc/04/48/16/1068044816.db2.gz KVPJDFZPMROQIM-UHFFFAOYSA-N 1 0 454.324 4.324 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300274169 1068057147 /nfs/dbraw/zinc/05/71/47/1068057147.db2.gz YQIQZDISDNZPCP-SZPZYZBQSA-N 1 0 485.673 4.237 20 0 JIADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001353364185 1068062390 /nfs/dbraw/zinc/06/23/90/1068062390.db2.gz APSCGGJEUGMXNY-UHFFFAOYSA-N 1 0 452.546 4.373 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300278054 1068064484 /nfs/dbraw/zinc/06/44/84/1068064484.db2.gz PHDNONDCVODGQR-HXUWFJFHSA-N 1 0 455.647 4.470 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300278543 1068065324 /nfs/dbraw/zinc/06/53/24/1068065324.db2.gz QZSHHMBDCYZIJC-BWAGFHJFSA-N 1 0 485.654 4.091 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492564588 1068067676 /nfs/dbraw/zinc/06/76/76/1068067676.db2.gz MKFAKMQQHOYCON-RBBKRZOGSA-N 1 0 468.646 4.039 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001492564863 1068072406 /nfs/dbraw/zinc/07/24/06/1068072406.db2.gz VODSUXMRAQRAFT-UHFFFAOYSA-N 1 0 482.717 4.311 20 0 JIADRO O=C(CCCCc1nc2ccccc2s1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001353387583 1068077666 /nfs/dbraw/zinc/07/76/66/1068077666.db2.gz JFFDQDZIPBSOJV-UHFFFAOYSA-N 1 0 450.608 4.473 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300283925 1068079924 /nfs/dbraw/zinc/07/99/24/1068079924.db2.gz ORZZADNDZPCEKE-UHFFFAOYSA-N 1 0 490.446 4.231 20 0 JIADRO COc1cc(NC(=O)c2ccc3c[nH+]cn3c2C)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001353400405 1068088684 /nfs/dbraw/zinc/08/86/84/1068088684.db2.gz KOYNFUUFRVEGMR-IYBDPMFKSA-N 1 0 450.539 4.315 20 0 JIADRO Cc1ccc(NC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC001358450418 1068094970 /nfs/dbraw/zinc/09/49/70/1068094970.db2.gz LYMGVSWWLRPKRB-UHFFFAOYSA-N 1 0 458.562 4.171 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300295638 1068115097 /nfs/dbraw/zinc/11/50/97/1068115097.db2.gz FDDZZCUEOZJOEK-VXKWHMMOSA-N 1 0 485.673 4.382 20 0 JIADRO COCCOC(=O)Nc1cccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001358491593 1068119192 /nfs/dbraw/zinc/11/91/92/1068119192.db2.gz MCMDWTIFUIRJCN-IBGZPJMESA-N 1 0 455.555 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300296970 1068127061 /nfs/dbraw/zinc/12/70/61/1068127061.db2.gz QWNDKDFRJMJSSX-QHCPKHFHSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001300297679 1068131821 /nfs/dbraw/zinc/13/18/21/1068131821.db2.gz OWDOFBQXTBFTOY-FQEVSTJZSA-N 1 0 473.687 4.320 20 0 JIADRO COc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300297964 1068132208 /nfs/dbraw/zinc/13/22/08/1068132208.db2.gz SAXGFWDWTCFGCX-DFIYOIEZSA-N 1 0 473.687 4.318 20 0 JIADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000493414712 1068139152 /nfs/dbraw/zinc/13/91/52/1068139152.db2.gz YRWZAPREOUEFRN-LJQANCHMSA-N 1 0 450.674 4.275 20 0 JIADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001353473098 1068178146 /nfs/dbraw/zinc/17/81/46/1068178146.db2.gz VAHYURZGRPQBIZ-HSZRJFAPSA-N 1 0 455.574 4.215 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300312861 1068201237 /nfs/dbraw/zinc/20/12/37/1068201237.db2.gz VAPZBLCQTINJMG-XMMPIXPASA-N 1 0 478.641 4.293 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(Cc3ccsc3)CC2)[NH+](C)C)c1 ZINC001300333513 1068291772 /nfs/dbraw/zinc/29/17/72/1068291772.db2.gz BLKONRYTZZJPEY-HSZRJFAPSA-N 1 0 468.671 4.097 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001300333742 1068293574 /nfs/dbraw/zinc/29/35/74/1068293574.db2.gz XNLCNFFXGVAPLE-QFIPXVFZSA-N 1 0 454.663 4.169 20 0 JIADRO C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)C(C)(C)C[NH+](C)C ZINC001200373406 1068299360 /nfs/dbraw/zinc/29/93/60/1068299360.db2.gz UBYBCYJQSSWTSX-HNNXBMFYSA-N 1 0 453.555 4.037 20 0 JIADRO COc1cccc([C@@H](CNC(=O)Nc2nnc(Cc3ccccc3F)s2)[NH+]2CCCC2)c1 ZINC000518165291 1068302650 /nfs/dbraw/zinc/30/26/50/1068302650.db2.gz LDKDCKPJABQFKZ-HXUWFJFHSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)[NH+]2CCCC2)c1 ZINC001300335950 1068309920 /nfs/dbraw/zinc/30/99/20/1068309920.db2.gz XKEWVCWXFMFOKO-FQEVSTJZSA-N 1 0 472.037 4.271 20 0 JIADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)CC1 ZINC000518854851 1068311541 /nfs/dbraw/zinc/31/15/41/1068311541.db2.gz QUGPQWIMTUSJTG-UHFFFAOYSA-N 1 0 480.634 4.286 20 0 JIADRO COc1cccc([C@H](Cn2c(C3CC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300338204 1068315316 /nfs/dbraw/zinc/31/53/16/1068315316.db2.gz ADXFCAKLDRZKEU-QFIPXVFZSA-N 1 0 498.672 4.351 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)cc2)CC1 ZINC001353552428 1068315859 /nfs/dbraw/zinc/31/58/59/1068315859.db2.gz XTFRZNYRDWZOBS-MAODHWIISA-N 1 0 456.631 4.097 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@@H]2C)[NH+](C)C)c1 ZINC001300338540 1068317215 /nfs/dbraw/zinc/31/72/15/1068317215.db2.gz CKMVNMDAMYGINA-YDHSSHFGSA-N 1 0 466.655 4.290 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)CCC2CCOCC2)[NH+](C)C)c1 ZINC001300339390 1068319115 /nfs/dbraw/zinc/31/91/15/1068319115.db2.gz HANFBACJFUAJNK-QHCPKHFHSA-N 1 0 457.663 4.431 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339439 1068319341 /nfs/dbraw/zinc/31/93/41/1068319341.db2.gz HZKWZVOFDJUNJK-XJUOHMSHSA-N 1 0 455.647 4.356 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC001300340059 1068320867 /nfs/dbraw/zinc/32/08/67/1068320867.db2.gz KIXMCCLTZASTFH-FQEVSTJZSA-N 1 0 451.537 4.487 20 0 JIADRO COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)C2CCCCC2)[NH+](C)C)c1 ZINC001300341102 1068326504 /nfs/dbraw/zinc/32/65/04/1068326504.db2.gz QIVNEMKUFKXXCB-RDPSFJRHSA-N 1 0 482.673 4.117 20 0 JIADRO COc1cccc([C@@H](Cn2c(N3CCC(C)(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)c1 ZINC001300341107 1068326959 /nfs/dbraw/zinc/32/69/59/1068326959.db2.gz QJAZUAYORARLFY-YIXXDRMTSA-N 1 0 485.673 4.257 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N(C)C[C@H]2CCCCO2)[NH+](C)C)c1 ZINC001300341859 1068329244 /nfs/dbraw/zinc/32/92/44/1068329244.db2.gz TXLPBJYNLULIMS-DNQXCXABSA-N 1 0 455.647 4.328 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1)c1ccccc1 ZINC000521748558 1068335458 /nfs/dbraw/zinc/33/54/58/1068335458.db2.gz WSHXVAONAWYMTA-FGZHOGPDSA-N 1 0 492.649 4.099 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3CCC(C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001300345666 1068342702 /nfs/dbraw/zinc/34/27/02/1068342702.db2.gz REFMEVNWOHLSHR-WQMHRJNTSA-N 1 0 455.647 4.470 20 0 JIADRO CCCCc1ccc(NC(=S)N2CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)cc1 ZINC001200386661 1068350784 /nfs/dbraw/zinc/35/07/84/1068350784.db2.gz UVADDWKACNPPKI-NDEPHWFRSA-N 1 0 491.705 4.225 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001300350780 1068360829 /nfs/dbraw/zinc/36/08/29/1068360829.db2.gz LENJYWGTKMIBGO-SFHVURJKSA-N 1 0 454.644 4.477 20 0 JIADRO COc1cccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300351040 1068362091 /nfs/dbraw/zinc/36/20/91/1068362091.db2.gz WHTQKYRGQBQJBY-LJQANCHMSA-N 1 0 454.644 4.415 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3CCOCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001300351188 1068362372 /nfs/dbraw/zinc/36/23/72/1068362372.db2.gz AYSSUEMCPIVECV-XMMPIXPASA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N(CC(C)C)C3CCCC3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300355676 1068376419 /nfs/dbraw/zinc/37/64/19/1068376419.db2.gz XGFDSUKAZZOYTL-UHFFFAOYSA-N 1 0 455.647 4.206 20 0 JIADRO COc1cccc(-c2nnc(N(Cc3cccs3)C(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001300355717 1068376491 /nfs/dbraw/zinc/37/64/91/1068376491.db2.gz YLFAWIAEKGLELU-HXUWFJFHSA-N 1 0 469.655 4.399 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300367488 1068407909 /nfs/dbraw/zinc/40/79/09/1068407909.db2.gz OMAPNVIENDGLDQ-NRFANRHFSA-N 1 0 455.647 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001300367712 1068409024 /nfs/dbraw/zinc/40/90/24/1068409024.db2.gz QIWUBWROWCYGQD-ZJSXRUAMSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300373750 1068436587 /nfs/dbraw/zinc/43/65/87/1068436587.db2.gz BWZKOXMIOCYETD-SZPZYZBQSA-N 1 0 496.700 4.063 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300377789 1068457629 /nfs/dbraw/zinc/45/76/29/1068457629.db2.gz LMDSKBRPEJJVOV-RLWLMLJZSA-N 1 0 455.647 4.471 20 0 JIADRO FC(F)(F)c1c(Br)cnc(NC(=S)NCC[NH+]2CCCCC2)c1Br ZINC001200422620 1068482433 /nfs/dbraw/zinc/48/24/33/1068482433.db2.gz ZXOOFTAECQUUOO-UHFFFAOYSA-N 1 0 490.187 4.398 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H](C)c2ncc(C)s2)c1 ZINC001300389773 1068501838 /nfs/dbraw/zinc/50/18/38/1068501838.db2.gz QUIVDYVNIFZZJX-LJQANCHMSA-N 1 0 484.670 4.069 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(c4cccs4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300390139 1068503571 /nfs/dbraw/zinc/50/35/71/1068503571.db2.gz YBGUKBCWYVBOMN-UHFFFAOYSA-N 1 0 454.644 4.072 20 0 JIADRO O=C1N(c2ccccc2)c2ccc(NC(=S)NCC[NH+]3CCCCC3)cc2C12CCOCC2 ZINC001200429993 1068513077 /nfs/dbraw/zinc/51/30/77/1068513077.db2.gz BFXJDMYTXXZAJK-UHFFFAOYSA-N 1 0 464.635 4.185 20 0 JIADRO CC(C)COc1ncc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1Cl ZINC001353734528 1068523813 /nfs/dbraw/zinc/52/38/13/1068523813.db2.gz GGJKXCYWZKITBT-HXUWFJFHSA-N 1 0 458.990 4.188 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001300394609 1068525148 /nfs/dbraw/zinc/52/51/48/1068525148.db2.gz GSHSUKZSOFIQGP-OFNKIYASSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001300399620 1068550230 /nfs/dbraw/zinc/55/02/30/1068550230.db2.gz HWEOOQUMMQBGTR-QHCPKHFHSA-N 1 0 468.646 4.031 20 0 JIADRO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001300403781 1068562120 /nfs/dbraw/zinc/56/21/20/1068562120.db2.gz TVSKMKXSCGZHPJ-REWPJTCUSA-N 1 0 482.673 4.134 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc([C@H]3CCCOC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300404990 1068564853 /nfs/dbraw/zinc/56/48/53/1068564853.db2.gz YAQCIGYPMCPTQF-SFLYRZDNSA-N 1 0 455.647 4.499 20 0 JIADRO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001300405047 1068566284 /nfs/dbraw/zinc/56/62/84/1068566284.db2.gz YQODYYIUMMHDEH-SLSDLSHTSA-N 1 0 496.700 4.380 20 0 JIADRO COc1cccc(C2CCN(c3nnc(Cc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300406093 1068569212 /nfs/dbraw/zinc/56/92/12/1068569212.db2.gz TWGYSNMJJQFNAV-UHFFFAOYSA-N 1 0 462.642 4.387 20 0 JIADRO COc1cccc(C=C2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001300406554 1068573464 /nfs/dbraw/zinc/57/34/64/1068573464.db2.gz FGKYCDIAMMLMOT-QFIPXVFZSA-N 1 0 494.684 4.373 20 0 JIADRO CCOc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c(F)cc1OC ZINC001200449369 1068592730 /nfs/dbraw/zinc/59/27/30/1068592730.db2.gz BGGLEMVNANWUEH-UHFFFAOYSA-N 1 0 453.352 4.134 20 0 JIADRO COc1cccc(CN(C)c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001300418004 1068620041 /nfs/dbraw/zinc/62/00/41/1068620041.db2.gz QKXBXVHTRSLGMN-UHFFFAOYSA-N 1 0 455.647 4.470 20 0 JIADRO CCCCNC(=S)Nc1cc(-c2cccc(CN3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200458236 1068628427 /nfs/dbraw/zinc/62/84/27/1068628427.db2.gz JFQPRYIDNZGNJU-UHFFFAOYSA-N 1 0 481.710 4.024 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300420581 1068631521 /nfs/dbraw/zinc/63/15/21/1068631521.db2.gz BXBSFOODVPBADG-QFIPXVFZSA-N 1 0 462.623 4.273 20 0 JIADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001300434075 1068690243 /nfs/dbraw/zinc/69/02/43/1068690243.db2.gz INNMFMONIPOVOG-LJQANCHMSA-N 1 0 458.628 4.198 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300440828 1068714133 /nfs/dbraw/zinc/71/41/33/1068714133.db2.gz XSOPOBCYUZKRHE-OYRHEFFESA-N 1 0 486.680 4.418 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC001353892096 1068728170 /nfs/dbraw/zinc/72/81/70/1068728170.db2.gz UDAKKWRDVIDOTN-ILBGXUMGSA-N 1 0 453.602 4.073 20 0 JIADRO COc1ccccc1[C@@H](Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001300456371 1068775515 /nfs/dbraw/zinc/77/55/15/1068775515.db2.gz FEKWBZDGPWEHNE-IRLDBZIGSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300463813 1068801852 /nfs/dbraw/zinc/80/18/52/1068801852.db2.gz FWWJTZPWMPLMII-XJUOHMSHSA-N 1 0 455.647 4.325 20 0 JIADRO CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC001353961522 1068802775 /nfs/dbraw/zinc/80/27/75/1068802775.db2.gz RDGPDYARNJAHMQ-NHCUHLMSSA-N 1 0 454.442 4.471 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2cc(C)cs2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300465245 1068803268 /nfs/dbraw/zinc/80/32/68/1068803268.db2.gz HLZSZQGASAMNGS-JOCHJYFZSA-N 1 0 469.655 4.317 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[NH+]1CCSCC1 ZINC001300465255 1068803643 /nfs/dbraw/zinc/80/36/43/1068803643.db2.gz HOJKCMIQWSNELG-UHFFFAOYSA-N 1 0 464.060 4.354 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300471050 1068812036 /nfs/dbraw/zinc/81/20/36/1068812036.db2.gz RPLUZGRPNNTSOR-UYAOXDASSA-N 1 0 455.628 4.323 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001492565987 1068821316 /nfs/dbraw/zinc/82/13/16/1068821316.db2.gz KXVOSKKBNOAANK-QHCPKHFHSA-N 1 0 466.674 4.261 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492566872 1068829140 /nfs/dbraw/zinc/82/91/40/1068829140.db2.gz WCPVGWPVGMSQEO-UHFFFAOYSA-N 1 0 487.714 4.025 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001300478944 1068830864 /nfs/dbraw/zinc/83/08/64/1068830864.db2.gz NKAGFWUYHHAMLT-HFSMHLIXSA-N 1 0 481.563 4.230 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001300483530 1068839445 /nfs/dbraw/zinc/83/94/45/1068839445.db2.gz PHCDFLYUQQUHKZ-JOCHJYFZSA-N 1 0 468.690 4.100 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCCOC(C)C ZINC001492568123 1068840741 /nfs/dbraw/zinc/84/07/41/1068840741.db2.gz SCJFAULSYUDLHJ-HSZRJFAPSA-N 1 0 455.647 4.007 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001492568270 1068843120 /nfs/dbraw/zinc/84/31/20/1068843120.db2.gz UYTPXSQUDSMIFL-HSZRJFAPSA-N 1 0 480.701 4.460 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCCN(C)CC(F)(F)F ZINC001492568304 1068843453 /nfs/dbraw/zinc/84/34/53/1068843453.db2.gz WGEYALZTMSDAIL-UHFFFAOYSA-N 1 0 452.569 4.058 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300486212 1068846719 /nfs/dbraw/zinc/84/67/19/1068846719.db2.gz SVHOACXAKSAKRH-NRFANRHFSA-N 1 0 495.590 4.479 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300490158 1068853477 /nfs/dbraw/zinc/85/34/77/1068853477.db2.gz AZDIXMNDCPQLNI-OALUTQOASA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300491680 1068856889 /nfs/dbraw/zinc/85/68/89/1068856889.db2.gz NZXVBUFLXPFPRE-OFNKIYASSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300499688 1068868012 /nfs/dbraw/zinc/86/80/12/1068868012.db2.gz TVGMSXXHKNCLLD-UXHICEINSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300501442 1068870070 /nfs/dbraw/zinc/87/00/70/1068870070.db2.gz KIODDYMHQCLMOU-WZONZLPQSA-N 1 0 461.701 4.113 20 0 JIADRO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001359169280 1068880258 /nfs/dbraw/zinc/88/02/58/1068880258.db2.gz BCXZECVESCIUHA-DHLKQENFSA-N 1 0 478.685 4.393 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cc(Br)cs1 ZINC001300507742 1068882336 /nfs/dbraw/zinc/88/23/36/1068882336.db2.gz RQXBITIHPIPTTM-UHFFFAOYSA-N 1 0 476.444 4.356 20 0 JIADRO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001300517775 1068903353 /nfs/dbraw/zinc/90/33/53/1068903353.db2.gz NHCHXEXAIHJBJW-QHCPKHFHSA-N 1 0 455.647 4.471 20 0 JIADRO COc1ccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c(Cl)c1OC ZINC001354133794 1068920684 /nfs/dbraw/zinc/92/06/84/1068920684.db2.gz HZLLHEACZSLPNL-UHFFFAOYSA-N 1 0 459.974 4.353 20 0 JIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147162 1068930897 /nfs/dbraw/zinc/93/08/97/1068930897.db2.gz HVNQEGDARBJKNK-VWNXMTODSA-N 1 0 451.586 4.049 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300528666 1068934398 /nfs/dbraw/zinc/93/43/98/1068934398.db2.gz FZECGPTUTJSUEV-SQJMNOBHSA-N 1 0 476.669 4.460 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300531280 1068943041 /nfs/dbraw/zinc/94/30/41/1068943041.db2.gz WEWGXFSYSYVOAW-XZOQPEGZSA-N 1 0 476.669 4.460 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492569202 1068967109 /nfs/dbraw/zinc/96/71/09/1068967109.db2.gz PHCXWFSQQVDQAF-PMACEKPBSA-N 1 0 466.596 4.303 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492569280 1068968324 /nfs/dbraw/zinc/96/83/24/1068968324.db2.gz RMYLACGMZPLMOW-FPOVZHCZSA-N 1 0 478.607 4.448 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001354211725 1068981970 /nfs/dbraw/zinc/98/19/70/1068981970.db2.gz YVYCHXLWCBYTRP-CZAAIQMYSA-N 1 0 459.612 4.375 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300548025 1068989239 /nfs/dbraw/zinc/98/92/39/1068989239.db2.gz LSNLDUBFDIOSEC-HXUWFJFHSA-N 1 0 455.647 4.146 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492586758 1069005050 /nfs/dbraw/zinc/00/50/50/1069005050.db2.gz RXXQZNQHWNSFMV-FGZHOGPDSA-N 1 0 492.634 4.371 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492586735 1069005114 /nfs/dbraw/zinc/00/51/14/1069005114.db2.gz REHUEDYRBAHBNP-XMMPIXPASA-N 1 0 496.700 4.212 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492586825 1069006874 /nfs/dbraw/zinc/00/68/74/1069006874.db2.gz VBVAHUJGMUDSBR-HSZRJFAPSA-N 1 0 495.716 4.072 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1C[C@H]1C ZINC001492570218 1069017843 /nfs/dbraw/zinc/01/78/43/1069017843.db2.gz UEBXLSNKSAWVCI-MOPGFXCFSA-N 1 0 451.537 4.001 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300558182 1069019975 /nfs/dbraw/zinc/01/99/75/1069019975.db2.gz VVUUPJCKBSEJPG-QFIPXVFZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300560461 1069027933 /nfs/dbraw/zinc/02/79/33/1069027933.db2.gz BOLBXYAREWNPIT-UZINWLIJSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001492572463 1069029606 /nfs/dbraw/zinc/02/96/06/1069029606.db2.gz BUWODVYVFDRLKR-KNQAVFIVSA-N 1 0 466.655 4.083 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001300562500 1069037423 /nfs/dbraw/zinc/03/74/23/1069037423.db2.gz LBCGKBNBOZDWMC-FQEVSTJZSA-N 1 0 495.590 4.300 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300562644 1069038166 /nfs/dbraw/zinc/03/81/66/1069038166.db2.gz JZZHJWMOJVKWLI-SFHVURJKSA-N 1 0 474.447 4.098 20 0 JIADRO Cc1ccccc1[C@@H]1CCN(c2nnc(CC(C)C)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001492572641 1069042129 /nfs/dbraw/zinc/04/21/29/1069042129.db2.gz FLCJSPCRSGHJCJ-XMMPIXPASA-N 1 0 452.691 4.053 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849486194 1069051807 /nfs/dbraw/zinc/05/18/07/1069051807.db2.gz JSSAYCFGKSNMIN-SXOMAYOGSA-N 1 0 482.632 4.403 20 0 JIADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cs1 ZINC000849490976 1069057387 /nfs/dbraw/zinc/05/73/87/1069057387.db2.gz XFFGTNGMXZHQGK-WOJBJXKFSA-N 1 0 457.669 4.086 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[C@H]2CSC)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566486 1069057904 /nfs/dbraw/zinc/05/79/04/1069057904.db2.gz BZVSGTDAZOVACN-UNMCSNQZSA-N 1 0 457.688 4.330 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@@H](c2cnn(C)c2)C1 ZINC000849490834 1069058553 /nfs/dbraw/zinc/05/85/53/1069058553.db2.gz PULAYBHYCGLILL-WOJBJXKFSA-N 1 0 463.607 4.420 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001300566896 1069059643 /nfs/dbraw/zinc/05/96/43/1069059643.db2.gz GDJZYBBJXCSANT-RDGATRHJSA-N 1 0 469.674 4.249 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849493639 1069064786 /nfs/dbraw/zinc/06/47/86/1069064786.db2.gz YIDMRYDXVKCRPE-NSOVKSMOSA-N 1 0 496.659 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849494990 1069065951 /nfs/dbraw/zinc/06/59/51/1069065951.db2.gz ZNUSYOBTUZZUFO-SJORKVTESA-N 1 0 458.912 4.467 20 0 JIADRO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849496361 1069067560 /nfs/dbraw/zinc/06/75/60/1069067560.db2.gz JWTFCLJFMIICHV-TZIWHRDSSA-N 1 0 460.022 4.008 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497405 1069068559 /nfs/dbraw/zinc/06/85/59/1069068559.db2.gz NXPQDUKOTUTZAP-PMACEKPBSA-N 1 0 471.602 4.228 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497463 1069069683 /nfs/dbraw/zinc/06/96/83/1069069683.db2.gz OCZPYSZWUVYPDB-SFTDATJTSA-N 1 0 461.635 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849499739 1069071157 /nfs/dbraw/zinc/07/11/57/1069071157.db2.gz FHPQFHKEAZUCEZ-LSQMVHIFSA-N 1 0 464.585 4.310 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849499629 1069071189 /nfs/dbraw/zinc/07/11/89/1069071189.db2.gz NEFQQCPJRKMSRM-FGZHOGPDSA-N 1 0 463.582 4.377 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849500125 1069072232 /nfs/dbraw/zinc/07/22/32/1069072232.db2.gz GPSGSVKXEJRZFD-RPWUZVMVSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849501498 1069073870 /nfs/dbraw/zinc/07/38/70/1069073870.db2.gz MVLDUYFSJVQFMD-NHCUHLMSSA-N 1 0 470.017 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502320 1069074006 /nfs/dbraw/zinc/07/40/06/1069074006.db2.gz PVRRWKHHWOHNAH-UXHICEINSA-N 1 0 470.511 4.290 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501894 1069074870 /nfs/dbraw/zinc/07/48/70/1069074870.db2.gz XWCIYHZHCLBBJL-LZYPDUGYSA-N 1 0 461.610 4.085 20 0 JIADRO CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849502807 1069076632 /nfs/dbraw/zinc/07/66/32/1069076632.db2.gz SSOKKXCPAWQCCY-VJBMBRPKSA-N 1 0 456.631 4.299 20 0 JIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849502667 1069078605 /nfs/dbraw/zinc/07/86/05/1069078605.db2.gz DMVJAVOSKPEYOK-CTNGQTDRSA-N 1 0 474.049 4.445 20 0 JIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849502899 1069078690 /nfs/dbraw/zinc/07/86/90/1069078690.db2.gz FYXPTNUOVVHDFI-LADGPHEKSA-N 1 0 494.039 4.410 20 0 JIADRO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504355 1069080388 /nfs/dbraw/zinc/08/03/88/1069080388.db2.gz OQWMOJKRPBEGAB-AMDXRBSFSA-N 1 0 491.636 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849505310 1069085260 /nfs/dbraw/zinc/08/52/60/1069085260.db2.gz HCPBZELIPIFNCZ-MOPGFXCFSA-N 1 0 484.442 4.063 20 0 JIADRO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505033 1069085428 /nfs/dbraw/zinc/08/54/28/1069085428.db2.gz RDDAHGCVQMFKEA-RPWUZVMVSA-N 1 0 465.642 4.244 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849507160 1069087106 /nfs/dbraw/zinc/08/71/06/1069087106.db2.gz PECHBAZTSLYTCE-SJORKVTESA-N 1 0 453.812 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849505577 1069087202 /nfs/dbraw/zinc/08/72/02/1069087202.db2.gz IGBUFYKRLIQZMO-WOJBJXKFSA-N 1 0 460.504 4.077 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300573615 1069089604 /nfs/dbraw/zinc/08/96/04/1069089604.db2.gz IXOYZFPTAJPKDE-ZJSXRUAMSA-N 1 0 455.647 4.003 20 0 JIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510279 1069090758 /nfs/dbraw/zinc/09/07/58/1069090758.db2.gz HZSYTQBKUSDMPS-WDJPJFJCSA-N 1 0 465.642 4.053 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510214 1069090802 /nfs/dbraw/zinc/09/08/02/1069090802.db2.gz PHRWHBAZMDBFSG-LEWJYISDSA-N 1 0 459.432 4.192 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001492575029 1069091376 /nfs/dbraw/zinc/09/13/76/1069091376.db2.gz GEMCQMSLYPICRO-NQHRYMMQSA-N 1 0 453.675 4.429 20 0 JIADRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849509598 1069092494 /nfs/dbraw/zinc/09/24/94/1069092494.db2.gz ZWWFDJXYKHIOQN-OALUTQOASA-N 1 0 468.627 4.221 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@@H](c2cnn(C)c2)C1 ZINC000849510680 1069095109 /nfs/dbraw/zinc/09/51/09/1069095109.db2.gz KXZTZLLYVFFOLY-PZJWPPBQSA-N 1 0 481.000 4.173 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001354309526 1069096415 /nfs/dbraw/zinc/09/64/15/1069096415.db2.gz TYRJTGFHQBYVIF-QHCPKHFHSA-N 1 0 452.599 4.108 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513480 1069098010 /nfs/dbraw/zinc/09/80/10/1069098010.db2.gz SNPADWHJEVLGKQ-IZZNHLLZSA-N 1 0 458.606 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCOC3(CCCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300576811 1069102169 /nfs/dbraw/zinc/10/21/69/1069102169.db2.gz LDGWZWUSPVNEED-HSZRJFAPSA-N 1 0 469.674 4.393 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518289 1069105078 /nfs/dbraw/zinc/10/50/78/1069105078.db2.gz GNDFPMIJOOYJNF-FQLXRVMXSA-N 1 0 496.659 4.462 20 0 JIADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519349 1069109174 /nfs/dbraw/zinc/10/91/74/1069109174.db2.gz JBDOMEOIFJALLY-WDNCENIBSA-N 1 0 450.558 4.051 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518617 1069109935 /nfs/dbraw/zinc/10/99/35/1069109935.db2.gz OGPCEXJSIVPGEA-JWQCQUIFSA-N 1 0 471.605 4.076 20 0 JIADRO CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849519498 1069111002 /nfs/dbraw/zinc/11/10/02/1069111002.db2.gz JUOKYSJPQNSOQC-QZTJIDSGSA-N 1 0 499.965 4.003 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520428 1069111051 /nfs/dbraw/zinc/11/10/51/1069111051.db2.gz ZHDXHNBWLUSHDD-XZOQPEGZSA-N 1 0 458.566 4.318 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520445 1069111165 /nfs/dbraw/zinc/11/11/65/1069111165.db2.gz ZLPOUAKZCIMPIE-MOPGFXCFSA-N 1 0 474.531 4.386 20 0 JIADRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520086 1069111789 /nfs/dbraw/zinc/11/17/89/1069111789.db2.gz VPFRDDQRQUWIHO-DNQXCXABSA-N 1 0 459.594 4.433 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849522267 1069114474 /nfs/dbraw/zinc/11/44/74/1069114474.db2.gz KMYZYUONAFVIFA-WOJBJXKFSA-N 1 0 452.628 4.050 20 0 JIADRO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849522088 1069114961 /nfs/dbraw/zinc/11/49/61/1069114961.db2.gz WZGICGUOHRKWKB-ZEQRLZLVSA-N 1 0 486.620 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849522904 1069115935 /nfs/dbraw/zinc/11/59/35/1069115935.db2.gz QAOHSWPPEINELS-RTWAWAEBSA-N 1 0 465.623 4.115 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522711 1069116364 /nfs/dbraw/zinc/11/63/64/1069116364.db2.gz NOURWTFEMNHDFU-UXHICEINSA-N 1 0 459.472 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849524094 1069117485 /nfs/dbraw/zinc/11/74/85/1069117485.db2.gz YSCYGKVPIQAUBL-AQOAWAETSA-N 1 0 483.415 4.280 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526335 1069120780 /nfs/dbraw/zinc/12/07/80/1069120780.db2.gz SDXAKISNQVBELQ-FGZHOGPDSA-N 1 0 492.495 4.322 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cn1 ZINC000849527986 1069128349 /nfs/dbraw/zinc/12/83/49/1069128349.db2.gz YFWDARLABRMMBH-GSDHBNRESA-N 1 0 471.605 4.071 20 0 JIADRO COc1ccccc1CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300586080 1069132443 /nfs/dbraw/zinc/13/24/43/1069132443.db2.gz AGBBJOZTCRMUSP-RBTNQOKQSA-N 1 0 493.700 4.338 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849529796 1069134051 /nfs/dbraw/zinc/13/40/51/1069134051.db2.gz KBSWCAGNNWTEJG-RTWAWAEBSA-N 1 0 457.688 4.394 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533360 1069140228 /nfs/dbraw/zinc/14/02/28/1069140228.db2.gz BCIAIQWQYPSJAY-LOSJGSFVSA-N 1 0 450.627 4.274 20 0 JIADRO COc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300591855 1069157654 /nfs/dbraw/zinc/15/76/54/1069157654.db2.gz MXZFWYSYUDVPNF-HXUWFJFHSA-N 1 0 491.640 4.081 20 0 JIADRO CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539356 1069162715 /nfs/dbraw/zinc/16/27/15/1069162715.db2.gz SOVGUGJBHYNMQR-GPXNEJASSA-N 1 0 452.002 4.142 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549098 1069188386 /nfs/dbraw/zinc/18/83/86/1069188386.db2.gz RNVMNQNFRXYNCV-XDWGWCSASA-N 1 0 478.662 4.322 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551920 1069193238 /nfs/dbraw/zinc/19/32/38/1069193238.db2.gz GXFMCKTXPDIQCF-RTWAWAEBSA-N 1 0 481.000 4.069 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552280 1069193938 /nfs/dbraw/zinc/19/39/38/1069193938.db2.gz NGUQXMJWLDINNG-RTWAWAEBSA-N 1 0 483.410 4.436 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(OC)c1 ZINC000849553132 1069196141 /nfs/dbraw/zinc/19/61/41/1069196141.db2.gz LXHQEBXLTQYAGU-RZTXVSJASA-N 1 0 483.012 4.032 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555125 1069200397 /nfs/dbraw/zinc/20/03/97/1069200397.db2.gz XHZJEMUPAUHGTF-FGZHOGPDSA-N 1 0 465.425 4.080 20 0 JIADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849556078 1069202052 /nfs/dbraw/zinc/20/20/52/1069202052.db2.gz VHWTYSJDEPJNHR-PFBJBMPXSA-N 1 0 460.622 4.181 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@H](c2cnn(C)c2)C1 ZINC000849557057 1069203574 /nfs/dbraw/zinc/20/35/74/1069203574.db2.gz YGUZBAFLMQIJLL-GOTSBHOMSA-N 1 0 487.689 4.016 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@@H](c2cnn(C)c2)C1 ZINC000849557059 1069203700 /nfs/dbraw/zinc/20/37/00/1069203700.db2.gz YGUZBAFLMQIJLL-XZOQPEGZSA-N 1 0 487.689 4.016 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561746 1069212031 /nfs/dbraw/zinc/21/20/31/1069212031.db2.gz KVDACUYOYUYLPC-XZOQPEGZSA-N 1 0 471.527 4.098 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562554 1069212776 /nfs/dbraw/zinc/21/27/76/1069212776.db2.gz FHRRWJAIAKHJEW-RTWAWAEBSA-N 1 0 459.432 4.189 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565445 1069214388 /nfs/dbraw/zinc/21/43/88/1069214388.db2.gz VUKNLMFZEQRAQD-WOJBJXKFSA-N 1 0 474.447 4.235 20 0 JIADRO CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849565288 1069215678 /nfs/dbraw/zinc/21/56/78/1069215678.db2.gz SRHLYRBXLBIAHO-GGAORHGYSA-N 1 0 453.631 4.133 20 0 JIADRO Cc1sc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565665 1069217221 /nfs/dbraw/zinc/21/72/21/1069217221.db2.gz ZJARUQUZZNOLTP-KPOBHBOGSA-N 1 0 458.031 4.418 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567543 1069219686 /nfs/dbraw/zinc/21/96/86/1069219686.db2.gz HKEMAAXSOQZZOA-NIYJGHKDSA-N 1 0 476.621 4.157 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849568883 1069220444 /nfs/dbraw/zinc/22/04/44/1069220444.db2.gz QKPCMHGMOSPTQI-RPBOFIJWSA-N 1 0 457.622 4.287 20 0 JIADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849569794 1069221331 /nfs/dbraw/zinc/22/13/31/1069221331.db2.gz VTXJIIZDDFNISG-ROUUACIJSA-N 1 0 492.418 4.204 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569635 1069221387 /nfs/dbraw/zinc/22/13/87/1069221387.db2.gz VDOGHCUPGCTJCI-ZIAGYGMSSA-N 1 0 465.303 4.342 20 0 JIADRO Cc1sc2ncnc(Sc3ccccc3C(=O)NCCN(C)CCC[NH+](C)C)c2c1C ZINC001300612764 1069221832 /nfs/dbraw/zinc/22/18/32/1069221832.db2.gz GIDVVPUAJAFOHY-UHFFFAOYSA-N 1 0 457.669 4.073 20 0 JIADRO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571372 1069222081 /nfs/dbraw/zinc/22/20/81/1069222081.db2.gz IEXGVCSDSHZVOL-UPVQGACJSA-N 1 0 495.668 4.326 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849574469 1069224299 /nfs/dbraw/zinc/22/42/99/1069224299.db2.gz WQOVOISBCRNTLA-UXHICEINSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849573227 1069224453 /nfs/dbraw/zinc/22/44/53/1069224453.db2.gz QCCZQEMBJLMLNG-OTWHNJEPSA-N 1 0 474.474 4.255 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849574468 1069224539 /nfs/dbraw/zinc/22/45/39/1069224539.db2.gz WQOVOISBCRNTLA-PMACEKPBSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@@H](c2cnn(C)c2)C1 ZINC000849575427 1069226578 /nfs/dbraw/zinc/22/65/78/1069226578.db2.gz DARQMJMZNHKQJN-LEWJYISDSA-N 1 0 467.614 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849574942 1069227809 /nfs/dbraw/zinc/22/78/09/1069227809.db2.gz YLULSZGIJSOPAE-RCCFBDPRSA-N 1 0 465.461 4.422 20 0 JIADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849574814 1069228248 /nfs/dbraw/zinc/22/82/48/1069228248.db2.gz AFTQRTYGVWIDEK-VSKRKVRLSA-N 1 0 475.475 4.476 20 0 JIADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849574816 1069228452 /nfs/dbraw/zinc/22/84/52/1069228452.db2.gz AFTQRTYGVWIDEK-YPAWHYETSA-N 1 0 475.475 4.476 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849578242 1069229098 /nfs/dbraw/zinc/22/90/98/1069229098.db2.gz LAWBMVJIFLUMAP-ROUUACIJSA-N 1 0 479.850 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577647 1069230055 /nfs/dbraw/zinc/23/00/55/1069230055.db2.gz IPYXSSLGYSXRHJ-PKTZIBPZSA-N 1 0 471.443 4.312 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849579939 1069231117 /nfs/dbraw/zinc/23/11/17/1069231117.db2.gz SXMOFCYNBVMHFA-ACIOBRDBSA-N 1 0 477.678 4.279 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849580621 1069232419 /nfs/dbraw/zinc/23/24/19/1069232419.db2.gz CDMJTLPFIOROHK-BXWFABGCSA-N 1 0 460.903 4.446 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849584157 1069234472 /nfs/dbraw/zinc/23/44/72/1069234472.db2.gz XKVMULRZYCDBSH-PMACEKPBSA-N 1 0 452.521 4.184 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849583931 1069234889 /nfs/dbraw/zinc/23/48/89/1069234889.db2.gz VJECJCQSHJJOGN-WOJBJXKFSA-N 1 0 471.443 4.465 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849584731 1069235512 /nfs/dbraw/zinc/23/55/12/1069235512.db2.gz ZONNGZHZERZWOT-AHRSYUTCSA-N 1 0 467.441 4.467 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586149 1069236376 /nfs/dbraw/zinc/23/63/76/1069236376.db2.gz GIYCEDOVTRBFGR-GOTSBHOMSA-N 1 0 473.459 4.403 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849585764 1069237311 /nfs/dbraw/zinc/23/73/11/1069237311.db2.gz AZDNBEJRTVERBM-GMAHTHKFSA-N 1 0 460.626 4.411 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001354467589 1069242150 /nfs/dbraw/zinc/24/21/50/1069242150.db2.gz JNCBFNISBSTNKA-FQEVSTJZSA-N 1 0 457.937 4.302 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849592229 1069243576 /nfs/dbraw/zinc/24/35/76/1069243576.db2.gz NVCUPKGLWVHHER-RBZQAINGSA-N 1 0 459.034 4.172 20 0 JIADRO CCOc1cc(Br)c(F)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594310 1069245429 /nfs/dbraw/zinc/24/54/29/1069245429.db2.gz GFYQPLWYEAHPLI-CVEARBPZSA-N 1 0 467.383 4.173 20 0 JIADRO COC1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595215 1069247192 /nfs/dbraw/zinc/24/71/92/1069247192.db2.gz WQTOCMRXSHKEQH-KWNRWNTKSA-N 1 0 452.643 4.093 20 0 JIADRO COCC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000849594870 1069247783 /nfs/dbraw/zinc/24/77/83/1069247783.db2.gz YVKQQQQSARFOEA-IPJJNNNSSA-N 1 0 467.441 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849595699 1069250915 /nfs/dbraw/zinc/25/09/15/1069250915.db2.gz IRBJELHEIRENDY-JQFCIGGWSA-N 1 0 457.928 4.179 20 0 JIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849597517 1069251941 /nfs/dbraw/zinc/25/19/41/1069251941.db2.gz TXXFKBOKYYERER-VJGNERBWSA-N 1 0 460.622 4.343 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849598022 1069254548 /nfs/dbraw/zinc/25/45/48/1069254548.db2.gz WWZYYRGOQJYTNM-IZZNHLLZSA-N 1 0 485.632 4.005 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602355 1069258042 /nfs/dbraw/zinc/25/80/42/1069258042.db2.gz MSAPIYHFWDNVDX-LEWJYISDSA-N 1 0 460.607 4.067 20 0 JIADRO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603152 1069259723 /nfs/dbraw/zinc/25/97/23/1069259723.db2.gz CKRGNSZZARXBBL-VXKWHMMOSA-N 1 0 450.549 4.344 20 0 JIADRO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603153 1069259962 /nfs/dbraw/zinc/25/99/62/1069259962.db2.gz CKRGNSZZARXBBL-YADHBBJMSA-N 1 0 450.549 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607366 1069263523 /nfs/dbraw/zinc/26/35/23/1069263523.db2.gz VCNGJDVAOUKPDE-IZZNHLLZSA-N 1 0 464.585 4.269 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849608057 1069264324 /nfs/dbraw/zinc/26/43/24/1069264324.db2.gz MZKBQKIFPDFNLO-SGNDLWITSA-N 1 0 495.668 4.107 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849609535 1069265231 /nfs/dbraw/zinc/26/52/31/1069265231.db2.gz CJKFHJMHMXZGGB-SJLPKXTDSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607633 1069265675 /nfs/dbraw/zinc/26/56/75/1069265675.db2.gz XJUVHCOGNDBRMX-WOJBJXKFSA-N 1 0 454.962 4.108 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000849610500 1069266428 /nfs/dbraw/zinc/26/64/28/1069266428.db2.gz JSRQLYAPNFZGGD-WPYKKVEZSA-N 1 0 455.027 4.345 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849610544 1069266776 /nfs/dbraw/zinc/26/67/76/1069266776.db2.gz KOMMQCDGGDBALJ-DLBZAZTESA-N 1 0 456.475 4.404 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2ccoc2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001300628210 1069267320 /nfs/dbraw/zinc/26/73/20/1069267320.db2.gz UNHMGZWFYPJCGT-UHFFFAOYSA-N 1 0 485.654 4.231 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CSCc3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849611086 1069269437 /nfs/dbraw/zinc/26/94/37/1069269437.db2.gz SYIJIVNYPDAUGF-CEWLAPEOSA-N 1 0 477.472 4.101 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849610947 1069270725 /nfs/dbraw/zinc/27/07/25/1069270725.db2.gz QSBZVPCTHUWJAH-YTFSRNRJSA-N 1 0 459.034 4.266 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611574 1069272700 /nfs/dbraw/zinc/27/27/00/1069272700.db2.gz CPACHQZSULSDSP-SJORKVTESA-N 1 0 480.922 4.167 20 0 JIADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001354513117 1069282810 /nfs/dbraw/zinc/28/28/10/1069282810.db2.gz AGEQNEHYRRCIQO-CKUXNOBLSA-N 1 0 457.977 4.294 20 0 JIADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3C(F)(F)F)c2)CC2(CC[NH2+]CC2)N1 ZINC001164392289 718809965 /nfs/dbraw/zinc/80/99/65/718809965.db2.gz JPTWJLLIXHNFNN-UHFFFAOYSA-N 1 0 474.861 4.024 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164428026 718952115 /nfs/dbraw/zinc/95/21/15/718952115.db2.gz HTAANTJSZSGRBQ-RCZVLFRGSA-N 1 0 477.653 4.118 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164428031 718952150 /nfs/dbraw/zinc/95/21/50/718952150.db2.gz HTAANTJSZSGRBQ-WIOPSUGQSA-N 1 0 477.653 4.118 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164614104 719010510 /nfs/dbraw/zinc/01/05/10/719010510.db2.gz CGTKUUHLSAQCJP-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164614537 719011214 /nfs/dbraw/zinc/01/12/14/719011214.db2.gz FVXHKHDYOHSJHS-RDPSFJRHSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC2)CC1 ZINC001164613748 719021921 /nfs/dbraw/zinc/02/19/21/719021921.db2.gz BRRDZSHSYZULLY-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC2)CC1 ZINC001164617919 719032053 /nfs/dbraw/zinc/03/20/53/719032053.db2.gz PDKJUMVFHXGOPB-UHFFFAOYSA-N 1 0 471.001 4.231 20 0 JIADRO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1OC ZINC001164628017 719106158 /nfs/dbraw/zinc/10/61/58/719106158.db2.gz LVCMJQTWHGGTTE-NFBKMPQASA-N 1 0 460.578 4.270 20 0 JIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccc(Cl)cc3)C[C@@H]2CF)CC1 ZINC001164624612 719119458 /nfs/dbraw/zinc/11/94/58/719119458.db2.gz VABMRVLXMVWJBO-BBRMVZONSA-N 1 0 489.325 4.199 20 0 JIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001164621060 719120526 /nfs/dbraw/zinc/12/05/26/719120526.db2.gz KHVNGFMGJBFRHI-WMLDXEAASA-N 1 0 453.892 4.247 20 0 JIADRO C[NH+]1CCN(c2ccc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)nn2)CC1 ZINC001164620598 719129536 /nfs/dbraw/zinc/12/95/36/719129536.db2.gz IUARYVGCTSXNSH-SANMLTNESA-N 1 0 479.028 4.052 20 0 JIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679986 719654421 /nfs/dbraw/zinc/65/44/21/719654421.db2.gz BSOZILGQVCEAOS-UHFFFAOYSA-N 1 0 464.923 4.216 20 0 JIADRO Cc1nc2ccsc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680198 719655616 /nfs/dbraw/zinc/65/56/16/719655616.db2.gz DAGVASHHYMLEGO-LJQANCHMSA-N 1 0 463.651 4.093 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)cc(Cl)n3)CC2)c2ccccc21 ZINC001164682670 719656735 /nfs/dbraw/zinc/65/67/35/719656735.db2.gz SUBNGFNMZGQNGU-KRWDZBQOSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)cc3Cl)CC2)c2ccccc21 ZINC001164680711 719657226 /nfs/dbraw/zinc/65/72/26/719657226.db2.gz IAHAUAMQEDTZCY-KRWDZBQOSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc(C4CC4)n3)CC2)c2ccccc21 ZINC001164684009 719659720 /nfs/dbraw/zinc/65/97/20/719659720.db2.gz VYSYOCAOGFPIKX-LJQANCHMSA-N 1 0 468.045 4.101 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c(Cl)cccc43)CC2)c2ccccc21 ZINC001164684496 719661252 /nfs/dbraw/zinc/66/12/52/719661252.db2.gz XQBDXPUELRCAGG-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO Cc1ccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164682927 719662939 /nfs/dbraw/zinc/66/29/39/719662939.db2.gz UBAJSFNMQTYIBB-NRFANRHFSA-N 1 0 457.622 4.032 20 0 JIADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681158 719669937 /nfs/dbraw/zinc/66/99/37/719669937.db2.gz KIWLGWUYTSYXES-LJQANCHMSA-N 1 0 499.055 4.005 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164680328 719670105 /nfs/dbraw/zinc/67/01/05/719670105.db2.gz CTNZDISJRVSRRA-NRFANRHFSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4ccc(F)cc4cn3)CC2)c2ccccc21 ZINC001164681036 719678393 /nfs/dbraw/zinc/67/83/93/719678393.db2.gz IWOFSRCXTDTRIT-NRFANRHFSA-N 1 0 460.597 4.467 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c2ccccc21 ZINC001164682922 719678459 /nfs/dbraw/zinc/67/84/59/719678459.db2.gz QCZSPQHWYKHLEL-QFIPXVFZSA-N 1 0 487.623 4.376 20 0 JIADRO CC(C)Sc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680302 719679209 /nfs/dbraw/zinc/67/92/09/719679209.db2.gz CRFBZYJEMAEKOG-FQEVSTJZSA-N 1 0 467.683 4.071 20 0 JIADRO CCc1nc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164680881 719679250 /nfs/dbraw/zinc/67/92/50/719679250.db2.gz IINGVIGFVSCAGI-QGZVFWFLSA-N 1 0 490.479 4.439 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1 ZINC001164691337 719779925 /nfs/dbraw/zinc/77/99/25/719779925.db2.gz NJWYZEVHKBUTLD-HSZRJFAPSA-N 1 0 498.693 4.318 20 0 JIADRO CCOC(=O)c1cc2c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH]c(C)c(C)c-2n1 ZINC001164698262 719894064 /nfs/dbraw/zinc/89/40/64/719894064.db2.gz QMZPGAUHWVAWPP-UHFFFAOYSA-N 1 0 468.623 4.289 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1)C1CC1 ZINC001164697732 719897545 /nfs/dbraw/zinc/89/75/45/719897545.db2.gz OVTJCYQHPSSXFH-JOCHJYFZSA-N 1 0 455.624 4.071 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164712080 720101385 /nfs/dbraw/zinc/10/13/85/720101385.db2.gz VERNIUIQGFNDPO-NRFANRHFSA-N 1 0 465.001 4.095 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164710044 720104965 /nfs/dbraw/zinc/10/49/65/720104965.db2.gz GEERUNSCNMZKLX-HSZRJFAPSA-N 1 0 498.071 4.264 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164715534 720114572 /nfs/dbraw/zinc/11/45/72/720114572.db2.gz HMLLIRTWMOWYQH-GOSISDBHSA-N 1 0 455.653 4.316 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164718070 720116292 /nfs/dbraw/zinc/11/62/92/720116292.db2.gz RJWNGRVEOMICEY-IBGZPJMESA-N 1 0 466.960 4.105 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164717315 720122043 /nfs/dbraw/zinc/12/20/43/720122043.db2.gz NCNLUDZRGZICQE-LJQANCHMSA-N 1 0 450.961 4.491 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164712272 720138695 /nfs/dbraw/zinc/13/86/95/720138695.db2.gz MHFNPWLQBDHFKI-JOCHJYFZSA-N 1 0 467.614 4.331 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819870 720182182 /nfs/dbraw/zinc/18/21/82/720182182.db2.gz YUZHTGSTODWRFR-RBISFHTESA-N 1 0 458.606 4.490 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812836 720196934 /nfs/dbraw/zinc/19/69/34/720196934.db2.gz MMIQGBAUENNHRB-FIPFOOKPSA-N 1 0 458.606 4.394 20 0 JIADRO Cc1sc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1-c1ccccc1 ZINC001164715792 720197394 /nfs/dbraw/zinc/19/73/94/720197394.db2.gz NFOTUXYPRIXALN-NRFANRHFSA-N 1 0 489.649 4.011 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814193 720199215 /nfs/dbraw/zinc/19/92/15/720199215.db2.gz UDYIKVYIGAZNAN-KOSHJBKYSA-N 1 0 458.990 4.116 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCC2 ZINC001164812876 720216481 /nfs/dbraw/zinc/21/64/81/720216481.db2.gz MRUSMZIPYYUHSZ-UHFFFAOYSA-N 1 0 497.377 4.289 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001164823925 720304121 /nfs/dbraw/zinc/30/41/21/720304121.db2.gz QRYNAHJTJJBUSW-RBUKOAKNSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001164819981 720315027 /nfs/dbraw/zinc/31/50/27/720315027.db2.gz FUCVWLZRKQSXKB-JWQCQUIFSA-N 1 0 482.632 4.117 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001164831949 720321573 /nfs/dbraw/zinc/32/15/73/720321573.db2.gz SJGFFFWHPMCEGZ-RBUKOAKNSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164828476 720329032 /nfs/dbraw/zinc/32/90/32/720329032.db2.gz JTDPLERWVJMFCY-SFTDATJTSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164831985 720330079 /nfs/dbraw/zinc/33/00/79/720330079.db2.gz SPJRDEHKAKMHEV-RTWAWAEBSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164825422 720336031 /nfs/dbraw/zinc/33/60/31/720336031.db2.gz DUMGIHVELNMFFN-RRPNLBNLSA-N 1 0 469.633 4.132 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831264 720345501 /nfs/dbraw/zinc/34/55/01/720345501.db2.gz YQYWPEQQSHXLQS-FTJBHMTQSA-N 1 0 485.632 4.217 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001164828331 720348017 /nfs/dbraw/zinc/34/80/17/720348017.db2.gz OGSFWVDPUKGQJB-SVBPBHIXSA-N 1 0 488.680 4.045 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164822325 720349602 /nfs/dbraw/zinc/34/96/02/720349602.db2.gz DHNFNSNPGYAPQP-RBUKOAKNSA-N 1 0 463.960 4.132 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164826690 720352954 /nfs/dbraw/zinc/35/29/54/720352954.db2.gz KTBQGBDKUGFHJH-YADHBBJMSA-N 1 0 484.044 4.396 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833667 720513399 /nfs/dbraw/zinc/51/33/99/720513399.db2.gz DMAIRODKZPGGGR-FUHIMQAGSA-N 1 0 460.960 4.402 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC[C@@H]21 ZINC001164834860 720521045 /nfs/dbraw/zinc/52/10/45/720521045.db2.gz HRNSEMHLHDQNSQ-VYDXJSESSA-N 1 0 466.989 4.464 20 0 JIADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838998 720537284 /nfs/dbraw/zinc/53/72/84/720537284.db2.gz PMAHWZFSGUYHDV-BBTUJRGHSA-N 1 0 483.016 4.034 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837359 720568710 /nfs/dbraw/zinc/56/87/10/720568710.db2.gz LZTDFDAITLSWSE-IMFGXOCKSA-N 1 0 471.968 4.031 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164736275 720581562 /nfs/dbraw/zinc/58/15/62/720581562.db2.gz GICLCBLFKOIBPB-UHFFFAOYSA-N 1 0 459.623 4.225 20 0 JIADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164842714 720600651 /nfs/dbraw/zinc/60/06/51/720600651.db2.gz VFYNZXLDRZPIHN-SLFFLAALSA-N 1 0 482.654 4.059 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164842771 720660631 /nfs/dbraw/zinc/66/06/31/720660631.db2.gz UEXDMMMLHKQWID-JOCHJYFZSA-N 1 0 499.615 4.319 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837590 720661742 /nfs/dbraw/zinc/66/17/42/720661742.db2.gz DGBFBCMIEDZNDU-FQEVSTJZSA-N 1 0 458.002 4.480 20 0 JIADRO Cc1cc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(N3CCOCC3)c2s1 ZINC001164843281 720700094 /nfs/dbraw/zinc/70/00/94/720700094.db2.gz NFMROKANSGXSTI-QFIPXVFZSA-N 1 0 493.677 4.096 20 0 JIADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840884 720705369 /nfs/dbraw/zinc/70/53/69/720705369.db2.gz RKOJPOACCYTECU-NRFANRHFSA-N 1 0 494.636 4.113 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840936 720708593 /nfs/dbraw/zinc/70/85/93/720708593.db2.gz SSINWKBZQWEBHU-LJQANCHMSA-N 1 0 479.955 4.326 20 0 JIADRO CC1CCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2)CC1 ZINC001164836469 720711413 /nfs/dbraw/zinc/71/14/13/720711413.db2.gz BCGGBWNQDDCISM-RUZDIDTESA-N 1 0 462.638 4.214 20 0 JIADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744283 720718447 /nfs/dbraw/zinc/71/84/47/720718447.db2.gz ZBJSZYOQGAOLQF-PMACEKPBSA-N 1 0 458.953 4.082 20 0 JIADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737850 720719765 /nfs/dbraw/zinc/71/97/65/720719765.db2.gz HJQDFGCKKAAMAV-VQTJNVASSA-N 1 0 476.943 4.221 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164836848 720729397 /nfs/dbraw/zinc/72/93/97/720729397.db2.gz GHMKTZQUPYVKFP-SFHVURJKSA-N 1 0 452.649 4.190 20 0 JIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844877 720741754 /nfs/dbraw/zinc/74/17/54/720741754.db2.gz UVGINDSBUDVUFJ-UHFFFAOYSA-N 1 0 465.335 4.291 20 0 JIADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844384 720742598 /nfs/dbraw/zinc/74/25/98/720742598.db2.gz QXTWWHOTACCLNR-UHFFFAOYSA-N 1 0 497.937 4.065 20 0 JIADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842960 720743943 /nfs/dbraw/zinc/74/39/43/720743943.db2.gz GQPKPOUNGUILSQ-UHFFFAOYSA-N 1 0 470.955 4.126 20 0 JIADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744208 720758889 /nfs/dbraw/zinc/75/88/89/720758889.db2.gz RMOKTJAHDPAZRS-VQTJNVASSA-N 1 0 458.953 4.082 20 0 JIADRO O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccccc1 ZINC001164847457 720769329 /nfs/dbraw/zinc/76/93/29/720769329.db2.gz MKQNZMUMXNVWHN-SFTDATJTSA-N 1 0 458.940 4.431 20 0 JIADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164749309 720845594 /nfs/dbraw/zinc/84/55/94/720845594.db2.gz VPUKJXHRITWMSQ-UNWVZKJWSA-N 1 0 489.624 4.468 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCCCC3 ZINC001164747525 720847903 /nfs/dbraw/zinc/84/79/03/720847903.db2.gz RECMZUYPAJVMEP-JAXLGGSGSA-N 1 0 477.682 4.240 20 0 JIADRO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748123 720853222 /nfs/dbraw/zinc/85/32/22/720853222.db2.gz KHOJXJCFKFNCLA-WAOWUJCRSA-N 1 0 496.084 4.318 20 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JIADRO CSc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCC2 ZINC001164753318 720887655 /nfs/dbraw/zinc/88/76/55/720887655.db2.gz GLBPSFNLTTZZOY-AMGIVPHBSA-N 1 0 479.694 4.227 20 0 JIADRO CCc1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755411 720888445 /nfs/dbraw/zinc/88/84/45/720888445.db2.gz LYLWPHDRHSVMSF-HFZDXXHNSA-N 1 0 463.651 4.404 20 0 JIADRO c1ccc(COc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164751810 720889037 /nfs/dbraw/zinc/88/90/37/720889037.db2.gz DTKMUWXCYXQVBZ-UHSQPCAPSA-N 1 0 485.632 4.206 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164750968 720893953 /nfs/dbraw/zinc/89/39/53/720893953.db2.gz CITOTXZXTSATBB-ZBLYBZFDSA-N 1 0 494.039 4.442 20 0 JIADRO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750729 720894418 /nfs/dbraw/zinc/89/44/18/720894418.db2.gz BSJXASRWAKUSID-BWKNWUBXSA-N 1 0 457.018 4.284 20 0 JIADRO c1ccc(COc2cnnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164758470 720895007 /nfs/dbraw/zinc/89/50/07/720895007.db2.gz YISHVVZCINPZGW-WNJJXGMVSA-N 1 0 485.632 4.206 20 0 JIADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752531 720895169 /nfs/dbraw/zinc/89/51/69/720895169.db2.gz DXJTVKGHKDVNSA-CVDCTZTESA-N 1 0 477.987 4.012 20 0 JIADRO COc1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750940 720900543 /nfs/dbraw/zinc/90/05/43/720900543.db2.gz CGTJOKQKGIKQOR-YWEHKCAJSA-N 1 0 458.606 4.394 20 0 JIADRO c1ccc2c(c1)CCc1cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc1-2 ZINC001164754395 720902664 /nfs/dbraw/zinc/90/26/64/720902664.db2.gz ITZZEKQSYKIDNI-FREGXXQWSA-N 1 0 481.644 4.392 20 0 JIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750032 720908574 /nfs/dbraw/zinc/90/85/74/720908574.db2.gz IUWFYEWTFAFXHT-IAPPQJPRSA-N 1 0 455.606 4.294 20 0 JIADRO COc1ccccc1-c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753139 720916116 /nfs/dbraw/zinc/91/61/16/720916116.db2.gz QJLXPHTWODAORC-FUFSCUOVSA-N 1 0 485.632 4.302 20 0 JIADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753623 720917025 /nfs/dbraw/zinc/91/70/25/720917025.db2.gz RPWUEEREVIYCEU-NVQXNPDNSA-N 1 0 468.045 4.466 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164755052 720922335 /nfs/dbraw/zinc/92/23/35/720922335.db2.gz XZIFKGKOUDXVLH-WNJJXGMVSA-N 1 0 484.648 4.306 20 0 JIADRO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164752300 720924957 /nfs/dbraw/zinc/92/49/57/720924957.db2.gz NVQSWABWSHVTEN-BTYSJIOQSA-N 1 0 486.616 4.172 20 0 JIADRO CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747837 720930711 /nfs/dbraw/zinc/93/07/11/720930711.db2.gz DMXRNRHPUALKKI-BWKNWUBXSA-N 1 0 456.034 4.404 20 0 JIADRO Cc1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1C ZINC001164752888 720930770 /nfs/dbraw/zinc/93/07/70/720930770.db2.gz PFRIDRXZUFFYME-UFHPHHKVSA-N 1 0 457.622 4.397 20 0 JIADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754695 720935413 /nfs/dbraw/zinc/93/54/13/720935413.db2.gz XLSWNUHPSVTLCQ-GJZUVCINSA-N 1 0 479.625 4.494 20 0 JIADRO COc1cc(C)c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755071 720940202 /nfs/dbraw/zinc/94/02/02/720940202.db2.gz YDHKPHZTNMNZRX-LXFBAYGMSA-N 1 0 473.621 4.097 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)[C@H]2C ZINC001164862755 720978503 /nfs/dbraw/zinc/97/85/03/720978503.db2.gz UHMLQJVHCDHKCH-HNNXBMFYSA-N 1 0 491.036 4.484 20 0 JIADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866101 721063716 /nfs/dbraw/zinc/06/37/16/721063716.db2.gz CTYMLQHEPIJAEX-DLBZAZTESA-N 1 0 480.346 4.356 20 0 JIADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868170 721067653 /nfs/dbraw/zinc/06/76/53/721067653.db2.gz NKMMXBYWTVGCTL-SFTDATJTSA-N 1 0 473.527 4.450 20 0 JIADRO COc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164876473 721140652 /nfs/dbraw/zinc/14/06/52/721140652.db2.gz MRRZKYINERFEED-RBBKRZOGSA-N 1 0 473.602 4.242 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C[C@H]3C2)cn1 ZINC001164760096 721233781 /nfs/dbraw/zinc/23/37/81/721233781.db2.gz CEVUOKKJABVTTD-IAGOWNOFSA-N 1 0 461.372 4.281 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001164759741 721237998 /nfs/dbraw/zinc/23/79/98/721237998.db2.gz BFICLCGBBGXGCH-IRXDYDNUSA-N 1 0 459.381 4.268 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001164761956 721238533 /nfs/dbraw/zinc/23/85/33/721238533.db2.gz KWKXDTDLEDJHTG-IRXDYDNUSA-N 1 0 459.381 4.268 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001164766256 721239178 /nfs/dbraw/zinc/23/91/78/721239178.db2.gz UFMGPZHBVKJKBJ-IAGOWNOFSA-N 1 0 459.381 4.268 20 0 JIADRO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164879185 721295743 /nfs/dbraw/zinc/29/57/43/721295743.db2.gz WKRCGCOTTLLMJQ-JYFHCDHNSA-N 1 0 488.657 4.069 20 0 JIADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@H]54)ccc3C2)cc1 ZINC001164881024 721312145 /nfs/dbraw/zinc/31/21/45/721312145.db2.gz UCDJXNZOAKNYBN-DNRSQYFGSA-N 1 0 456.590 4.098 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(F)cccc43)C2)C1 ZINC001164779256 721347204 /nfs/dbraw/zinc/34/72/04/721347204.db2.gz RWNDGAGSTBQUGL-QHCPKHFHSA-N 1 0 459.953 4.146 20 0 JIADRO O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1c1ccsc1 ZINC001164881649 721360789 /nfs/dbraw/zinc/36/07/89/721360789.db2.gz FSUXMOMVBQYRBJ-ROUUACIJSA-N 1 0 450.942 4.102 20 0 JIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccsc4)n3)C2)C1 ZINC001164784256 721369988 /nfs/dbraw/zinc/36/99/88/721369988.db2.gz RAQPLQCTKNQXJK-XMMPIXPASA-N 1 0 453.612 4.237 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894890 721428489 /nfs/dbraw/zinc/42/84/89/721428489.db2.gz MZRGFCJQTSIDEZ-ATIYNZHBSA-N 1 0 471.045 4.079 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894895 721428638 /nfs/dbraw/zinc/42/86/38/721428638.db2.gz MZRGFCJQTSIDEZ-NVQXNPDNSA-N 1 0 471.045 4.079 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O4)n1)CCCCC3 ZINC001164891598 721435900 /nfs/dbraw/zinc/43/59/00/721435900.db2.gz HHHHFICLXLOFGH-RXFWQSSRSA-N 1 0 469.699 4.034 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897697 721441103 /nfs/dbraw/zinc/44/11/03/721441103.db2.gz ULFGWRAGAHQOGV-NEKDWFFYSA-N 1 0 457.622 4.062 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898794 721442067 /nfs/dbraw/zinc/44/20/67/721442067.db2.gz XHFAUPOCWRZORY-NFBKMPQASA-N 1 0 464.988 4.199 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C3)O2)CC1 ZINC001164895768 721443713 /nfs/dbraw/zinc/44/37/13/721443713.db2.gz PHXLHWQZEFCRNH-QPPBQGQZSA-N 1 0 492.014 4.107 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889852 721450446 /nfs/dbraw/zinc/45/04/46/721450446.db2.gz PNXOTGDZLSSPQJ-HYBUGGRVSA-N 1 0 492.451 4.341 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164790585 721454640 /nfs/dbraw/zinc/45/46/40/721454640.db2.gz ZVWGNKIBDSRODC-KRWDZBQOSA-N 1 0 451.036 4.079 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164788594 721460468 /nfs/dbraw/zinc/46/04/68/721460468.db2.gz ULYATERPZDRVQR-RUZDIDTESA-N 1 0 478.637 4.068 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164782394 721461765 /nfs/dbraw/zinc/46/17/65/721461765.db2.gz AOWYQZXDPMCDSM-IBGZPJMESA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164784815 721462366 /nfs/dbraw/zinc/46/23/66/721462366.db2.gz KKXCEEWNJKQXCF-JOCHJYFZSA-N 1 0 453.627 4.286 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164788824 721467419 /nfs/dbraw/zinc/46/74/19/721467419.db2.gz LOWZIKYPKJOYFE-HSZRJFAPSA-N 1 0 452.643 4.487 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164789886 721468653 /nfs/dbraw/zinc/46/86/53/721468653.db2.gz OYMHAAJFRFMCAU-AREMUKBSSA-N 1 0 493.648 4.173 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787990 721469600 /nfs/dbraw/zinc/46/96/00/721469600.db2.gz HKMVNZCTTOYQRA-DEOSSOPVSA-N 1 0 480.653 4.276 20 0 JIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164792316 721497102 /nfs/dbraw/zinc/49/71/02/721497102.db2.gz OEKQIQZJXFLUGL-UHFFFAOYSA-N 1 0 458.944 4.499 20 0 JIADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)CC3)CC1 ZINC001164794379 721522792 /nfs/dbraw/zinc/52/27/92/721522792.db2.gz CLWFISNUTLDUJR-UHFFFAOYSA-N 1 0 479.019 4.292 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164900302 721523791 /nfs/dbraw/zinc/52/37/91/721523791.db2.gz PYDFQUVJIQEOHC-PZJWPPBQSA-N 1 0 478.959 4.009 20 0 JIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@@H+]3C2)c1 ZINC001164905928 721552011 /nfs/dbraw/zinc/55/20/11/721552011.db2.gz IBHWMZNMIPQUJF-PKOBYXMFSA-N 1 0 475.902 4.218 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164802594 721577685 /nfs/dbraw/zinc/57/76/85/721577685.db2.gz GZRYSVJUZVMZCM-CMTIAEDTSA-N 1 0 482.632 4.360 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164811871 721584951 /nfs/dbraw/zinc/58/49/51/721584951.db2.gz YTVGEGJJJQTEBQ-MIZPHKNDSA-N 1 0 474.590 4.123 20 0 JIADRO FC1(F)CCN(c2nnc(Cl)cc2-c2ccncc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903666 721587008 /nfs/dbraw/zinc/58/70/08/721587008.db2.gz BGFZWYMDKMBMQI-JOCHJYFZSA-N 1 0 456.928 4.325 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164810792 721588916 /nfs/dbraw/zinc/58/89/16/721588916.db2.gz WEWFUKKYASYGAN-FCEKVYKBSA-N 1 0 481.600 4.472 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810148 721592184 /nfs/dbraw/zinc/59/21/84/721592184.db2.gz UPNRCTGWYNKRPY-ZRCGQRJVSA-N 1 0 456.949 4.299 20 0 JIADRO CC(C)NC(=O)C[C@H]1CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)Oc2ccccc21 ZINC001164804283 721593524 /nfs/dbraw/zinc/59/35/24/721593524.db2.gz YEYXUDQXIUBCLK-QFIPXVFZSA-N 1 0 462.638 4.496 20 0 JIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905629 721710017 /nfs/dbraw/zinc/71/00/17/721710017.db2.gz ICJGPCJFIJHHEV-FQEVSTJZSA-N 1 0 486.350 4.093 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906637 721720521 /nfs/dbraw/zinc/72/05/21/721720521.db2.gz NLOJOODNSVLIOM-FQEVSTJZSA-N 1 0 486.897 4.199 20 0 JIADRO CC(C)(C)OC(=O)Nc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2[nH]cnc21 ZINC001164906227 721721229 /nfs/dbraw/zinc/72/12/29/721721229.db2.gz LFCDNYORICTKJT-XMMPIXPASA-N 1 0 499.566 4.438 20 0 JIADRO CC(C)(C)OC(=O)Nc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2[nH]cnc21 ZINC001164906226 721722112 /nfs/dbraw/zinc/72/21/12/721722112.db2.gz LFCDNYORICTKJT-DEOSSOPVSA-N 1 0 499.566 4.438 20 0 JIADRO COC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912617 721727256 /nfs/dbraw/zinc/72/72/56/721727256.db2.gz OWPWQRAKBRJPSD-XMMPIXPASA-N 1 0 452.505 4.154 20 0 JIADRO NC(=S)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2sccc21 ZINC001164909763 721738293 /nfs/dbraw/zinc/73/82/93/721738293.db2.gz DJRPLRCMYCSISF-OAQYLSRUSA-N 1 0 459.591 4.063 20 0 JIADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027211 721799715 /nfs/dbraw/zinc/79/97/15/721799715.db2.gz UIHNRCUBNQOJSD-BVSLBCMMSA-N 1 0 484.604 4.191 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165017890 721807755 /nfs/dbraw/zinc/80/77/55/721807755.db2.gz BBWFOAIMCGNOEE-BEVDRBHNSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024906 721809256 /nfs/dbraw/zinc/80/92/56/721809256.db2.gz LBVUPJWJFIZHRC-CVAIRZPRSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024908 721809336 /nfs/dbraw/zinc/80/93/36/721809336.db2.gz LBVUPJWJFIZHRC-QSFXBCCZSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020723 721810630 /nfs/dbraw/zinc/81/06/30/721810630.db2.gz CTJFCENGZLWNDT-IEZWGBDMSA-N 1 0 464.944 4.198 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164916261 721811686 /nfs/dbraw/zinc/81/16/86/721811686.db2.gz GFPJQIFGCZPAHU-OZOXKJRCSA-N 1 0 497.011 4.314 20 0 JIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164916256 721811846 /nfs/dbraw/zinc/81/18/46/721811846.db2.gz GFPJQIFGCZPAHU-LKUPVBHCSA-N 1 0 497.011 4.314 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027376 721811953 /nfs/dbraw/zinc/81/19/53/721811953.db2.gz UKYWKWBHJOAJDZ-SZMVWBNQSA-N 1 0 476.046 4.161 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)C[C@H]21 ZINC001165018756 721816553 /nfs/dbraw/zinc/81/65/53/721816553.db2.gz AABYGBDWEZWXPN-BPUDTRNYSA-N 1 0 471.584 4.146 20 0 JIADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026140 721821163 /nfs/dbraw/zinc/82/11/63/721821163.db2.gz OFWCUYJWTFSIRI-CVAIRZPRSA-N 1 0 464.944 4.198 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCC[C@@H]([N@H+](C)Cc6ccccn6)[C@@H]5C4)ccc-3c2=O)cc1 ZINC001165025782 721822133 /nfs/dbraw/zinc/82/21/33/721822133.db2.gz NYYULBBSWZLJRN-QBMXVRPASA-N 1 0 497.643 4.378 20 0 JIADRO COCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(-c2ccccc2)n1 ZINC001165019321 721838751 /nfs/dbraw/zinc/83/87/51/721838751.db2.gz DAUSSXKOHWSACI-UHFFFAOYSA-N 1 0 462.594 4.408 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922817 721846456 /nfs/dbraw/zinc/84/64/56/721846456.db2.gz RJWRMJROHYJGOE-JYFHCDHNSA-N 1 0 468.621 4.071 20 0 JIADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164927414 721868324 /nfs/dbraw/zinc/86/83/24/721868324.db2.gz VEQUWFALXLWKLH-GOTSBHOMSA-N 1 0 452.002 4.173 20 0 JIADRO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164938792 721920408 /nfs/dbraw/zinc/92/04/08/721920408.db2.gz RHPPIDPGDNRWPA-UHFFFAOYSA-N 1 0 480.634 4.356 20 0 JIADRO COCc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(-c2ccccc2)n1 ZINC001164938137 721920827 /nfs/dbraw/zinc/92/08/27/721920827.db2.gz IPBPKEFSWPSTIK-UHFFFAOYSA-N 1 0 458.606 4.470 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC3)C2)cc1 ZINC001164940592 721928396 /nfs/dbraw/zinc/92/83/96/721928396.db2.gz UPCAPWNDJPMAHV-UHFFFAOYSA-N 1 0 473.955 4.403 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccc(C)nn3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964612 722025553 /nfs/dbraw/zinc/02/55/53/722025553.db2.gz WYUDUTGZRQPALA-IBVKSMDESA-N 1 0 493.681 4.052 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2c1C ZINC001164958048 722051432 /nfs/dbraw/zinc/05/14/32/722051432.db2.gz BCVRDDBIXMCMMF-DCLXLUIPSA-N 1 0 478.666 4.204 20 0 JIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959453 722052976 /nfs/dbraw/zinc/05/29/76/722052976.db2.gz JVDAFGBSOLGUQA-UHFFFAOYSA-N 1 0 457.352 4.447 20 0 JIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc12 ZINC001164960514 722054017 /nfs/dbraw/zinc/05/40/17/722054017.db2.gz QTXMVJUUPNNIGH-UHFFFAOYSA-N 1 0 491.945 4.481 20 0 JIADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963123 722057333 /nfs/dbraw/zinc/05/73/33/722057333.db2.gz HJIPJQIQWSHORE-UHFFFAOYSA-N 1 0 473.017 4.204 20 0 JIADRO c1ccc(CSc2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960683 722061163 /nfs/dbraw/zinc/06/11/63/722061163.db2.gz HOIDEGGDGRQQGP-UHFFFAOYSA-N 1 0 461.635 4.283 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164970089 722082498 /nfs/dbraw/zinc/08/24/98/722082498.db2.gz UPOMDAOJAVAJIZ-JIMJEQGWSA-N 1 0 480.628 4.412 20 0 JIADRO CSc1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164981774 722135111 /nfs/dbraw/zinc/13/51/11/722135111.db2.gz QKNAOCYVMZTWHK-NZQKXSOJSA-N 1 0 463.607 4.113 20 0 JIADRO c1ccc(Cc2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc23)cc1 ZINC001164978890 722138254 /nfs/dbraw/zinc/13/82/54/722138254.db2.gz KKQJUMLUYPGULV-CUBQBAPOSA-N 1 0 465.601 4.343 20 0 JIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCCCC3 ZINC001164982176 722142434 /nfs/dbraw/zinc/14/24/34/722142434.db2.gz RHGYWQRESKCATA-IFMALSPDSA-N 1 0 463.651 4.391 20 0 JIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983774 722143025 /nfs/dbraw/zinc/14/30/25/722143025.db2.gz UUMFZCKIEFYKJW-REWPJTCUSA-N 1 0 485.966 4.464 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982576 722144105 /nfs/dbraw/zinc/14/41/05/722144105.db2.gz RQWOZFUQLNAKHP-OFNKIYASSA-N 1 0 485.966 4.464 20 0 JIADRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972212 722152485 /nfs/dbraw/zinc/15/24/85/722152485.db2.gz GYDLATTYHWQSPO-BVAGGSTKSA-N 1 0 478.040 4.460 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973815 722152522 /nfs/dbraw/zinc/15/25/22/722152522.db2.gz MGIGTCHWXTXMRX-RDJZCZTQSA-N 1 0 476.877 4.421 20 0 JIADRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972213 722152858 /nfs/dbraw/zinc/15/28/58/722152858.db2.gz GYDLATTYHWQSPO-JYFHCDHNSA-N 1 0 478.040 4.460 20 0 JIADRO Clc1ncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164972248 722154818 /nfs/dbraw/zinc/15/48/18/722154818.db2.gz HOSDHGIHLYVRCR-SIKLNZKXSA-N 1 0 451.958 4.045 20 0 JIADRO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@@H]32)cs1 ZINC001164987592 722185492 /nfs/dbraw/zinc/18/54/92/722185492.db2.gz KJOBDQSPQSIXTJ-BJKOFHAPSA-N 1 0 463.651 4.470 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000141 722249882 /nfs/dbraw/zinc/24/98/82/722249882.db2.gz DXTCVSGNFPKYJF-ATIYNZHBSA-N 1 0 452.599 4.123 20 0 JIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1ccccc1Cl)CCC2 ZINC001165003435 722257980 /nfs/dbraw/zinc/25/79/80/722257980.db2.gz CVGCNWAKPGGDTB-UHFFFAOYSA-N 1 0 477.396 4.261 20 0 JIADRO CCC(CC)(CCO)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC001200844614 1067340280 /nfs/dbraw/zinc/34/02/80/1067340280.db2.gz JFALNSDEYALFFF-UHFFFAOYSA-N 1 0 458.153 4.471 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300651219 1069334560 /nfs/dbraw/zinc/33/45/60/1069334560.db2.gz UIHMRRZFFCNCFP-QUCCMNQESA-N 1 0 459.660 4.070 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1CC[NH+]1CCCCC1 ZINC001300651348 1069335239 /nfs/dbraw/zinc/33/52/39/1069335239.db2.gz XJSXBZZYTLKDGK-HXUWFJFHSA-N 1 0 459.660 4.074 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300659832 1069366054 /nfs/dbraw/zinc/36/60/54/1069366054.db2.gz HHDATGRGCVMMGP-ZWKOTPCHSA-N 1 0 473.668 4.172 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001300659636 1069364889 /nfs/dbraw/zinc/36/48/89/1069364889.db2.gz DEEIWJIPKLLKIO-WOJBJXKFSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300659674 1069364907 /nfs/dbraw/zinc/36/49/07/1069364907.db2.gz FDXNWHJIDYTKEL-XXBNENTESA-N 1 0 485.654 4.339 20 0 JIADRO C[NH+](C)CCOc1cccc(NC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c1 ZINC001354600483 1069382051 /nfs/dbraw/zinc/38/20/51/1069382051.db2.gz JSJLWKLZWNVCBI-UHFFFAOYSA-N 1 0 453.852 4.132 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001300669039 1069396647 /nfs/dbraw/zinc/39/66/47/1069396647.db2.gz IARJLHTWLZSIOU-FXAWDEMLSA-N 1 0 499.603 4.221 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCOC(C)(C)C ZINC001300670741 1069403462 /nfs/dbraw/zinc/40/34/62/1069403462.db2.gz WVONEURIFYCTOH-MOPGFXCFSA-N 1 0 459.660 4.067 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359347508 1069420936 /nfs/dbraw/zinc/42/09/36/1069420936.db2.gz MLHRNVGSBUDXEO-OILDRBDJSA-N 1 0 464.658 4.176 20 0 JIADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359347507 1069421085 /nfs/dbraw/zinc/42/10/85/1069421085.db2.gz MLHRNVGSBUDXEO-OEZHIIBRSA-N 1 0 464.658 4.176 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359348142 1069423555 /nfs/dbraw/zinc/42/35/55/1069423555.db2.gz AOEXIQNINLKWNN-XHNADAAHSA-N 1 0 478.685 4.451 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359351493 1069433187 /nfs/dbraw/zinc/43/31/87/1069433187.db2.gz NMKYTDNMMVSVAN-UHFFFAOYSA-N 1 0 491.055 4.449 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359354791 1069441044 /nfs/dbraw/zinc/44/10/44/1069441044.db2.gz ZLUBUITVJCWAJP-HSZRJFAPSA-N 1 0 496.700 4.267 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359354792 1069441123 /nfs/dbraw/zinc/44/11/23/1069441123.db2.gz ZLUBUITVJCWAJP-QHCPKHFHSA-N 1 0 496.700 4.267 20 0 JIADRO CC(=O)N1CCC(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001359364219 1069458526 /nfs/dbraw/zinc/45/85/26/1069458526.db2.gz LWALSQNJDXUBOE-QFIPXVFZSA-N 1 0 496.700 4.260 20 0 JIADRO CC(=O)N1CCC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001359372501 1069474959 /nfs/dbraw/zinc/47/49/59/1069474959.db2.gz FXKYTMKYWSIIFT-HSZRJFAPSA-N 1 0 484.714 4.058 20 0 JIADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001359374290 1069479353 /nfs/dbraw/zinc/47/93/53/1069479353.db2.gz XRIGRFXIOBZKFF-XMMPIXPASA-N 1 0 496.700 4.360 20 0 JIADRO CC(=O)N1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001359375334 1069481508 /nfs/dbraw/zinc/48/15/08/1069481508.db2.gz JRMWNKJLTZSEAH-UHFFFAOYSA-N 1 0 496.700 4.161 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001359380437 1069485136 /nfs/dbraw/zinc/48/51/36/1069485136.db2.gz LVEIGTFCUBNZRC-BWKNWUBXSA-N 1 0 498.691 4.213 20 0 JIADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001359383026 1069487651 /nfs/dbraw/zinc/48/76/51/1069487651.db2.gz RIXVBTYWQYADEF-PMACEKPBSA-N 1 0 491.080 4.086 20 0 JIADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)[C@H](C)C1 ZINC001359386066 1069494011 /nfs/dbraw/zinc/49/40/11/1069494011.db2.gz SIJQMSMPVMJDFG-UZLBHIALSA-N 1 0 473.046 4.020 20 0 JIADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC12CCCCC2 ZINC001359391891 1069497896 /nfs/dbraw/zinc/49/78/96/1069497896.db2.gz GASWVUVLWFMYLN-VWLOTQADSA-N 1 0 480.701 4.459 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001359396929 1069502744 /nfs/dbraw/zinc/50/27/44/1069502744.db2.gz PEYQZTQFYQATOI-VXKWHMMOSA-N 1 0 484.714 4.056 20 0 JIADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001359397594 1069503805 /nfs/dbraw/zinc/50/38/05/1069503805.db2.gz FRUWOJZLCXPHJV-ISKFKSNPSA-N 1 0 498.741 4.304 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359412313 1069531638 /nfs/dbraw/zinc/53/16/38/1069531638.db2.gz RLMBSIWCGHVTOB-XPPIMPSXSA-N 1 0 493.700 4.297 20 0 JIADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001359414066 1069536567 /nfs/dbraw/zinc/53/65/67/1069536567.db2.gz WRLVAHLMQGCYCK-VHYCJAOWSA-N 1 0 489.108 4.382 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001359420161 1069546557 /nfs/dbraw/zinc/54/65/57/1069546557.db2.gz BBVLDOVIWAWORM-DEOSSOPVSA-N 1 0 466.674 4.006 20 0 JIADRO CC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359423659 1069547983 /nfs/dbraw/zinc/54/79/83/1069547983.db2.gz NZXNHWUQZJSCFG-RDGATRHJSA-N 1 0 480.701 4.069 20 0 JIADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001359418048 1069545106 /nfs/dbraw/zinc/54/51/06/1069545106.db2.gz KJRQVPGIKRNGKP-YLJYHZDGSA-N 1 0 493.483 4.477 20 0 JIADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359430246 1069555019 /nfs/dbraw/zinc/55/50/19/1069555019.db2.gz NPHBBLAVAMVXIB-HSZRJFAPSA-N 1 0 496.700 4.233 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359433164 1069559459 /nfs/dbraw/zinc/55/94/59/1069559459.db2.gz CGVGJCDVWGSIPU-FQEVSTJZSA-N 1 0 473.065 4.216 20 0 JIADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001359433503 1069561121 /nfs/dbraw/zinc/56/11/21/1069561121.db2.gz JQMBZGZJRJEAMY-WBVHZDCISA-N 1 0 479.456 4.087 20 0 JIADRO CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359456949 1069582299 /nfs/dbraw/zinc/58/22/99/1069582299.db2.gz RULWYPMJJLTFKC-FQEVSTJZSA-N 1 0 470.637 4.091 20 0 JIADRO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359454750 1069579471 /nfs/dbraw/zinc/57/94/71/1069579471.db2.gz VICUTVBYHYSWRX-IBGZPJMESA-N 1 0 489.064 4.052 20 0 JIADRO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359455149 1069580281 /nfs/dbraw/zinc/58/02/81/1069580281.db2.gz HWAVZORMHKEQBF-UHFFFAOYSA-N 1 0 468.690 4.327 20 0 JIADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359464622 1069592964 /nfs/dbraw/zinc/59/29/64/1069592964.db2.gz YVFZPHNVICHGAG-UHFFFAOYSA-N 1 0 472.703 4.180 20 0 JIADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359464672 1069593105 /nfs/dbraw/zinc/59/31/05/1069593105.db2.gz BGCWCSXDDBGTKN-CLOONOSVSA-N 1 0 472.703 4.260 20 0 JIADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1CCCC1 ZINC001359479851 1069650502 /nfs/dbraw/zinc/65/05/02/1069650502.db2.gz OIMMENKSMYGIGP-OALUTQOASA-N 1 0 493.743 4.019 20 0 JIADRO CC(C)(C)C1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001359499597 1069754080 /nfs/dbraw/zinc/75/40/80/1069754080.db2.gz PWGUDRMGHILKKU-NHCUHLMSSA-N 1 0 461.720 4.428 20 0 JIADRO CC(C)(C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359503019 1069768845 /nfs/dbraw/zinc/76/88/45/1069768845.db2.gz DFGPVQPQOIDUQG-CYBMUJFWSA-N 1 0 453.475 4.381 20 0 JIADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359512595 1069794866 /nfs/dbraw/zinc/79/48/66/1069794866.db2.gz JBQJNHZBVGJWGL-HXUWFJFHSA-N 1 0 461.601 4.284 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCCn1cc(Br)cn1 ZINC001359530867 1069822895 /nfs/dbraw/zinc/82/28/95/1069822895.db2.gz UGXAZTPQJGPNKD-HXUWFJFHSA-N 1 0 492.510 4.371 20 0 JIADRO CC(C)(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001359530104 1069821013 /nfs/dbraw/zinc/82/10/13/1069821013.db2.gz RCKWQANFKYUJMG-UHFFFAOYSA-N 1 0 476.710 4.484 20 0 JIADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001359540187 1069837461 /nfs/dbraw/zinc/83/74/61/1069837461.db2.gz MBGLHAWJADSDMM-BWKNWUBXSA-N 1 0 457.688 4.008 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCCC2)CC[C@H]1C ZINC001300794142 1069844727 /nfs/dbraw/zinc/84/47/27/1069844727.db2.gz IHBKKLGIXYKZDI-YLJYHZDGSA-N 1 0 462.436 4.055 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 ZINC001359546898 1069851712 /nfs/dbraw/zinc/85/17/12/1069851712.db2.gz ULHLORDVKKPBIA-HXUWFJFHSA-N 1 0 477.053 4.205 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001359547658 1069853356 /nfs/dbraw/zinc/85/33/56/1069853356.db2.gz XVDADSQPBJAPPX-VWLOTQADSA-N 1 0 460.066 4.350 20 0 JIADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001359547583 1069853393 /nfs/dbraw/zinc/85/33/93/1069853393.db2.gz VPNRJZOPTKMYNX-OAQYLSRUSA-N 1 0 470.662 4.308 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)CC1 ZINC001359547729 1069853970 /nfs/dbraw/zinc/85/39/70/1069853970.db2.gz ALMWZWBXLOIBLC-UHFFFAOYSA-N 1 0 471.394 4.392 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001359548506 1069855127 /nfs/dbraw/zinc/85/51/27/1069855127.db2.gz DHASMARZRUYAKT-UHFFFAOYSA-N 1 0 461.948 4.295 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSCC(F)(F)F)CC1 ZINC001359549865 1069858001 /nfs/dbraw/zinc/85/80/01/1069858001.db2.gz DWUBTDALTFZTAU-UHFFFAOYSA-N 1 0 459.557 4.224 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSCC(F)(F)F)CC1 ZINC001359549760 1069858033 /nfs/dbraw/zinc/85/80/33/1069858033.db2.gz AHYDXZPIKYSVPJ-UHFFFAOYSA-N 1 0 477.547 4.363 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359549908 1069858049 /nfs/dbraw/zinc/85/80/49/1069858049.db2.gz HDPUAFYJBCDWOY-UHFFFAOYSA-N 1 0 462.589 4.019 20 0 JIADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(F)(F)Br)CC1 ZINC001359550351 1069858994 /nfs/dbraw/zinc/85/89/94/1069858994.db2.gz ZHBZHRXHBDDSBF-UHFFFAOYSA-N 1 0 478.332 4.055 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359572888 1069953050 /nfs/dbraw/zinc/95/30/50/1069953050.db2.gz AYLFXWKYUGBALQ-HXUWFJFHSA-N 1 0 475.037 4.188 20 0 JIADRO CC(C)(C)OC(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359573724 1069957042 /nfs/dbraw/zinc/95/70/42/1069957042.db2.gz DELGUGVMUWOGMA-UHFFFAOYSA-N 1 0 496.681 4.167 20 0 JIADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001359580018 1070000806 /nfs/dbraw/zinc/00/08/06/1070000806.db2.gz YSDLKUCIDZNATK-FCHUYYIVSA-N 1 0 476.065 4.229 20 0 JIADRO CC(C)(C)[S@](=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359588541 1070024719 /nfs/dbraw/zinc/02/47/19/1070024719.db2.gz UERCSXPQTPPPKW-PKHCJMHPSA-N 1 0 464.079 4.210 20 0 JIADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001359592962 1070036031 /nfs/dbraw/zinc/03/60/31/1070036031.db2.gz XWRBWBCSAPEIKM-XUVXKRRUSA-N 1 0 487.611 4.230 20 0 JIADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1C(C)(C)C ZINC001359598061 1070053681 /nfs/dbraw/zinc/05/36/81/1070053681.db2.gz MPFFOIFSHZQZGC-UHFFFAOYSA-N 1 0 462.683 4.334 20 0 JIADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001359598565 1070054975 /nfs/dbraw/zinc/05/49/75/1070054975.db2.gz GDYJBHATQKSPLV-QFIPXVFZSA-N 1 0 455.647 4.106 20 0 JIADRO CC(C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359604302 1070064041 /nfs/dbraw/zinc/06/40/41/1070064041.db2.gz RMCKWALLRKGIAX-OAQYLSRUSA-N 1 0 460.066 4.386 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359622801 1070099252 /nfs/dbraw/zinc/09/92/52/1070099252.db2.gz JRRHLIGIHORNBP-VXKWHMMOSA-N 1 0 472.703 4.116 20 0 JIADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001359622079 1070097426 /nfs/dbraw/zinc/09/74/26/1070097426.db2.gz VAVNFOBOTNGGFH-QPTUXGOLSA-N 1 0 496.700 4.043 20 0 JIADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359622832 1070100284 /nfs/dbraw/zinc/10/02/84/1070100284.db2.gz KGZUTXNOCPCCGU-QHCPKHFHSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359624201 1070108314 /nfs/dbraw/zinc/10/83/14/1070108314.db2.gz RSCXXIXTIJKNFF-UHFFFAOYSA-N 1 0 491.055 4.355 20 0 JIADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359625261 1070113308 /nfs/dbraw/zinc/11/33/08/1070113308.db2.gz CTOBLMKLZRLKTL-UHFFFAOYSA-N 1 0 484.664 4.014 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001359627000 1070124935 /nfs/dbraw/zinc/12/49/35/1070124935.db2.gz AQNCCCCKBGQFKK-FQEVSTJZSA-N 1 0 475.081 4.317 20 0 JIADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001359627015 1070124517 /nfs/dbraw/zinc/12/45/17/1070124517.db2.gz AUZZJGPPYVQLBO-OAQYLSRUSA-N 1 0 487.092 4.463 20 0 JIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359628054 1070130397 /nfs/dbraw/zinc/13/03/97/1070130397.db2.gz WHHQGGVWKJGYEG-VXKWHMMOSA-N 1 0 484.664 4.337 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359630742 1070146765 /nfs/dbraw/zinc/14/67/65/1070146765.db2.gz DRISBDZMLDCKOA-JOCHJYFZSA-N 1 0 484.664 4.339 20 0 JIADRO CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359643885 1070183400 /nfs/dbraw/zinc/18/34/00/1070183400.db2.gz QEOFSESSKICWQV-UHFFFAOYSA-N 1 0 470.637 4.048 20 0 JIADRO CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359646241 1070193922 /nfs/dbraw/zinc/19/39/22/1070193922.db2.gz PQPYGHYWAOEFND-UHFFFAOYSA-N 1 0 454.663 4.027 20 0 JIADRO CC(C)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359647367 1070199450 /nfs/dbraw/zinc/19/94/50/1070199450.db2.gz XNRDJTCJYGSPKO-UHFFFAOYSA-N 1 0 473.637 4.227 20 0 JIADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359647666 1070201434 /nfs/dbraw/zinc/20/14/34/1070201434.db2.gz FETBAXDOOYILKT-HSZRJFAPSA-N 1 0 494.453 4.318 20 0 JIADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001359656479 1070235535 /nfs/dbraw/zinc/23/55/35/1070235535.db2.gz QFMZYEUQCRRRHD-WOJBJXKFSA-N 1 0 487.092 4.460 20 0 JIADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001359656597 1070236633 /nfs/dbraw/zinc/23/66/33/1070236633.db2.gz SBBJCKGMJQKUPJ-OFVILXPXSA-N 1 0 489.668 4.020 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001359659486 1070266230 /nfs/dbraw/zinc/26/62/30/1070266230.db2.gz XKUWKVLTUMHIKT-QMMLZNLJSA-N 1 0 476.463 4.035 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001359659427 1070266269 /nfs/dbraw/zinc/26/62/69/1070266269.db2.gz WFPIGKDCWXKTRD-PKOBYXMFSA-N 1 0 458.994 4.141 20 0 JIADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCCC1 ZINC001359659556 1070266942 /nfs/dbraw/zinc/26/69/42/1070266942.db2.gz YKVNFSAEIOCPDM-IBGZPJMESA-N 1 0 460.001 4.228 20 0 JIADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001359659181 1070263475 /nfs/dbraw/zinc/26/34/75/1070263475.db2.gz REWOXYZNOCCVTG-NHCUHLMSSA-N 1 0 491.080 4.134 20 0 JIADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001359660718 1070272900 /nfs/dbraw/zinc/27/29/00/1070272900.db2.gz VZGWXGJYDLZMGS-PMACEKPBSA-N 1 0 466.552 4.008 20 0 JIADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CCc1ccccc1F)[NH+]1CCCC1 ZINC001359664326 1070292405 /nfs/dbraw/zinc/29/24/05/1070292405.db2.gz CUXCQFOJQGGQET-DEOSSOPVSA-N 1 0 450.606 4.202 20 0 JIADRO CC(C)[C@H](Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665557 1070297361 /nfs/dbraw/zinc/29/73/61/1070297361.db2.gz CBLGGHYCWQLIKW-QFIPXVFZSA-N 1 0 460.617 4.301 20 0 JIADRO CC(C)[C@@H](Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359666684 1070302553 /nfs/dbraw/zinc/30/25/53/1070302553.db2.gz YZOCCFSLWQPDHU-HSZRJFAPSA-N 1 0 472.722 4.361 20 0 JIADRO CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC001359666479 1070301726 /nfs/dbraw/zinc/30/17/26/1070301726.db2.gz VEIFDNXCRZBYPE-OAQYLSRUSA-N 1 0 492.590 4.176 20 0 JIADRO CC(C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001359665731 1070298251 /nfs/dbraw/zinc/29/82/51/1070298251.db2.gz FVKJGTQCQKSXIQ-WWNPGLIZSA-N 1 0 497.688 4.201 20 0 JIADRO CC(C)c1nnc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)CCO2)o1 ZINC001359675019 1070326922 /nfs/dbraw/zinc/32/69/22/1070326922.db2.gz CJAVRYRPVPDFDT-PMACEKPBSA-N 1 0 485.608 4.102 20 0 JIADRO CC(C)c1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)cn1 ZINC001359675670 1070329483 /nfs/dbraw/zinc/32/94/83/1070329483.db2.gz RAEUDZKCJWYMCK-UHFFFAOYSA-N 1 0 482.032 4.322 20 0 JIADRO CC(C)c1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359676544 1070331503 /nfs/dbraw/zinc/33/15/03/1070331503.db2.gz KZAYGQBKQQZJCV-NQIIRXRSSA-N 1 0 466.586 4.451 20 0 JIADRO CC(C)c1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1CC[NH+]1CCSCC1 ZINC001359677493 1070331696 /nfs/dbraw/zinc/33/16/96/1070331696.db2.gz GCOVQCFOWAQGBF-SFHVURJKSA-N 1 0 470.456 4.360 20 0 JIADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCOC1CCCCCC1 ZINC001359686048 1070342310 /nfs/dbraw/zinc/34/23/10/1070342310.db2.gz QCZIGJBVPIMLES-XUZZJYLKSA-N 1 0 471.694 4.394 20 0 JIADRO CC(C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359690726 1070347074 /nfs/dbraw/zinc/34/70/74/1070347074.db2.gz QZHJCIAWXSKYAU-QHCPKHFHSA-N 1 0 453.631 4.327 20 0 JIADRO CC(C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359690765 1070347382 /nfs/dbraw/zinc/34/73/82/1070347382.db2.gz SAZXPAHFYIEKKD-XLIONFOSSA-N 1 0 451.537 4.202 20 0 JIADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359700015 1070363112 /nfs/dbraw/zinc/36/31/12/1070363112.db2.gz ZUAFJJPOVUBWMJ-UHFFFAOYSA-N 1 0 473.735 4.199 20 0 JIADRO CC(C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359698998 1070360508 /nfs/dbraw/zinc/36/05/08/1070360508.db2.gz RDTSJLHDXFZXLD-RTWAWAEBSA-N 1 0 460.667 4.113 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359699564 1070361404 /nfs/dbraw/zinc/36/14/04/1070361404.db2.gz KDDXGGQBGRUVLF-NRFANRHFSA-N 1 0 465.602 4.088 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359699517 1070361632 /nfs/dbraw/zinc/36/16/32/1070361632.db2.gz ITNZMSCDPFPBIZ-UHFFFAOYSA-N 1 0 470.637 4.061 20 0 JIADRO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359699565 1070361846 /nfs/dbraw/zinc/36/18/46/1070361846.db2.gz KDDXGGQBGRUVLF-OAQYLSRUSA-N 1 0 465.602 4.088 20 0 JIADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359699511 1070361990 /nfs/dbraw/zinc/36/19/90/1070361990.db2.gz IODXXZSXYARCJX-QFIPXVFZSA-N 1 0 470.662 4.393 20 0 JIADRO CC(C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359701287 1070366454 /nfs/dbraw/zinc/36/64/54/1070366454.db2.gz OJPKONPBLIZIEI-VXKWHMMOSA-N 1 0 461.676 4.320 20 0 JIADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359702483 1070368638 /nfs/dbraw/zinc/36/86/38/1070368638.db2.gz YWWNHONZIQEVHR-QFIPXVFZSA-N 1 0 492.709 4.032 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001359707306 1070374770 /nfs/dbraw/zinc/37/47/70/1070374770.db2.gz QLHBYXYEQHFRRJ-RTBURBONSA-N 1 0 478.483 4.152 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359705654 1070371664 /nfs/dbraw/zinc/37/16/64/1070371664.db2.gz JCRAJNJVIALDJB-FPOVZHCZSA-N 1 0 452.647 4.026 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359706510 1070372857 /nfs/dbraw/zinc/37/28/57/1070372857.db2.gz BKDMNFHIZYCKTM-RTBURBONSA-N 1 0 494.610 4.413 20 0 JIADRO CC(C)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359708973 1070377686 /nfs/dbraw/zinc/37/76/86/1070377686.db2.gz ZMBKPUPUVWECFS-DEOSSOPVSA-N 1 0 469.674 4.190 20 0 JIADRO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359711383 1070378958 /nfs/dbraw/zinc/37/89/58/1070378958.db2.gz DKRQOQOUMDACEK-NRFANRHFSA-N 1 0 470.637 4.158 20 0 JIADRO COc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)c(Cl)c1OC ZINC001315462151 1064278840 /nfs/dbraw/zinc/27/88/40/1064278840.db2.gz LCLCLZJLBSIVCR-UHFFFAOYSA-N 1 0 485.032 4.174 20 0 JIADRO COc1ccc(CCn2c(CC(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)c(Cl)c1OC ZINC001315469755 1064305897 /nfs/dbraw/zinc/30/58/97/1064305897.db2.gz QLDKMBWDBKHYCC-UHFFFAOYSA-N 1 0 464.054 4.357 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1C ZINC001315470754 1064309041 /nfs/dbraw/zinc/30/90/41/1064309041.db2.gz SCRSWQUKPYJBCD-UHFFFAOYSA-N 1 0 457.663 4.418 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001315473857 1064317388 /nfs/dbraw/zinc/31/73/88/1064317388.db2.gz MPSLQLPBCAQXBF-OAQYLSRUSA-N 1 0 476.581 4.198 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC2(SC)CC[NH+](C)CC2)cc1OC ZINC001315474657 1064321277 /nfs/dbraw/zinc/32/12/77/1064321277.db2.gz QEWSNGDBWVUSDF-UHFFFAOYSA-N 1 0 496.681 4.130 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC001315476882 1064328811 /nfs/dbraw/zinc/32/88/11/1064328811.db2.gz JCCGGLVBOWURSX-XUZZJYLKSA-N 1 0 471.646 4.238 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2(SC)CC[NH+](C)CC2)cc1C ZINC001315478280 1064332336 /nfs/dbraw/zinc/33/23/36/1064332336.db2.gz SGNCJXICQLBHTF-JOCHJYFZSA-N 1 0 473.687 4.301 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001315478368 1064333309 /nfs/dbraw/zinc/33/33/09/1064333309.db2.gz UPXOEUJWGINQNG-NZQKXSOJSA-N 1 0 471.646 4.438 20 0 JIADRO COc1ccc(CN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001315478915 1064334237 /nfs/dbraw/zinc/33/42/37/1064334237.db2.gz XEBDBZASQWKDOA-RTBURBONSA-N 1 0 471.646 4.087 20 0 JIADRO COc1ccc(CN(c2nnc(CC(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC001315481293 1064342207 /nfs/dbraw/zinc/34/22/07/1064342207.db2.gz BAJMFPNPFXYMRC-RUZDIDTESA-N 1 0 457.688 4.482 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001315481549 1064343523 /nfs/dbraw/zinc/34/35/23/1064343523.db2.gz LFAMCYGUMDESQK-SIKLNZKXSA-N 1 0 457.619 4.048 20 0 JIADRO COc1ccc(CN(CCO)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001315484300 1064351651 /nfs/dbraw/zinc/35/16/51/1064351651.db2.gz WVOXOVZAGUBPTE-FQEVSTJZSA-N 1 0 487.689 4.102 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1OC(F)F ZINC001315485271 1064354153 /nfs/dbraw/zinc/35/41/53/1064354153.db2.gz NMGBXDVJJPNCGG-QGZVFWFLSA-N 1 0 463.573 4.370 20 0 JIADRO COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001315492628 1064378734 /nfs/dbraw/zinc/37/87/34/1064378734.db2.gz XGUXHQAHDXISDX-UHFFFAOYSA-N 1 0 452.578 4.093 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1OC ZINC001315499499 1064397180 /nfs/dbraw/zinc/39/71/80/1064397180.db2.gz APNPFUROUVHYDA-QFIPXVFZSA-N 1 0 499.700 4.499 20 0 JIADRO COc1ccc(Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(OC)n1 ZINC001315501786 1064404520 /nfs/dbraw/zinc/40/45/20/1064404520.db2.gz BMIKVXDGDQQYSZ-UHFFFAOYSA-N 1 0 470.662 4.030 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315513869 1064457027 /nfs/dbraw/zinc/45/70/27/1064457027.db2.gz WODCEKIZQCJDIT-SFHVURJKSA-N 1 0 470.021 4.298 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001315522153 1064489843 /nfs/dbraw/zinc/48/98/43/1064489843.db2.gz GLWHEMYBDLZYOC-FCHUYYIVSA-N 1 0 485.673 4.116 20 0 JIADRO COc1ccc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001315523011 1064493262 /nfs/dbraw/zinc/49/32/62/1064493262.db2.gz GXBIWSAIVSJZIG-JOCHJYFZSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001315524577 1064498667 /nfs/dbraw/zinc/49/86/67/1064498667.db2.gz VSECDPFKSMYFDM-UHFFFAOYSA-N 1 0 499.700 4.158 20 0 JIADRO COc1ccc(OC)c2c1CN(c1nnc(CC3CCCC3)n1CC[NH+](C(C)C)C(C)C)C[C@@H]2O ZINC001315528485 1064507496 /nfs/dbraw/zinc/50/74/96/1064507496.db2.gz ZYPILPGQJSLSQG-QFIPXVFZSA-N 1 0 485.673 4.200 20 0 JIADRO COc1ccc(OCc2nnc(N3CC=CCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315528522 1064508313 /nfs/dbraw/zinc/50/83/13/1064508313.db2.gz KIEQHABLYKMCTE-FGZHOGPDSA-N 1 0 453.631 4.390 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001315529201 1064510628 /nfs/dbraw/zinc/51/06/28/1064510628.db2.gz IOAJKEPFVBVOHD-SIKLNZKXSA-N 1 0 453.587 4.244 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001315531052 1064515718 /nfs/dbraw/zinc/51/57/18/1064515718.db2.gz RKPJHPAKTGXMBM-XMMPIXPASA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315532715 1064520419 /nfs/dbraw/zinc/52/04/19/1064520419.db2.gz KAJBHKYDNBCSDX-ZRBLBEILSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315532711 1064520472 /nfs/dbraw/zinc/52/04/72/1064520472.db2.gz KAJBHKYDNBCSDX-XPWALMASSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001315534302 1064523361 /nfs/dbraw/zinc/52/33/61/1064523361.db2.gz UWZXGFHPKNQFSL-UHFFFAOYSA-N 1 0 473.662 4.237 20 0 JIADRO COc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001315538388 1064532389 /nfs/dbraw/zinc/53/23/89/1064532389.db2.gz SUTARWVMSNFUCS-VXKWHMMOSA-N 1 0 485.654 4.091 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315538542 1064533296 /nfs/dbraw/zinc/53/32/96/1064533296.db2.gz BWODVQIPZDDZQN-UHFFFAOYSA-N 1 0 478.641 4.437 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001315540975 1064538146 /nfs/dbraw/zinc/53/81/46/1064538146.db2.gz NRGWVTCQGIHLBW-ZBLYBZFDSA-N 1 0 478.641 4.374 20 0 JIADRO COc1cccc(C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001315541608 1064539520 /nfs/dbraw/zinc/53/95/20/1064539520.db2.gz FPHZNRSJHWIDLG-QFIPXVFZSA-N 1 0 469.674 4.325 20 0 JIADRO COc1ccc(OCCn2c(CC(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001315543636 1064544452 /nfs/dbraw/zinc/54/44/52/1064544452.db2.gz WSVLQSDIDOSFRU-UHFFFAOYSA-N 1 0 455.647 4.267 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)c1 ZINC001315545842 1064551571 /nfs/dbraw/zinc/55/15/71/1064551571.db2.gz DEJZOZKQSZYNFN-OAQYLSRUSA-N 1 0 456.541 4.277 20 0 JIADRO COc1cccc(C(C)(C)Cn2c(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c1 ZINC001315545817 1064551796 /nfs/dbraw/zinc/55/17/96/1064551796.db2.gz PJCBUULGMWSVIU-FQEVSTJZSA-N 1 0 469.674 4.252 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@@H](C)c2nccs2)[NH+](C)C)c1 ZINC001315546142 1064553394 /nfs/dbraw/zinc/55/33/94/1064553394.db2.gz GAFAHRWRSQOWLP-DYESRHJHSA-N 1 0 465.627 4.281 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](SC)C2)[NH+](C)C)c1 ZINC001315546364 1064554025 /nfs/dbraw/zinc/55/40/25/1064554025.db2.gz HEKVAMUXNRXGRA-JTHBVZDNSA-N 1 0 466.655 4.374 20 0 JIADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)c1 ZINC001315546665 1064555075 /nfs/dbraw/zinc/55/50/75/1064555075.db2.gz WYEMGTMKRZIZLZ-NGYIFUPDSA-N 1 0 455.647 4.320 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cc(C)on2)[NH+](C)C)c1 ZINC001315547435 1064557215 /nfs/dbraw/zinc/55/72/15/1064557215.db2.gz AFRPOHFHDGMKSB-WXFUMESZSA-N 1 0 496.656 4.441 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCOC(C)(C)[C@H]2C)[NH+](C)C)c1 ZINC001315547745 1064557893 /nfs/dbraw/zinc/55/78/93/1064557893.db2.gz CQQUNGOILJQXJT-AUSIDOKSSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCOC(C)(C)[C@H]2C)[NH+]2CCCC2)c1 ZINC001315547614 1064557960 /nfs/dbraw/zinc/55/79/60/1064557960.db2.gz SIVXYYWHDTUQIW-OFNKIYASSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)[NH+](C)C)c1 ZINC001315547989 1064558597 /nfs/dbraw/zinc/55/85/97/1064558597.db2.gz WHUVZIHNCYAJPR-DNQXCXABSA-N 1 0 471.646 4.225 20 0 JIADRO COc1cccc(-c2nnc(N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C)c1 ZINC001315552378 1064569105 /nfs/dbraw/zinc/56/91/05/1064569105.db2.gz RUBASBDTIOIRTB-VMSMKEMKSA-N 1 0 498.672 4.271 20 0 JIADRO COc1cccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001315553940 1064571349 /nfs/dbraw/zinc/57/13/49/1064571349.db2.gz MZPJHJNZGPSQJQ-QHCPKHFHSA-N 1 0 467.658 4.373 20 0 JIADRO COc1cccc(-c2nnc(N3CCC(c4cnn(C)c4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315554776 1064573510 /nfs/dbraw/zinc/57/35/10/1064573510.db2.gz AQABGBCUMFKFGS-QHCPKHFHSA-N 1 0 465.646 4.048 20 0 JIADRO COc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315556752 1064576092 /nfs/dbraw/zinc/57/60/92/1064576092.db2.gz PNOBIRQLQOCFHG-QFIPXVFZSA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001315558397 1064580077 /nfs/dbraw/zinc/58/00/77/1064580077.db2.gz VCXBGLACVYFDSM-NRFANRHFSA-N 1 0 498.672 4.181 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001315558398 1064580940 /nfs/dbraw/zinc/58/09/40/1064580940.db2.gz VCXBGLACVYFDSM-OAQYLSRUSA-N 1 0 498.672 4.181 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315559328 1064584388 /nfs/dbraw/zinc/58/43/88/1064584388.db2.gz BMGCCUPGZMFEHD-WOVHNISZSA-N 1 0 455.647 4.470 20 0 JIADRO COc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001315561827 1064588043 /nfs/dbraw/zinc/58/80/43/1064588043.db2.gz BNHWKLLMTMIQNG-UHFFFAOYSA-N 1 0 496.700 4.303 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(c4cccs4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001315562174 1064588362 /nfs/dbraw/zinc/58/83/62/1064588362.db2.gz ASUPYHFZMSOZCD-UHFFFAOYSA-N 1 0 468.671 4.461 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315563538 1064591920 /nfs/dbraw/zinc/59/19/20/1064591920.db2.gz CJWSMODPEIPNBP-UHFFFAOYSA-N 1 0 499.704 4.093 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001315564026 1064592885 /nfs/dbraw/zinc/59/28/85/1064592885.db2.gz RXSQASPQOLLDFE-REWPJTCUSA-N 1 0 498.672 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001315564024 1064592979 /nfs/dbraw/zinc/59/29/79/1064592979.db2.gz RXSQASPQOLLDFE-NZQKXSOJSA-N 1 0 498.672 4.130 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315565423 1064596673 /nfs/dbraw/zinc/59/66/73/1064596673.db2.gz DCFOUDAEEYOKDX-IZVMNLJQSA-N 1 0 498.672 4.033 20 0 JIADRO COc1cccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001315566770 1064599327 /nfs/dbraw/zinc/59/93/27/1064599327.db2.gz IMAJDFSBJLOYJT-NFBKMPQASA-N 1 0 473.687 4.032 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001315567202 1064599827 /nfs/dbraw/zinc/59/98/27/1064599827.db2.gz OEUWTRGDZVTYQZ-RLWLMLJZSA-N 1 0 467.614 4.491 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315567672 1064600781 /nfs/dbraw/zinc/60/07/81/1064600781.db2.gz RTETVOOUGCCPQP-JTAQYXEDSA-N 1 0 455.647 4.325 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315567931 1064601472 /nfs/dbraw/zinc/60/14/72/1064601472.db2.gz VNIHNINQMAPASH-PXNSSMCTSA-N 1 0 481.563 4.232 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315567900 1064601588 /nfs/dbraw/zinc/60/15/88/1064601588.db2.gz UVXDDVIVFKPSMI-NQIIRXRSSA-N 1 0 481.563 4.376 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001315567902 1064601721 /nfs/dbraw/zinc/60/17/21/1064601721.db2.gz UVXDDVIVFKPSMI-WIYYLYMNSA-N 1 0 481.563 4.376 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001315568689 1064604522 /nfs/dbraw/zinc/60/45/22/1064604522.db2.gz AAZCODGPKAIODM-JQVVWYNYSA-N 1 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4.277 20 0 JIADRO COc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001315576440 1064633046 /nfs/dbraw/zinc/63/30/46/1064633046.db2.gz XIXPIODFRKQHOI-MHECFPHRSA-N 1 0 495.590 4.215 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001315578635 1064640908 /nfs/dbraw/zinc/64/09/08/1064640908.db2.gz NOCYPHNOXDJGMX-UHFFFAOYSA-N 1 0 483.682 4.465 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315583804 1064656229 /nfs/dbraw/zinc/65/62/29/1064656229.db2.gz TYGJOCIPVMJJMT-NRFANRHFSA-N 1 0 472.653 4.388 20 0 JIADRO COc1ccccc1[C@H](Cn1c(N(C)CC2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001315590219 1064676709 /nfs/dbraw/zinc/67/67/09/1064676709.db2.gz BLKVUNHXPFWKPG-QFIPXVFZSA-N 1 0 455.647 4.284 20 0 JIADRO COc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315593333 1064687385 /nfs/dbraw/zinc/68/73/85/1064687385.db2.gz BVWJPKWFKWZXDC-ZWKOTPCHSA-N 1 0 472.037 4.097 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315593755 1064688998 /nfs/dbraw/zinc/68/89/98/1064688998.db2.gz MIJLNYQHLLYECQ-QHAWAJNXSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315596233 1064696553 /nfs/dbraw/zinc/69/65/53/1064696553.db2.gz IITWMLXNZZLRGQ-WFXMLNOXSA-N 1 0 481.563 4.374 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@](C)(O)CCC(C)C ZINC001315599222 1064704465 /nfs/dbraw/zinc/70/44/65/1064704465.db2.gz FLNNABWQGUWGOE-RLWLMLJZSA-N 1 0 455.647 4.206 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCSC(F)(F)F ZINC001315602268 1064711712 /nfs/dbraw/zinc/71/17/12/1064711712.db2.gz WKFYUALAIMBWGS-UHFFFAOYSA-N 1 0 499.603 4.288 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCOCC(F)F ZINC001315603560 1064715855 /nfs/dbraw/zinc/71/58/55/1064715855.db2.gz HNGITURZPVEIJN-HXUWFJFHSA-N 1 0 477.600 4.328 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001315604661 1064717763 /nfs/dbraw/zinc/71/77/63/1064717763.db2.gz KSPAMDSMCUFXTO-UNMCSNQZSA-N 1 0 473.687 4.032 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315604700 1064717935 /nfs/dbraw/zinc/71/79/35/1064717935.db2.gz PIGFUNUNFVDTIA-SFTDATJTSA-N 1 0 481.645 4.081 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCC(C)CC1 ZINC001315605955 1064720958 /nfs/dbraw/zinc/72/09/58/1064720958.db2.gz YWBMKNRCUNDTEA-GOSISDBHSA-N 1 0 451.537 4.464 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001315606326 1064722040 /nfs/dbraw/zinc/72/20/40/1064722040.db2.gz FMKXVYDXSKUQML-UHFFFAOYSA-N 1 0 498.672 4.179 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606227 1064722252 /nfs/dbraw/zinc/72/22/52/1064722252.db2.gz BGZMDMCZFQEXIG-DHIUTWEWSA-N 1 0 496.700 4.015 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001315606894 1064724156 /nfs/dbraw/zinc/72/41/56/1064724156.db2.gz KTJGZYFXPAHHCM-UHFFFAOYSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001315607941 1064726542 /nfs/dbraw/zinc/72/65/42/1064726542.db2.gz SSWPBTQOBICSFN-SFTDATJTSA-N 1 0 455.647 4.185 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315609205 1064728581 /nfs/dbraw/zinc/72/85/81/1064728581.db2.gz KOWQCUILXPOWGE-YLJYHZDGSA-N 1 0 455.628 4.322 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315614993 1064740000 /nfs/dbraw/zinc/74/00/00/1064740000.db2.gz ZBTAXZLCOMLQPQ-BHIFYINESA-N 1 0 464.658 4.480 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001315615496 1064741156 /nfs/dbraw/zinc/74/11/56/1064741156.db2.gz HSEZRMSZWOTKAM-URXFXBBRSA-N 1 0 455.647 4.472 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001315618228 1064749473 /nfs/dbraw/zinc/74/94/73/1064749473.db2.gz VAVUTGWHVOBXMP-MHXAIHSWSA-N 1 0 457.663 4.223 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CC2CCOCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315619607 1064752531 /nfs/dbraw/zinc/75/25/31/1064752531.db2.gz VAAVGVBGOCTFPP-OAQYLSRUSA-N 1 0 455.647 4.005 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001315624828 1064765392 /nfs/dbraw/zinc/76/53/92/1064765392.db2.gz BFVHYJJITFNSNW-QHCPKHFHSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315625988 1064769099 /nfs/dbraw/zinc/76/90/99/1064769099.db2.gz OYWVDHSMVKRRCW-ZDXQCDESSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315626889 1064771421 /nfs/dbraw/zinc/77/14/21/1064771421.db2.gz WSUOIVHMWFTEDB-IBGZPJMESA-N 1 0 488.474 4.488 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)SC ZINC001315628617 1064775591 /nfs/dbraw/zinc/77/55/91/1064775591.db2.gz DJZBISNEJKSTGB-IBGZPJMESA-N 1 0 457.688 4.330 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](OC)C(C)(C)C ZINC001315629527 1064777677 /nfs/dbraw/zinc/77/76/77/1064777677.db2.gz IZRAKCYOBGTNSB-DEOSSOPVSA-N 1 0 469.674 4.393 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCS[C@H](C(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315631320 1064782668 /nfs/dbraw/zinc/78/26/68/1064782668.db2.gz NKAXFUAMDJXDSC-OFNKIYASSA-N 1 0 457.688 4.187 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001315632307 1064785206 /nfs/dbraw/zinc/78/52/06/1064785206.db2.gz VIOXHEXMFOHOBH-HKUYNNGSSA-N 1 0 457.669 4.184 20 0 JIADRO COc1ccccc1CCN(C)c1nnc([C@H]2CCCCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001315632589 1064785575 /nfs/dbraw/zinc/78/55/75/1064785575.db2.gz GBABFPZVPFZPJR-XMMPIXPASA-N 1 0 455.647 4.472 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001315637629 1064796224 /nfs/dbraw/zinc/79/62/24/1064796224.db2.gz MYXVLNMIEYHVCK-SFTDATJTSA-N 1 0 478.641 4.181 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001315638388 1064797742 /nfs/dbraw/zinc/79/77/42/1064797742.db2.gz GTQDTUSDUMIUTO-UNMCSNQZSA-N 1 0 498.672 4.479 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315639130 1064799307 /nfs/dbraw/zinc/79/93/07/1064799307.db2.gz KMZXHNBOGRBMKK-FPOVZHCZSA-N 1 0 455.628 4.182 20 0 JIADRO COc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315639683 1064800433 /nfs/dbraw/zinc/80/04/33/1064800433.db2.gz PZMXREYEGXFGAJ-OALUTQOASA-N 1 0 468.671 4.399 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(-c2ccc(C)o2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315640096 1064802308 /nfs/dbraw/zinc/80/23/08/1064802308.db2.gz RGLJUTTXQMQNHE-DCFHFQCYSA-N 1 0 481.641 4.365 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315642462 1064806971 /nfs/dbraw/zinc/80/69/71/1064806971.db2.gz DQVOYXLYRZZLAU-JOCHJYFZSA-N 1 0 468.671 4.097 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315643635 1064810360 /nfs/dbraw/zinc/81/03/60/1064810360.db2.gz QDHBCAQVAOACIK-HSZRJFAPSA-N 1 0 468.690 4.322 20 0 JIADRO COc1ccccc1N1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001315644526 1064811777 /nfs/dbraw/zinc/81/17/77/1064811777.db2.gz YWNHEYFARATOGE-OAQYLSRUSA-N 1 0 468.690 4.369 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315651123 1064831154 /nfs/dbraw/zinc/83/11/54/1064831154.db2.gz SUZSYWDLOFZVSK-NZQKXSOJSA-N 1 0 471.646 4.164 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)CCOCC1 ZINC001315653175 1064837593 /nfs/dbraw/zinc/83/75/93/1064837593.db2.gz FDAPBVOAUUQQNW-UHFFFAOYSA-N 1 0 485.673 4.241 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C)(C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001315653993 1064840371 /nfs/dbraw/zinc/84/03/71/1064840371.db2.gz ODEIPMNPOOVCAR-NHCUHLMSSA-N 1 0 485.673 4.380 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC(C)(C)SC ZINC001315656860 1064847947 /nfs/dbraw/zinc/84/79/47/1064847947.db2.gz QHRXJDOJYWFUOR-UHFFFAOYSA-N 1 0 459.660 4.072 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315658793 1064853168 /nfs/dbraw/zinc/85/31/68/1064853168.db2.gz QLRGVEOBJNODDZ-FPOVZHCZSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315661193 1064859720 /nfs/dbraw/zinc/85/97/20/1064859720.db2.gz DRBOZAZWJMEPMC-BGYRXZFFSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315662983 1064867976 /nfs/dbraw/zinc/86/79/76/1064867976.db2.gz DTKROBMVELUCEY-ACRUOGEOSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001315662902 1064868029 /nfs/dbraw/zinc/86/80/29/1064868029.db2.gz BBGOGKGWTGIOHW-HXUWFJFHSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCCO[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315664170 1064873531 /nfs/dbraw/zinc/87/35/31/1064873531.db2.gz GXHOTRYWIVBRAH-SFTDATJTSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H](OC)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315665475 1064878771 /nfs/dbraw/zinc/87/87/71/1064878771.db2.gz RIFQPNFPJWCSFD-FQEVSTJZSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315666906 1064885159 /nfs/dbraw/zinc/88/51/59/1064885159.db2.gz AIPRIFJEPNKWDV-WZOHSFFVSA-N 1 0 473.687 4.315 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315669401 1064896839 /nfs/dbraw/zinc/89/68/39/1064896839.db2.gz JULSLRQTLHWODL-VSKRKVRLSA-N 1 0 487.714 4.298 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315669652 1064897399 /nfs/dbraw/zinc/89/73/99/1064897399.db2.gz WNJYMSNFVCFHSR-WOJBJXKFSA-N 1 0 459.660 4.069 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315669988 1064898525 /nfs/dbraw/zinc/89/85/25/1064898525.db2.gz ZZRGKGKROFCLNK-SFTDATJTSA-N 1 0 473.687 4.316 20 0 JIADRO COc1ccncc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315673336 1064906228 /nfs/dbraw/zinc/90/62/28/1064906228.db2.gz ZFNKTRANCLDUEP-UHFFFAOYSA-N 1 0 478.641 4.236 20 0 JIADRO COc1ncccc1Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315676541 1064912596 /nfs/dbraw/zinc/91/25/96/1064912596.db2.gz WMBGTUNBSKUNGF-UHFFFAOYSA-N 1 0 452.578 4.093 20 0 JIADRO COC1CCC(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001315680486 1064923794 /nfs/dbraw/zinc/92/37/94/1064923794.db2.gz HRGLLCZGINZTIB-MWXLCCTBSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315685567 1064936212 /nfs/dbraw/zinc/93/62/12/1064936212.db2.gz JGBAYSGWHUNWEK-SFYKDHMMSA-N 1 0 459.610 4.339 20 0 JIADRO CO[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315690514 1064945858 /nfs/dbraw/zinc/94/58/58/1064945858.db2.gz KPADEEZLGYUMOI-YKSBVNFPSA-N 1 0 482.673 4.275 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001315692688 1064950688 /nfs/dbraw/zinc/95/06/88/1064950688.db2.gz NUDCMUJCTGMCAI-IBGZPJMESA-N 1 0 481.483 4.170 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001315702749 1064966884 /nfs/dbraw/zinc/96/68/84/1064966884.db2.gz FCTZIHAEAGXSLM-UHFFFAOYSA-N 1 0 466.605 4.313 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001315703320 1064968138 /nfs/dbraw/zinc/96/81/38/1064968138.db2.gz JHULEVXQSZWUTR-LJQANCHMSA-N 1 0 455.647 4.208 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001315703860 1064969662 /nfs/dbraw/zinc/96/96/62/1064969662.db2.gz GTZGFPDDRGUHTA-NRFANRHFSA-N 1 0 497.663 4.366 20 0 JIADRO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001315704176 1064970008 /nfs/dbraw/zinc/97/00/08/1064970008.db2.gz NZXHUPLNOFDRPX-VXKWHMMOSA-N 1 0 455.647 4.388 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001315704393 1064971426 /nfs/dbraw/zinc/97/14/26/1064971426.db2.gz HSGZUFCRUYLQDZ-FQEVSTJZSA-N 1 0 480.632 4.490 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315704853 1064972922 /nfs/dbraw/zinc/97/29/22/1064972922.db2.gz XNZZMPWMUUIJOK-HXUWFJFHSA-N 1 0 461.601 4.419 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC001315706272 1064977293 /nfs/dbraw/zinc/97/72/93/1064977293.db2.gz UVUGZLMLZHJXJV-UHFFFAOYSA-N 1 0 496.700 4.120 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001315706708 1064978860 /nfs/dbraw/zinc/97/88/60/1064978860.db2.gz WFGJIBFJWLBHPY-RTBURBONSA-N 1 0 491.677 4.216 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCC(OCCC(C)C)CC2)CC1 ZINC001315706827 1064979433 /nfs/dbraw/zinc/97/94/33/1064979433.db2.gz ZIZOWSKQNBYDNL-UHFFFAOYSA-N 1 0 484.689 4.261 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2cccc(OC(F)F)c2)CC1 ZINC001315706816 1064979510 /nfs/dbraw/zinc/97/95/10/1064979510.db2.gz ZGBRAMGDLCUOPC-UHFFFAOYSA-N 1 0 463.573 4.283 20 0 JIADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001315714402 1065001924 /nfs/dbraw/zinc/00/19/24/1065001924.db2.gz RWYLUZJKEUCOQE-SFHVURJKSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001315715958 1065005955 /nfs/dbraw/zinc/00/59/55/1065005955.db2.gz MKWZNNROMAJNIF-LVCYWYKZSA-N 1 0 476.065 4.348 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC001315732996 1065031512 /nfs/dbraw/zinc/03/15/12/1065031512.db2.gz FTINSUKGFLLFBE-DHIUTWEWSA-N 1 0 469.674 4.456 20 0 JIADRO CO[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)CC[C@H]1C ZINC001315733535 1065033037 /nfs/dbraw/zinc/03/30/37/1065033037.db2.gz SRBZEJIHZLHSQK-JCTONOIOSA-N 1 0 452.647 4.119 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001315734576 1065035301 /nfs/dbraw/zinc/03/53/01/1065035301.db2.gz JFMZBRYXZPQKIM-ZILOHOTNSA-N 1 0 455.647 4.067 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001315736240 1065038269 /nfs/dbraw/zinc/03/82/69/1065038269.db2.gz NUSCKTWIHUWFKV-HSZRJFAPSA-N 1 0 469.674 4.457 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001315738242 1065042894 /nfs/dbraw/zinc/04/28/94/1065042894.db2.gz XSCVGVDKZTTZQK-CNNODRBYSA-N 1 0 476.065 4.492 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001315738267 1065043624 /nfs/dbraw/zinc/04/36/24/1065043624.db2.gz XZRXNNCESDPCMT-LYGMZBLVSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001315738266 1065043820 /nfs/dbraw/zinc/04/38/20/1065043820.db2.gz XZRXNNCESDPCMT-KNAFXUBQSA-N 1 0 499.700 4.223 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC[C@@H]1C ZINC001315738519 1065044676 /nfs/dbraw/zinc/04/46/76/1065044676.db2.gz YQPKYTZRIVSXJP-JTHBVZDNSA-N 1 0 455.647 4.149 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[C@@H]1C ZINC001315739586 1065046901 /nfs/dbraw/zinc/04/69/01/1065046901.db2.gz BVAPTLHKBHJUGB-DXBBTUNJSA-N 1 0 461.695 4.180 20 0 JIADRO CO[C@@H]1COCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315740521 1065048238 /nfs/dbraw/zinc/04/82/38/1065048238.db2.gz ZCEJZRKHBPUMKO-LADGPHEKSA-N 1 0 490.092 4.130 20 0 JIADRO CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1(C)C ZINC001315742098 1065051429 /nfs/dbraw/zinc/05/14/29/1065051429.db2.gz NBZYKKDIIBGAGG-GGAORHGYSA-N 1 0 487.714 4.097 20 0 JIADRO COCC(C)(C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001315757881 1065062875 /nfs/dbraw/zinc/06/28/75/1065062875.db2.gz PJTOUQSGSCPQSC-UHFFFAOYSA-N 1 0 476.065 4.352 20 0 JIADRO COCC(C)(C)CCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001315762071 1065075262 /nfs/dbraw/zinc/07/52/62/1065075262.db2.gz ZRYWKCSTTFULHA-YADHBBJMSA-N 1 0 455.647 4.291 20 0 JIADRO COCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001315762731 1065076990 /nfs/dbraw/zinc/07/69/90/1065076990.db2.gz MXWLENZOCXFIHR-IRXDYDNUSA-N 1 0 492.462 4.062 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001315780030 1065110499 /nfs/dbraw/zinc/11/04/99/1065110499.db2.gz FVFMSDXHLXNLIW-FCHUYYIVSA-N 1 0 469.674 4.074 20 0 JIADRO COC[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001315781429 1065112569 /nfs/dbraw/zinc/11/25/69/1065112569.db2.gz KLDQWQSVMHYFCC-ICSRJNTNSA-N 1 0 495.499 4.139 20 0 JIADRO COC[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315789658 1065129176 /nfs/dbraw/zinc/12/91/76/1065129176.db2.gz RGZNWOHEOIJHKU-LEWJYISDSA-N 1 0 453.656 4.314 20 0 JIADRO COC[C@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001315818990 1065171076 /nfs/dbraw/zinc/17/10/76/1065171076.db2.gz VPDDRHKUGRVGDL-VQTJNVASSA-N 1 0 479.591 4.224 20 0 JIADRO COC[C@@H](F)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001315826995 1065183441 /nfs/dbraw/zinc/18/34/41/1065183441.db2.gz VTUWSQUIPSJYCA-UNMCSNQZSA-N 1 0 494.055 4.443 20 0 JIADRO COC[C@H](F)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001315826992 1065183452 /nfs/dbraw/zinc/18/34/52/1065183452.db2.gz VTUWSQUIPSJYCA-IFMALSPDSA-N 1 0 494.055 4.443 20 0 JIADRO COCC1(C)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315834135 1065206270 /nfs/dbraw/zinc/20/62/70/1065206270.db2.gz QIDMYRYWFXZHEG-QHCPKHFHSA-N 1 0 473.637 4.370 20 0 JIADRO COCC1(C)CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315834849 1065208938 /nfs/dbraw/zinc/20/89/38/1065208938.db2.gz OBGMHDWHQWNZHQ-QHCPKHFHSA-N 1 0 453.675 4.438 20 0 JIADRO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCCC1 ZINC001315841376 1065223778 /nfs/dbraw/zinc/22/37/78/1065223778.db2.gz ULJUCPHYBDPVKH-PKTZIBPZSA-N 1 0 488.721 4.104 20 0 JIADRO COCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCCC1 ZINC001315848513 1065241502 /nfs/dbraw/zinc/24/15/02/1065241502.db2.gz PLMVZSKICUVJJU-DEOSSOPVSA-N 1 0 483.701 4.319 20 0 JIADRO COCC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315861352 1065272709 /nfs/dbraw/zinc/27/27/09/1065272709.db2.gz AYQUZQJIPNZUQD-FQEVSTJZSA-N 1 0 471.621 4.462 20 0 JIADRO COCC1=CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001315861821 1065273197 /nfs/dbraw/zinc/27/31/97/1065273197.db2.gz JAVOOAMCVKTXDK-QFIPXVFZSA-N 1 0 451.615 4.080 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315878150 1065311029 /nfs/dbraw/zinc/31/10/29/1065311029.db2.gz CPURMEBSYWIONE-FDFHNCONSA-N 1 0 485.673 4.336 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001315878905 1065313603 /nfs/dbraw/zinc/31/36/03/1065313603.db2.gz ASRQBMIRLQLXIL-VWNXMTODSA-N 1 0 490.092 4.132 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001315880411 1065316534 /nfs/dbraw/zinc/31/65/34/1065316534.db2.gz AXSVFVYURZMSJB-GOSISDBHSA-N 1 0 481.483 4.407 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001315883607 1065324811 /nfs/dbraw/zinc/32/48/11/1065324811.db2.gz HYPFHBGCNMEFJU-NFBKMPQASA-N 1 0 455.647 4.327 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001315887006 1065336982 /nfs/dbraw/zinc/33/69/82/1065336982.db2.gz YOPASDNPPXLPJW-JOCHJYFZSA-N 1 0 461.695 4.153 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001315887647 1065339385 /nfs/dbraw/zinc/33/93/85/1065339385.db2.gz YQASGRKEJLJWOW-HXUWFJFHSA-N 1 0 476.065 4.087 20 0 JIADRO COC[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001315888463 1065342330 /nfs/dbraw/zinc/34/23/30/1065342330.db2.gz YXFHOECUUOFNCP-OAQYLSRUSA-N 1 0 473.637 4.371 20 0 JIADRO COC[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001315892025 1065351966 /nfs/dbraw/zinc/35/19/66/1065351966.db2.gz VAUIZZMJAHTTTF-GOTSBHOMSA-N 1 0 485.673 4.009 20 0 JIADRO COC[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001315892028 1065351995 /nfs/dbraw/zinc/35/19/95/1065351995.db2.gz VAUIZZMJAHTTTF-PKTZIBPZSA-N 1 0 485.673 4.009 20 0 JIADRO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCCC2)C1 ZINC001315892693 1065353767 /nfs/dbraw/zinc/35/37/67/1065353767.db2.gz WVZFFCIFEAPSCM-NHCUHLMSSA-N 1 0 459.610 4.296 20 0 JIADRO COC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001315898945 1065368687 /nfs/dbraw/zinc/36/86/87/1065368687.db2.gz OBCFVIIWQBFEKB-VGSWGCGISA-N 1 0 475.609 4.374 20 0 JIADRO COCC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001315903141 1065381790 /nfs/dbraw/zinc/38/17/90/1065381790.db2.gz REFBJLVUJQRJDB-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO COC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCC[NH+]2CCCCC2)C1 ZINC001315903313 1065382467 /nfs/dbraw/zinc/38/24/67/1065382467.db2.gz BGXRWINLEDIVKZ-IBGZPJMESA-N 1 0 493.494 4.175 20 0 JIADRO COC[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315904580 1065385189 /nfs/dbraw/zinc/38/51/89/1065385189.db2.gz GCXHGAVMDCZWCT-UWJYYQICSA-N 1 0 493.494 4.029 20 0 JIADRO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315903966 1065385217 /nfs/dbraw/zinc/38/52/17/1065385217.db2.gz FJQHUGBGOPIPQY-SFHVURJKSA-N 1 0 493.494 4.173 20 0 JIADRO COC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001315908689 1065397330 /nfs/dbraw/zinc/39/73/30/1065397330.db2.gz DKNLAXTWPGGNSG-SFHVURJKSA-N 1 0 462.038 4.202 20 0 JIADRO COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315914155 1065409919 /nfs/dbraw/zinc/40/99/19/1065409919.db2.gz OGTNIEOYVAOPIH-JOCHJYFZSA-N 1 0 475.609 4.374 20 0 JIADRO COCC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315921562 1065428856 /nfs/dbraw/zinc/42/88/56/1065428856.db2.gz RHHOOVPHQMHXCN-FGZHOGPDSA-N 1 0 469.674 4.055 20 0 JIADRO COCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315922114 1065431240 /nfs/dbraw/zinc/43/12/40/1065431240.db2.gz LBHKAMMTKMZYLV-GMAHTHKFSA-N 1 0 469.674 4.457 20 0 JIADRO COC[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001315922349 1065432017 /nfs/dbraw/zinc/43/20/17/1065432017.db2.gz ZNIQNDCDMVGLFM-LSCGWGKXSA-N 1 0 453.675 4.437 20 0 JIADRO COC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315922679 1065432860 /nfs/dbraw/zinc/43/28/60/1065432860.db2.gz NKJUWSPPCIFCEO-DHLKQENFSA-N 1 0 469.674 4.457 20 0 JIADRO COC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315923264 1065433610 /nfs/dbraw/zinc/43/36/10/1065433610.db2.gz UGVDVAIJEZDQNI-XZOQPEGZSA-N 1 0 455.647 4.211 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001315927281 1065440682 /nfs/dbraw/zinc/44/06/82/1065440682.db2.gz HYPITSWDVKSRPF-SBHAEUEKSA-N 1 0 475.703 4.102 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001315930921 1065450456 /nfs/dbraw/zinc/45/04/56/1065450456.db2.gz HTUPUXIZFWWHCW-BJLQDIEVSA-N 1 0 496.483 4.472 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001315931561 1065452032 /nfs/dbraw/zinc/45/20/32/1065452032.db2.gz JRJQEIQVCWCLMJ-HKUYNNGSSA-N 1 0 482.456 4.226 20 0 JIADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001315932938 1065456580 /nfs/dbraw/zinc/45/65/80/1065456580.db2.gz MDABLVJSZXEQAE-UGKGYDQZSA-N 1 0 462.038 4.105 20 0 JIADRO COC[C@H]1CN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001315935320 1065463838 /nfs/dbraw/zinc/46/38/38/1065463838.db2.gz WKGGAMQIVOUWMX-PZJWPPBQSA-N 1 0 494.080 4.128 20 0 JIADRO COC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001315947243 1065482272 /nfs/dbraw/zinc/48/22/72/1065482272.db2.gz FSSUTOBPXCOSAU-VABKMULXSA-N 1 0 487.714 4.098 20 0 JIADRO COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001315950470 1065487266 /nfs/dbraw/zinc/48/72/66/1065487266.db2.gz XAYVEKYKCWTQPJ-QPPBQGQZSA-N 1 0 469.674 4.141 20 0 JIADRO 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)SC ZINC001316270003 1066013305 /nfs/dbraw/zinc/01/33/05/1066013305.db2.gz HLUDHYVYRFCXEP-VABKMULXSA-N 1 0 487.714 4.245 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316274674 1066025239 /nfs/dbraw/zinc/02/52/39/1066025239.db2.gz OCFAQEKBKSTHMS-QRICJDHISA-N 1 0 476.065 4.412 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001316275492 1066027105 /nfs/dbraw/zinc/02/71/05/1066027105.db2.gz BAYBQYLOTYIMET-BDTNDASRSA-N 1 0 455.628 4.003 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC(C)(C)C(F)(F)F ZINC001316286388 1066043383 /nfs/dbraw/zinc/04/33/83/1066043383.db2.gz CZGJKEMWRUQLNE-OALUTQOASA-N 1 0 475.600 4.147 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](SC)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001316291056 1066050701 /nfs/dbraw/zinc/05/07/01/1066050701.db2.gz GYJYHDMONUUARY-HJOGWXRNSA-N 1 0 493.762 4.482 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001316291101 1066051221 /nfs/dbraw/zinc/05/12/21/1066051221.db2.gz HXKOXJOOHLLCRE-ZJZGAYNASA-N 1 0 455.647 4.238 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(C)C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001316292511 1066053735 /nfs/dbraw/zinc/05/37/35/1066053735.db2.gz XUHVMMFCKQLQPS-HJOGWXRNSA-N 1 0 461.695 4.387 20 0 JIADRO CON(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001316303183 1066063178 /nfs/dbraw/zinc/06/31/78/1066063178.db2.gz NAQLVAHASGEHDQ-GHTZIAJQSA-N 1 0 468.627 4.289 20 0 JIADRO CON(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001316303663 1066064294 /nfs/dbraw/zinc/06/42/94/1066064294.db2.gz ZAOOQSDJPAOICG-GJZGRUSLSA-N 1 0 450.008 4.310 20 0 JIADRO CON(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316304083 1066064661 /nfs/dbraw/zinc/06/46/61/1066064661.db2.gz CEBKZQMDWHSTQT-FQEVSTJZSA-N 1 0 453.568 4.479 20 0 JIADRO CON(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001316306188 1066066039 /nfs/dbraw/zinc/06/60/39/1066066039.db2.gz XVHYEFFCCYHQAZ-UHFFFAOYSA-N 1 0 457.376 4.017 20 0 JIADRO CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001316310221 1066067114 /nfs/dbraw/zinc/06/71/14/1066067114.db2.gz JJAZXQCNYXDLTG-UHFFFAOYSA-N 1 0 484.645 4.034 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001316315591 1066072126 /nfs/dbraw/zinc/07/21/26/1066072126.db2.gz QSRPHVDSIMMRAE-GHTZIAJQSA-N 1 0 455.006 4.129 20 0 JIADRO CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001316317810 1066073522 /nfs/dbraw/zinc/07/35/22/1066073522.db2.gz ALXYMFNMGKNDCM-LJQANCHMSA-N 1 0 450.052 4.325 20 0 JIADRO CO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001316328230 1066084259 /nfs/dbraw/zinc/08/42/59/1066084259.db2.gz ICIUGSDNSWOYHC-XPNTWCBSSA-N 1 0 455.647 4.067 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC[N@H+](C)C(C)C)C[C@@H]1OC ZINC001316332145 1066088516 /nfs/dbraw/zinc/08/85/16/1066088516.db2.gz YXHCKZATJLSIMR-BGYRXZFFSA-N 1 0 473.618 4.003 20 0 JIADRO CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316371485 1066121588 /nfs/dbraw/zinc/12/15/88/1066121588.db2.gz BKZORNQQVAPEIZ-LJQANCHMSA-N 1 0 458.676 4.209 20 0 JIADRO CSC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001316371792 1066123067 /nfs/dbraw/zinc/12/30/67/1066123067.db2.gz NDLLVOKYFBLUCU-UHFFFAOYSA-N 1 0 450.656 4.036 20 0 JIADRO CS[C@H](C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001316374421 1066132130 /nfs/dbraw/zinc/13/21/30/1066132130.db2.gz DKOOYWHAMUHISE-LJQANCHMSA-N 1 0 455.628 4.399 20 0 JIADRO CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001316382550 1066151015 /nfs/dbraw/zinc/15/10/15/1066151015.db2.gz PRTFYQXOZRHAKX-IFMALSPDSA-N 1 0 450.656 4.358 20 0 JIADRO CS[C@H](C)Cn1c(CC2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001316382477 1066151536 /nfs/dbraw/zinc/15/15/36/1066151536.db2.gz HJONTJVKXOLAQR-OAQYLSRUSA-N 1 0 456.704 4.021 20 0 JIADRO CS[C@@H](C)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001316383101 1066152250 /nfs/dbraw/zinc/15/22/50/1066152250.db2.gz LFULJAQUULBCAO-REWPJTCUSA-N 1 0 450.656 4.116 20 0 JIADRO CS[C@H](Cn1c(C2CC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)C(C)(C)C ZINC001316394619 1066170664 /nfs/dbraw/zinc/17/06/64/1066170664.db2.gz ZXQLSIVHWQFTAH-QGZVFWFLSA-N 1 0 463.614 4.024 20 0 JIADRO CS[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC001316395753 1066172168 /nfs/dbraw/zinc/17/21/68/1066172168.db2.gz QDMHKOLPTAKFDV-HXUWFJFHSA-N 1 0 469.703 4.215 20 0 JIADRO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001316395781 1066172407 /nfs/dbraw/zinc/17/24/07/1066172407.db2.gz QNFSHNHJSJPBSJ-XMMPIXPASA-N 1 0 478.710 4.406 20 0 JIADRO CSC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(C)C)C2)CC[NH+](C)CC1 ZINC001316398418 1066176045 /nfs/dbraw/zinc/17/60/45/1066176045.db2.gz ASEJTHHSEHRDSZ-NRFANRHFSA-N 1 0 484.714 4.457 20 0 JIADRO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001316400746 1066178301 /nfs/dbraw/zinc/17/83/01/1066178301.db2.gz WEPALOCIOXTENI-QFIPXVFZSA-N 1 0 474.719 4.380 20 0 JIADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(OC(C)C)CC2)CC[NH+](C)CC1 ZINC001316406494 1066189472 /nfs/dbraw/zinc/18/94/72/1066189472.db2.gz DWQMNCIDRLKWSW-UHFFFAOYSA-N 1 0 475.678 4.229 20 0 JIADRO CSC1(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC001316406650 1066189838 /nfs/dbraw/zinc/18/98/38/1066189838.db2.gz URSBUSCIZDXWQY-SFHVURJKSA-N 1 0 482.069 4.428 20 0 JIADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC[NH+](C)CC1 ZINC001316406853 1066189928 /nfs/dbraw/zinc/18/99/28/1066189928.db2.gz ILBVWMCLMHBUKE-HXUWFJFHSA-N 1 0 492.778 4.071 20 0 JIADRO CSC1(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccc(C)c2)CC[NH+](C)CC1 ZINC001316409074 1066193980 /nfs/dbraw/zinc/19/39/80/1066193980.db2.gz UXZPZZJSMLRIRS-UHFFFAOYSA-N 1 0 450.656 4.036 20 0 JIADRO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCSC2)CC[NH+](C)CC1 ZINC001316409463 1066194703 /nfs/dbraw/zinc/19/47/03/1066194703.db2.gz CBKKHJOAJUQUHG-SFHVURJKSA-N 1 0 482.119 4.280 20 0 JIADRO CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@H]2C)CC[NH+](C)CC1 ZINC001316409581 1066195348 /nfs/dbraw/zinc/19/53/48/1066195348.db2.gz KDLXRTHDCBUOAD-HXUWFJFHSA-N 1 0 475.728 4.243 20 0 JIADRO Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001492498593 1066222512 /nfs/dbraw/zinc/22/25/12/1066222512.db2.gz LHVBKDVSKWHETE-IBGZPJMESA-N 1 0 459.598 4.410 20 0 JIADRO CSc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001316419710 1066222588 /nfs/dbraw/zinc/22/25/88/1066222588.db2.gz IKNXGVVNSFZIGW-UHFFFAOYSA-N 1 0 498.722 4.201 20 0 JIADRO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324857422 1066230950 /nfs/dbraw/zinc/23/09/50/1066230950.db2.gz JJTZTPJVZIQQKE-WMZOPIPTSA-N 1 0 468.648 4.382 20 0 JIADRO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001324875348 1066231834 /nfs/dbraw/zinc/23/18/34/1066231834.db2.gz ZGSQASQNMWRSNC-VYKTZEHYSA-N 1 0 491.632 4.193 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316423575 1066236414 /nfs/dbraw/zinc/23/64/14/1066236414.db2.gz OXVXRZQKQVRFGR-WIYYLYMNSA-N 1 0 495.640 4.237 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc4c(c3)OCCO4)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492499013 1066238855 /nfs/dbraw/zinc/23/88/55/1066238855.db2.gz AJQRIMICCIUGQO-OAQYLSRUSA-N 1 0 464.614 4.032 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001316425284 1066242463 /nfs/dbraw/zinc/24/24/63/1066242463.db2.gz PMORRSNAANQIFV-LJQANCHMSA-N 1 0 467.687 4.230 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)C1 ZINC001316425356 1066242539 /nfs/dbraw/zinc/24/25/39/1066242539.db2.gz GLWVZALAZXHHLB-NHCUHLMSSA-N 1 0 492.734 4.210 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001316425614 1066244243 /nfs/dbraw/zinc/24/42/43/1066244243.db2.gz BVFRNNJSLORDHQ-QFIPXVFZSA-N 1 0 466.655 4.051 20 0 JIADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)cc2)CC1 ZINC001325418597 1066248231 /nfs/dbraw/zinc/24/82/31/1066248231.db2.gz JTMHLHUCEYNEJO-UHFFFAOYSA-N 1 0 474.483 4.059 20 0 JIADRO CS[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001316427525 1066251974 /nfs/dbraw/zinc/25/19/74/1066251974.db2.gz JLMPSNXBJSHZPS-OALUTQOASA-N 1 0 460.673 4.252 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001316427869 1066252882 /nfs/dbraw/zinc/25/28/82/1066252882.db2.gz LIJAUQQEEIKYLB-PKTZIBPZSA-N 1 0 468.646 4.428 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001316429354 1066259518 /nfs/dbraw/zinc/25/95/18/1066259518.db2.gz XUQBNQBYHYFLCP-BJKOFHAPSA-N 1 0 471.715 4.142 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC([C@H]4c5ccccc5NC4=O)CC3)c(C)c2)CC1 ZINC001325703141 1066264232 /nfs/dbraw/zinc/26/42/32/1066264232.db2.gz FLAKZWMNDZMYFU-VWLOTQADSA-N 1 0 461.610 4.117 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3Br)n2CC[NH+]2CCCC2)n1 ZINC001492499788 1066274614 /nfs/dbraw/zinc/27/46/14/1066274614.db2.gz HQJWEJPFVYZMHU-UHFFFAOYSA-N 1 0 455.404 4.143 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)C(C)C ZINC001316433864 1066279858 /nfs/dbraw/zinc/27/98/58/1066279858.db2.gz KXKDAYHSJIYRMV-KRWDZBQOSA-N 1 0 469.497 4.108 20 0 JIADRO COc1ccc([C@@H](NC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC001326128139 1066285625 /nfs/dbraw/zinc/28/56/25/1066285625.db2.gz DDCWKYOKBHHDNC-MHZLTWQESA-N 1 0 476.596 4.171 20 0 JIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001326427678 1066296814 /nfs/dbraw/zinc/29/68/14/1066296814.db2.gz APCVETIXPRUREU-UHFFFAOYSA-N 1 0 457.578 4.321 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001316440020 1066296843 /nfs/dbraw/zinc/29/68/43/1066296843.db2.gz PQUFIQXKJZBSFB-QHAWAJNXSA-N 1 0 492.734 4.065 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001316442078 1066303511 /nfs/dbraw/zinc/30/35/11/1066303511.db2.gz OCDVAZHUGQTBFO-ICSRJNTNSA-N 1 0 450.052 4.183 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001316443981 1066310256 /nfs/dbraw/zinc/31/02/56/1066310256.db2.gz HARWFHMTUMNZKC-GHTZIAJQSA-N 1 0 484.670 4.195 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316445043 1066313085 /nfs/dbraw/zinc/31/30/85/1066313085.db2.gz DGVIZNIQJDHQJD-VQTJNVASSA-N 1 0 468.671 4.039 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3occc3NC(=O)OC(C)(C)C)C2)ccn1 ZINC001328455454 1066324066 /nfs/dbraw/zinc/32/40/66/1066324066.db2.gz HPPUMLCDYXQYTE-LJQANCHMSA-N 1 0 458.559 4.155 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001316448778 1066324888 /nfs/dbraw/zinc/32/48/88/1066324888.db2.gz QXFRKHQHWXPTLY-PMVMPFDFSA-N 1 0 457.688 4.415 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001316450396 1066329073 /nfs/dbraw/zinc/32/90/73/1066329073.db2.gz MCGWFABZQUYSTC-LJQANCHMSA-N 1 0 480.122 4.335 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001492507962 1066331827 /nfs/dbraw/zinc/33/18/27/1066331827.db2.gz DRICGQKFRWOEAE-NNWRFLSQSA-N 1 0 497.688 4.120 20 0 JIADRO CSCCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316451996 1066334132 /nfs/dbraw/zinc/33/41/32/1066334132.db2.gz QDWSBSNGCQZFAM-UHFFFAOYSA-N 1 0 464.079 4.433 20 0 JIADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[NH+]1CCC(C)CC1 ZINC001316453158 1066337187 /nfs/dbraw/zinc/33/71/87/1066337187.db2.gz ZAUVVEXFBDKMPO-UGKGYDQZSA-N 1 0 459.660 4.100 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3sc(-c4ccccc4)nc3C)cc2)CC1 ZINC001329383477 1066337943 /nfs/dbraw/zinc/33/79/43/1066337943.db2.gz QCHIIPSXEOCRKF-UHFFFAOYSA-N 1 0 464.591 4.056 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001492510079 1066339617 /nfs/dbraw/zinc/33/96/17/1066339617.db2.gz GXEYEGZTFCCAKP-HXUWFJFHSA-N 1 0 483.661 4.016 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492510629 1066341515 /nfs/dbraw/zinc/34/15/15/1066341515.db2.gz XSRNDMASRXIJIE-IRXDYDNUSA-N 1 0 465.429 4.047 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492511475 1066344865 /nfs/dbraw/zinc/34/48/65/1066344865.db2.gz ZOSGEBPNMXKDLE-OAQYLSRUSA-N 1 0 497.688 4.262 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001492511842 1066347303 /nfs/dbraw/zinc/34/73/03/1066347303.db2.gz MCLNIUVUGFWUMF-QHCPKHFHSA-N 1 0 495.716 4.292 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492511756 1066347857 /nfs/dbraw/zinc/34/78/57/1066347857.db2.gz INOXRQGJRGHKAX-OAQYLSRUSA-N 1 0 497.688 4.264 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492513336 1066352905 /nfs/dbraw/zinc/35/29/05/1066352905.db2.gz AIMYPVIWRZWESF-YADHBBJMSA-N 1 0 481.689 4.044 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001492514914 1066357226 /nfs/dbraw/zinc/35/72/26/1066357226.db2.gz WVILAAZOTONKSJ-NFBKMPQASA-N 1 0 495.697 4.002 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)ccn1 ZINC001331301372 1066358297 /nfs/dbraw/zinc/35/82/97/1066358297.db2.gz NRCVQQGCDRALEQ-XMMPIXPASA-N 1 0 494.636 4.053 20 0 JIADRO CSCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001316462889 1066360145 /nfs/dbraw/zinc/36/01/45/1066360145.db2.gz JWYSQOZTVFZCPV-GMAHTHKFSA-N 1 0 457.688 4.416 20 0 JIADRO CSCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001316464481 1066363135 /nfs/dbraw/zinc/36/31/35/1066363135.db2.gz BJIFJOCYWVEFDG-INIZCTEOSA-N 1 0 464.477 4.381 20 0 JIADRO CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001316466852 1066370792 /nfs/dbraw/zinc/37/07/92/1066370792.db2.gz VGLFZIOUIHTSHU-FQEVSTJZSA-N 1 0 484.533 4.334 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492517420 1066372333 /nfs/dbraw/zinc/37/23/33/1066372333.db2.gz SBJHMFIXJHZZPK-IRFCIJBXSA-N 1 0 493.622 4.089 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001492517389 1066372444 /nfs/dbraw/zinc/37/24/44/1066372444.db2.gz QYKPIGPDGZDIPS-NRFANRHFSA-N 1 0 497.669 4.070 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517422 1066372599 /nfs/dbraw/zinc/37/25/99/1066372599.db2.gz SBJHMFIXJHZZPK-SVFBPWRDSA-N 1 0 493.622 4.089 20 0 JIADRO CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001316472448 1066379798 /nfs/dbraw/zinc/37/97/98/1066379798.db2.gz FCDWBCHIVUFEKM-UHFFFAOYSA-N 1 0 489.487 4.419 20 0 JIADRO Cc1cccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCSC(C)C)n1 ZINC001492519127 1066381774 /nfs/dbraw/zinc/38/17/74/1066381774.db2.gz DCDSKDBVXQVPBP-UHFFFAOYSA-N 1 0 456.685 4.216 20 0 JIADRO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CC[NH+](C(C)(C)C)CC1 ZINC001334169617 1066394273 /nfs/dbraw/zinc/39/42/73/1066394273.db2.gz GSXMTESZIDWQMI-UHFFFAOYSA-N 1 0 450.004 4.210 20 0 JIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)ccc1OC ZINC001334512983 1066396801 /nfs/dbraw/zinc/39/68/01/1066396801.db2.gz GWNPKLRYTMLTQV-UHFFFAOYSA-N 1 0 463.582 4.192 20 0 JIADRO C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1O ZINC001316485396 1066405890 /nfs/dbraw/zinc/40/58/90/1066405890.db2.gz UIJWJLCCTBPGEC-YSZBQJHXSA-N 1 0 460.066 4.240 20 0 JIADRO Cc1cccc(CCCn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001492526651 1066416682 /nfs/dbraw/zinc/41/66/82/1066416682.db2.gz HDUBNNMNGRSLCC-UHFFFAOYSA-N 1 0 461.658 4.158 20 0 JIADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316489066 1066419057 /nfs/dbraw/zinc/41/90/57/1066419057.db2.gz GFJVPQBIPLBSOT-ATLSCFEFSA-N 1 0 457.566 4.171 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1nc(C(C)(C)C)cs1 ZINC001316492649 1066432259 /nfs/dbraw/zinc/43/22/59/1066432259.db2.gz PKPHMTLBVVXJDA-QGZVFWFLSA-N 1 0 460.692 4.067 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(F)(F)F ZINC001316495878 1066442933 /nfs/dbraw/zinc/44/29/33/1066442933.db2.gz GSIWTFXFKVYBFQ-LJQANCHMSA-N 1 0 458.532 4.317 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)c2)CC1 ZINC001336773639 1066447473 /nfs/dbraw/zinc/44/74/73/1066447473.db2.gz LPESIHLKBKLBKU-UHFFFAOYSA-N 1 0 489.542 4.123 20 0 JIADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316498691 1066455322 /nfs/dbraw/zinc/45/53/22/1066455322.db2.gz WBWIOKGHNFRWTJ-IFMALSPDSA-N 1 0 474.694 4.236 20 0 JIADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001316498747 1066455389 /nfs/dbraw/zinc/45/53/89/1066455389.db2.gz XZRMDDOHISTYPR-LJQANCHMSA-N 1 0 462.683 4.235 20 0 JIADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC001316501910 1066462636 /nfs/dbraw/zinc/46/26/36/1066462636.db2.gz YFMKOUYPALLDAU-OYRHEFFESA-N 1 0 498.622 4.175 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(C)(C)O ZINC001316504100 1066472813 /nfs/dbraw/zinc/47/28/13/1066472813.db2.gz KDIMFJIDUVBHQG-NRFANRHFSA-N 1 0 499.700 4.005 20 0 JIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1cc(Br)cs1 ZINC001316504058 1066473046 /nfs/dbraw/zinc/47/30/46/1066473046.db2.gz HWSYLYRQHODXDD-INIZCTEOSA-N 1 0 496.519 4.429 20 0 JIADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001316514280 1066505517 /nfs/dbraw/zinc/50/55/17/1066505517.db2.gz GWZJAGRCCNPMDY-QGZVFWFLSA-N 1 0 465.511 4.072 20 0 JIADRO FC(F)(F)CO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001316514628 1066507118 /nfs/dbraw/zinc/50/71/18/1066507118.db2.gz LIADSLWZUBSVOM-SFHVURJKSA-N 1 0 489.995 4.195 20 0 JIADRO FC(F)C(F)(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316516790 1066514938 /nfs/dbraw/zinc/51/49/38/1066514938.db2.gz OCWPHTZKRVCZKH-KRWDZBQOSA-N 1 0 475.918 4.190 20 0 JIADRO Fc1ccc(Cc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)cc1 ZINC001316524138 1066535284 /nfs/dbraw/zinc/53/52/84/1066535284.db2.gz WGVZLSIQSGKNDZ-GOSISDBHSA-N 1 0 457.541 4.326 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 ZINC001338544081 1066563223 /nfs/dbraw/zinc/56/32/23/1066563223.db2.gz UCIHGPVNPZWFBT-FIBWVYCGSA-N 1 0 496.655 4.235 20 0 JIADRO C[C@]1(c2cccc(C[NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)c2)NC(=O)NC1=O ZINC001338751809 1066570394 /nfs/dbraw/zinc/57/03/94/1066570394.db2.gz SIBQTPGJYGYFBM-JOCHJYFZSA-N 1 0 454.324 4.054 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492537627 1066593917 /nfs/dbraw/zinc/59/39/17/1066593917.db2.gz DHNQMMZVPAZHEJ-HDICACEKSA-N 1 0 469.552 4.052 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492537468 1066594046 /nfs/dbraw/zinc/59/40/46/1066594046.db2.gz YZWFIPPHCWVQKY-GMAHTHKFSA-N 1 0 467.614 4.313 20 0 JIADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316589622 1066618589 /nfs/dbraw/zinc/61/85/89/1066618589.db2.gz VYQRXCBVOSFAEJ-INIZCTEOSA-N 1 0 474.383 4.334 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001492540617 1066636361 /nfs/dbraw/zinc/63/63/61/1066636361.db2.gz USURSLLTXCOTBF-VXKWHMMOSA-N 1 0 455.647 4.434 20 0 JIADRO CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nn(CN2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC001317705356 1066638303 /nfs/dbraw/zinc/63/83/03/1066638303.db2.gz YVCFZLANTRSJDV-CTNGQTDRSA-N 1 0 489.711 4.355 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542055 1066653323 /nfs/dbraw/zinc/65/33/23/1066653323.db2.gz KSEMWCOBOGJMDA-YADHBBJMSA-N 1 0 498.672 4.095 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001492543231 1066664785 /nfs/dbraw/zinc/66/47/85/1066664785.db2.gz DZAGKDJIECQEFT-YADHBBJMSA-N 1 0 455.647 4.338 20 0 JIADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC001347076231 1066673735 /nfs/dbraw/zinc/67/37/35/1066673735.db2.gz RJAGFQNSDORLNN-ZWEKWIFMSA-N 1 0 464.606 4.067 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)c1 ZINC001492543855 1066676162 /nfs/dbraw/zinc/67/61/62/1066676162.db2.gz ZVGTXQFACOJJNK-QFIPXVFZSA-N 1 0 498.672 4.097 20 0 JIADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C[NH+]3CCCC3)c1)C2=O ZINC001317804061 1066698699 /nfs/dbraw/zinc/69/86/99/1066698699.db2.gz UPILKOKRFNZZDO-UHFFFAOYSA-N 1 0 454.615 4.138 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)c(C)c2)CC1 ZINC001347797444 1066700946 /nfs/dbraw/zinc/70/09/46/1066700946.db2.gz MZXJGFOMTAEYLS-HFZDXXHNSA-N 1 0 456.631 4.113 20 0 JIADRO CC1=C(C(=O)N(C)C)[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)NC(=S)N1c1ccccc1F ZINC001317815969 1066705430 /nfs/dbraw/zinc/70/54/30/1066705430.db2.gz URDGTJIMMNIZGA-XMMPIXPASA-N 1 0 482.625 4.098 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492544697 1066708702 /nfs/dbraw/zinc/70/87/02/1066708702.db2.gz WDQNSFACTSGVBF-OALUTQOASA-N 1 0 451.537 4.429 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1N1CCCC1=O ZINC001317830240 1066716126 /nfs/dbraw/zinc/71/61/26/1066716126.db2.gz UZNIVRKMRQIDDK-PMACEKPBSA-N 1 0 450.583 4.053 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842755 1066725301 /nfs/dbraw/zinc/72/53/01/1066725301.db2.gz LKOWEOSJNPNTFX-SFTDATJTSA-N 1 0 454.590 4.488 20 0 JIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cn3c(Br)cnc3s2)c2cccs2)CC1 ZINC001348257805 1066731230 /nfs/dbraw/zinc/73/12/30/1066731230.db2.gz JGTSKPGOOVIGGB-ZDUSSCGKSA-N 1 0 453.431 4.423 20 0 JIADRO Cc1cc(NC(=O)c2nn(-c3ccccc3F)cc2Br)ccc1N1CC[NH+](C)CC1 ZINC001317851351 1066733039 /nfs/dbraw/zinc/73/30/39/1066733039.db2.gz VUSIXDQBXKAGOJ-UHFFFAOYSA-N 1 0 472.362 4.086 20 0 JIADRO CCOc1ccc(-n2c3nnc(CN4CC[NH+](C(C)(C)C)CC4)n3c3cc(Cl)ccc3c2=O)cc1 ZINC001348453297 1066746405 /nfs/dbraw/zinc/74/64/05/1066746405.db2.gz BBTHOSWJDIOYJU-UHFFFAOYSA-N 1 0 495.027 4.002 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001492545689 1066755870 /nfs/dbraw/zinc/75/58/70/1066755870.db2.gz NRBKYGKGJBRPKY-QHCPKHFHSA-N 1 0 496.700 4.029 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1)[NH+]1CCCCC1 ZINC001317886774 1066755921 /nfs/dbraw/zinc/75/59/21/1066755921.db2.gz QMNQVNRXDPQKRI-HSZRJFAPSA-N 1 0 450.583 4.479 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001492546081 1066768773 /nfs/dbraw/zinc/76/87/73/1066768773.db2.gz OXUXBKYLHOQEHU-HFZDXXHNSA-N 1 0 455.647 4.027 20 0 JIADRO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001317904138 1066773807 /nfs/dbraw/zinc/77/38/07/1066773807.db2.gz JVZYWLIOALOIPE-WOJBJXKFSA-N 1 0 462.594 4.407 20 0 JIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001348898366 1066787298 /nfs/dbraw/zinc/78/72/98/1066787298.db2.gz HIZLMSSDBQSQOY-DEOSSOPVSA-N 1 0 460.578 4.336 20 0 JIADRO COc1ccc(Br)cc1C1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC001349117320 1066810996 /nfs/dbraw/zinc/81/09/96/1066810996.db2.gz PLCVUZGGRGFRCQ-UHFFFAOYSA-N 1 0 458.400 4.188 20 0 JIADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)ccc1Cl ZINC001349271515 1066825607 /nfs/dbraw/zinc/82/56/07/1066825607.db2.gz PLHLLENEIAYCEY-NRFANRHFSA-N 1 0 452.020 4.392 20 0 JIADRO Cc1cc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1N1CC[NH+](C)CC1 ZINC001318002837 1066845246 /nfs/dbraw/zinc/84/52/46/1066845246.db2.gz LRABGYKROXIXCA-IBGZPJMESA-N 1 0 486.458 4.157 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCSCC(C)C)c1 ZINC001492546976 1066857234 /nfs/dbraw/zinc/85/72/34/1066857234.db2.gz JVKUKWKLOKBUBM-JOCHJYFZSA-N 1 0 487.714 4.244 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001318027565 1066859019 /nfs/dbraw/zinc/85/90/19/1066859019.db2.gz KWNOGWJPYSBOLH-OAQYLSRUSA-N 1 0 450.627 4.395 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 ZINC001318059371 1066876551 /nfs/dbraw/zinc/87/65/51/1066876551.db2.gz VOFNVAZYDMDMKY-NRFANRHFSA-N 1 0 462.594 4.077 20 0 JIADRO COc1ccccc1[C@@H]1[C@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061790 1066878777 /nfs/dbraw/zinc/87/87/77/1066878777.db2.gz PFZILHOXNNIEAO-CAKYRVLISA-N 1 0 461.606 4.185 20 0 JIADRO Cc1sc(-n2cccc2)c(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1C ZINC001318077787 1066888108 /nfs/dbraw/zinc/88/81/08/1066888108.db2.gz MLVGTMNYOUJUJD-JOCHJYFZSA-N 1 0 463.651 4.225 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)CC2)cc1 ZINC001318083473 1066891489 /nfs/dbraw/zinc/89/14/89/1066891489.db2.gz ZAZKCHBRCXYSFR-UHFFFAOYSA-N 1 0 461.463 4.082 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001349910469 1066895063 /nfs/dbraw/zinc/89/50/63/1066895063.db2.gz KLIHMARTFOISSS-UHFFFAOYSA-N 1 0 452.574 4.495 20 0 JIADRO COc1ccc(-n2c(=S)n(CN3CCC[N@@H+]4CCC[C@H]4C3)nc2-c2cccc(OC)c2)cc1 ZINC001318093984 1066895995 /nfs/dbraw/zinc/89/59/95/1066895995.db2.gz AINNVNXGGIBBQR-NRFANRHFSA-N 1 0 465.623 4.215 20 0 JIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2Br)CC1 ZINC001349940729 1066899352 /nfs/dbraw/zinc/89/93/52/1066899352.db2.gz NCJNRJMWNXTCLB-UHFFFAOYSA-N 1 0 453.178 4.216 20 0 JIADRO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)c(C)c1C ZINC001318108577 1066903626 /nfs/dbraw/zinc/90/36/26/1066903626.db2.gz VQKZIVHZDPTMPZ-DEOSSOPVSA-N 1 0 469.651 4.340 20 0 JIADRO C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318111998 1066905693 /nfs/dbraw/zinc/90/56/93/1066905693.db2.gz SBJXASOXBAYFCZ-CQSZACIVSA-N 1 0 484.797 4.250 20 0 JIADRO CCc1nc(COc2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)no1 ZINC001350070699 1066912075 /nfs/dbraw/zinc/91/20/75/1066912075.db2.gz DHHQZQUQUFDXSU-FQEVSTJZSA-N 1 0 454.596 4.476 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c2cccs2)CC1 ZINC001318196845 1066952684 /nfs/dbraw/zinc/95/26/84/1066952684.db2.gz SWLKZGMMWKTZKJ-FGZHOGPDSA-N 1 0 454.640 4.125 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(Br)cc2F)C1 ZINC001318216369 1066965208 /nfs/dbraw/zinc/96/52/08/1066965208.db2.gz NLPJIMCOLHGCHD-INIZCTEOSA-N 1 0 469.420 4.440 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC001350501967 1066965883 /nfs/dbraw/zinc/96/58/83/1066965883.db2.gz UHFYXIYBWIFPJA-UHFFFAOYSA-N 1 0 450.514 4.337 20 0 JIADRO COCCN(C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001318226303 1066971351 /nfs/dbraw/zinc/97/13/51/1066971351.db2.gz NQCZRFVBUKLHOD-FQEVSTJZSA-N 1 0 492.586 4.372 20 0 JIADRO C[NH+]1CCN(C[C@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c2ccccc2)CC1 ZINC001318229316 1066973011 /nfs/dbraw/zinc/97/30/11/1066973011.db2.gz DKRWPVGMZHKHMO-NRFANRHFSA-N 1 0 455.027 4.106 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2Cl)CC1 ZINC001318266517 1066992072 /nfs/dbraw/zinc/99/20/72/1066992072.db2.gz SQCUAVVYOSYTBE-QFIPXVFZSA-N 1 0 484.044 4.298 20 0 JIADRO COc1ccc(-c2cc(NC(=O)N[C@@H](CN3CC[NH+](C)CC3)c3ccccc3)ccc2OC)cc1 ZINC001318270860 1066994692 /nfs/dbraw/zinc/99/46/92/1066994692.db2.gz UTTPXDIAWOSTRV-SANMLTNESA-N 1 0 474.605 4.481 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCc3cccc(COc4ccccc4)c3)c2)CC1 ZINC001318280770 1067000396 /nfs/dbraw/zinc/00/03/96/1067000396.db2.gz OBCSPFUIEKGGSP-UHFFFAOYSA-N 1 0 458.606 4.012 20 0 JIADRO CCc1cccc[n+]1C(C(=O)c1ccc(CCNC(C)=O)s1)C(=S)NCc1cccs1 ZINC001318298857 1067007241 /nfs/dbraw/zinc/00/72/41/1067007241.db2.gz VDVFJZAAEDXRLJ-UHFFFAOYSA-O 1 0 472.681 4.339 20 0 JIADRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305101 1067009072 /nfs/dbraw/zinc/00/90/72/1067009072.db2.gz BFJPSSAJAFKDHF-AUSIDOKSSA-N 1 0 477.432 4.451 20 0 JIADRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)[NH+]2CCCC2)cc1 ZINC001318308009 1067010383 /nfs/dbraw/zinc/01/03/83/1067010383.db2.gz DIKHQMVYJRHLIY-RUZDIDTESA-N 1 0 454.578 4.365 20 0 JIADRO COc1ccc(C(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccc(OC)cc2)cc1 ZINC001318314357 1067013063 /nfs/dbraw/zinc/01/30/63/1067013063.db2.gz BECIPSLSZSIJMA-UHFFFAOYSA-N 1 0 489.616 4.249 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)(C(F)(F)F)CC1 ZINC001350986307 1067028578 /nfs/dbraw/zinc/02/85/78/1067028578.db2.gz XWYDNWQKTKJFLE-MRXNPFEDSA-N 1 0 459.509 4.112 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300688600 1067033165 /nfs/dbraw/zinc/03/31/65/1067033165.db2.gz VWGYARYMMWNMEJ-OAQYLSRUSA-N 1 0 473.687 4.316 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCC[C@@H](C(F)(F)F)O3)c(C(F)(F)F)c2)CC1 ZINC001354671941 1067035703 /nfs/dbraw/zinc/03/57/03/1067035703.db2.gz DDVHZWFPCDKDKD-PBHICJAKSA-N 1 0 453.427 4.286 20 0 JIADRO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001318404002 1067038582 /nfs/dbraw/zinc/03/85/82/1067038582.db2.gz QHBFHDQAOSTEPM-VQTJNVASSA-N 1 0 450.004 4.052 20 0 JIADRO CN(C(=O)c1ccccc1NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC001318508338 1067049867 /nfs/dbraw/zinc/04/98/67/1067049867.db2.gz BNWMVHPLKYOTAQ-UHFFFAOYSA-N 1 0 463.626 4.165 20 0 JIADRO COC1CC[NH+](C2(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)CCCC2)CC1 ZINC001318598655 1067055626 /nfs/dbraw/zinc/05/56/26/1067055626.db2.gz OEPBEHJIEVHPEE-DEOSSOPVSA-N 1 0 465.642 4.032 20 0 JIADRO COc1ccc(C(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccc(OC)cc2)cc1 ZINC001319024492 1067063247 /nfs/dbraw/zinc/06/32/47/1067063247.db2.gz AJOYJYBAGFVINJ-UHFFFAOYSA-N 1 0 488.632 4.040 20 0 JIADRO CCn1c2ccccc2c2cc(CN(C)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)ccc21 ZINC001319026268 1067064705 /nfs/dbraw/zinc/06/47/05/1067064705.db2.gz UKIIMZOCFMZQFN-UHFFFAOYSA-N 1 0 470.621 4.303 20 0 JIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001354733426 1067067916 /nfs/dbraw/zinc/06/79/16/1067067916.db2.gz YDSGGZJEURPWPQ-KOUIYBMESA-N 1 0 457.977 4.025 20 0 JIADRO COc1cccc(CN(C(=O)CN2CC[NH+](C(C)(C)C)CC2)C23CC4CC(CC(C4)C2)C3)c1 ZINC001319269612 1067070893 /nfs/dbraw/zinc/07/08/93/1067070893.db2.gz IQWAIQOGYFAIHH-UHFFFAOYSA-N 1 0 453.671 4.409 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)CC1 ZINC001319463370 1067073817 /nfs/dbraw/zinc/07/38/17/1067073817.db2.gz JUHCBGZIUBOEGI-UHFFFAOYSA-N 1 0 469.010 4.337 20 0 JIADRO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1 ZINC001472836154 1067086820 /nfs/dbraw/zinc/08/68/20/1067086820.db2.gz ZNSRJQNDLLKLID-HXUWFJFHSA-N 1 0 453.384 4.331 20 0 JIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001321425808 1067125371 /nfs/dbraw/zinc/12/53/71/1067125371.db2.gz MMAGIUBJZSVDKC-QHCPKHFHSA-N 1 0 452.624 4.118 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cc(Br)ccc4OC)CC3)cc2)CC1 ZINC001351630005 1067151446 /nfs/dbraw/zinc/15/14/46/1067151446.db2.gz FJSZPYGRROTICG-UHFFFAOYSA-N 1 0 458.400 4.270 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC001321554787 1067165104 /nfs/dbraw/zinc/16/51/04/1067165104.db2.gz OTRGKYBEZGHZAJ-UHFFFAOYSA-N 1 0 461.532 4.379 20 0 JIADRO CC1(C)CN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001321585663 1067170865 /nfs/dbraw/zinc/17/08/65/1067170865.db2.gz RPZZOUVJRAGQAJ-UHFFFAOYSA-N 1 0 458.587 4.160 20 0 JIADRO CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001321630584 1067183042 /nfs/dbraw/zinc/18/30/42/1067183042.db2.gz ZDWFMXRHPXRHDH-JOCHJYFZSA-N 1 0 460.578 4.092 20 0 JIADRO C[N@H+](CCCOc1ccccc1CNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001354843919 1067183451 /nfs/dbraw/zinc/18/34/51/1067183451.db2.gz RQFNPBUTWTYDHB-UHFFFAOYSA-N 1 0 459.631 4.203 20 0 JIADRO CC(C)(C)n1cc(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(-c2ccccc2Cl)n1 ZINC001321654215 1067190802 /nfs/dbraw/zinc/19/08/02/1067190802.db2.gz NLFGLXHJIMFVJJ-RUZDIDTESA-N 1 0 465.985 4.303 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1 ZINC001321655395 1067191995 /nfs/dbraw/zinc/19/19/95/1067191995.db2.gz XCQRIDNLMZNDMS-UHFFFAOYSA-N 1 0 450.505 4.147 20 0 JIADRO CO[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(Br)s1 ZINC001351789973 1067206853 /nfs/dbraw/zinc/20/68/53/1067206853.db2.gz UTZXAZWFRSVYSM-GOSISDBHSA-N 1 0 455.443 4.428 20 0 JIADRO COc1cc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001321828285 1067215323 /nfs/dbraw/zinc/21/53/23/1067215323.db2.gz VXQQIFWCZBYFLZ-HDICACEKSA-N 1 0 460.619 4.055 20 0 JIADRO CC(C)C[N@@H+]1CC[C@H](NC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200805245 1067226179 /nfs/dbraw/zinc/22/61/79/1067226179.db2.gz ROXJCQLKDZGQAH-NSHDSACASA-N 1 0 453.219 4.367 20 0 JIADRO Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1N1CC[NH+](C)CC1 ZINC001321929165 1067228421 /nfs/dbraw/zinc/22/84/21/1067228421.db2.gz MHGLDMDJRHSBAF-GJZGRUSLSA-N 1 0 452.443 4.341 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492549819 1067250432 /nfs/dbraw/zinc/25/04/32/1067250432.db2.gz OSVLGPRZQIDCCI-VSKRKVRLSA-N 1 0 457.688 4.475 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001200814775 1067272054 /nfs/dbraw/zinc/27/20/54/1067272054.db2.gz QXYMTDHUFCQGLW-UHFFFAOYSA-N 1 0 456.443 4.179 20 0 JIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1Br ZINC001352034458 1067273487 /nfs/dbraw/zinc/27/34/87/1067273487.db2.gz TWSHVDRHQTYHGT-UHFFFAOYSA-N 1 0 453.384 4.338 20 0 JIADRO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001200815851 1067276000 /nfs/dbraw/zinc/27/60/00/1067276000.db2.gz ZEERDPIGPFMTLN-UHFFFAOYSA-N 1 0 457.471 4.263 20 0 JIADRO COC(=O)C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001354914612 1067278828 /nfs/dbraw/zinc/27/88/28/1067278828.db2.gz TYIWHSRRCKQTKZ-SFHVURJKSA-N 1 0 454.445 4.198 20 0 JIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001322351012 1067281518 /nfs/dbraw/zinc/28/15/18/1067281518.db2.gz SBXHRFHJOWNAAK-CEXWTWQISA-N 1 0 459.612 4.370 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001300757244 1067286764 /nfs/dbraw/zinc/28/67/64/1067286764.db2.gz FPBKMFCXHFGEEZ-UXHICEINSA-N 1 0 463.573 4.282 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)c3[nH]c4ccc(Br)cc4c3Cl)c2)CC1 ZINC001322415540 1067289768 /nfs/dbraw/zinc/28/97/68/1067289768.db2.gz WPFSPVRAKKIOFF-UHFFFAOYSA-N 1 0 475.818 4.261 20 0 JIADRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001354935854 1067290985 /nfs/dbraw/zinc/29/09/85/1067290985.db2.gz FJQYKVLCBIJCCP-UHFFFAOYSA-N 1 0 458.002 4.404 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)c2)CC1 ZINC001322425350 1067291201 /nfs/dbraw/zinc/29/12/01/1067291201.db2.gz YTOMUIDJWJIMIS-UHFFFAOYSA-N 1 0 489.595 4.076 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001300758867 1067293016 /nfs/dbraw/zinc/29/30/16/1067293016.db2.gz XRXFZYVHDOYBLP-MJGOQNOKSA-N 1 0 479.467 4.019 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001300759398 1067294942 /nfs/dbraw/zinc/29/49/42/1067294942.db2.gz IOGXFCCFXQJGGC-NQIIRXRSSA-N 1 0 450.002 4.473 20 0 JIADRO COC(=O)c1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)ccc1OC ZINC001352143739 1067298822 /nfs/dbraw/zinc/29/88/22/1067298822.db2.gz WEEPHJLHDBFJIG-VAVYLYDRSA-N 1 0 472.585 4.188 20 0 JIADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001322564389 1067302619 /nfs/dbraw/zinc/30/26/19/1067302619.db2.gz BDLIYWXPOSEPRC-LJQANCHMSA-N 1 0 475.680 4.050 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001354958502 1067304421 /nfs/dbraw/zinc/30/44/21/1067304421.db2.gz NYGUUGGYGKWJMU-DNQXCXABSA-N 1 0 463.622 4.421 20 0 JIADRO COc1cc(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)ccc1OCc1ccc(Cl)cc1 ZINC001322611252 1067305804 /nfs/dbraw/zinc/30/58/04/1067305804.db2.gz ORLSAUWSBGKPFA-AREMUKBSSA-N 1 0 479.964 4.272 20 0 JIADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001322611649 1067305830 /nfs/dbraw/zinc/30/58/30/1067305830.db2.gz RWOHJURHURDSHV-NRFANRHFSA-N 1 0 461.400 4.259 20 0 JIADRO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001354966615 1067309302 /nfs/dbraw/zinc/30/93/02/1067309302.db2.gz ZVJYJGDUVDIXET-IZZNHLLZSA-N 1 0 465.613 4.229 20 0 JIADRO Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352204839 1067309840 /nfs/dbraw/zinc/30/98/40/1067309840.db2.gz YVIYFLOKIXLNLE-AWEZNQCLSA-N 1 0 452.343 4.279 20 0 JIADRO COc1ccc([C@H](CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC001323086100 1067313504 /nfs/dbraw/zinc/31/35/04/1067313504.db2.gz XJIWZKISPIBGKH-BDYUSTAISA-N 1 0 473.621 4.454 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001354984567 1067317233 /nfs/dbraw/zinc/31/72/33/1067317233.db2.gz MDXHNYKDVWXVLN-FUHWJXTLSA-N 1 0 451.011 4.066 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492552622 1067318294 /nfs/dbraw/zinc/31/82/94/1067318294.db2.gz BSKYOHWTGKXVNE-QONNDPFASA-N 1 0 499.700 4.181 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001300771576 1067319918 /nfs/dbraw/zinc/31/99/18/1067319918.db2.gz COZXNPRRHJQBDK-NNMXDRDESA-N 1 0 462.038 4.246 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492495016 1067322581 /nfs/dbraw/zinc/32/25/81/1067322581.db2.gz NLDWIVNNQGVJFX-QHAWAJNXSA-N 1 0 478.641 4.439 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001300772740 1067323186 /nfs/dbraw/zinc/32/31/86/1067323186.db2.gz LXDMMZMRCUVDFX-IRLDBZIGSA-N 1 0 469.655 4.454 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492580402 1067324075 /nfs/dbraw/zinc/32/40/75/1067324075.db2.gz CTRLWLQAPRUVKI-OYDLWJJNSA-N 1 0 496.700 4.257 20 0 JIADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001492495426 1067324813 /nfs/dbraw/zinc/32/48/13/1067324813.db2.gz XECQXRHOGMGCQW-OGPYBGEISA-N 1 0 466.655 4.069 20 0 JIADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c2cccs2)CC1 ZINC001352289268 1067325771 /nfs/dbraw/zinc/32/57/71/1067325771.db2.gz ZJXAJNWQXLKNBY-BHIFYINESA-N 1 0 455.624 4.342 20 0 JIADRO CO[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC001354995593 1067326109 /nfs/dbraw/zinc/32/61/09/1067326109.db2.gz YPYJXPRYMBVMIG-LJQANCHMSA-N 1 0 452.418 4.367 20 0 JIADRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC001200000466 1067335100 /nfs/dbraw/zinc/33/51/00/1067335100.db2.gz DSQNKSGQBOSYHY-UHFFFAOYSA-N 1 0 451.592 4.054 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492497280 1067336364 /nfs/dbraw/zinc/33/63/64/1067336364.db2.gz SBPHFGVNMJNBQD-UHFFFAOYSA-N 1 0 485.677 4.215 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001300782421 1067339264 /nfs/dbraw/zinc/33/92/64/1067339264.db2.gz MKQCRMVOSAJENE-IAGOWNOFSA-N 1 0 480.028 4.241 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(C)C)CC1 ZINC001300783838 1067342888 /nfs/dbraw/zinc/34/28/88/1067342888.db2.gz FUTTVILXFGBKNF-UHFFFAOYSA-N 1 0 470.662 4.129 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC001300783944 1067343378 /nfs/dbraw/zinc/34/33/78/1067343378.db2.gz GIJOSCAUJJNYLS-RXVVDRJESA-N 1 0 461.676 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001300785119 1067345636 /nfs/dbraw/zinc/34/56/36/1067345636.db2.gz AVJSAEZIXUBIQM-PMACEKPBSA-N 1 0 473.637 4.368 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001300785235 1067346048 /nfs/dbraw/zinc/34/60/48/1067346048.db2.gz JJCBEMFHZRYPAL-XRSWDHFMSA-N 1 0 487.714 4.055 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001300785199 1067346103 /nfs/dbraw/zinc/34/61/03/1067346103.db2.gz CXECVUYXJVQDKT-UHFFFAOYSA-N 1 0 461.601 4.188 20 0 JIADRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N3CCC(CCCO)CC3)CCCC2)CC1 ZINC001300785509 1067346891 /nfs/dbraw/zinc/34/68/91/1067346891.db2.gz DDRMRHAKJKFLCX-UHFFFAOYSA-N 1 0 475.722 4.279 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001300786723 1067349269 /nfs/dbraw/zinc/34/92/69/1067349269.db2.gz OWUNBXRVMPMKHO-FGZHOGPDSA-N 1 0 469.674 4.456 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(F)c2C)cc1 ZINC001352354513 1067349274 /nfs/dbraw/zinc/34/92/74/1067349274.db2.gz HHWUFRAAJXJJHH-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300004007 1067349439 /nfs/dbraw/zinc/34/94/39/1067349439.db2.gz ZWXANJPAOKZHHF-LJQANCHMSA-N 1 0 493.578 4.319 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccccc3C)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001300787124 1067350643 /nfs/dbraw/zinc/35/06/43/1067350643.db2.gz ULJAHGLFCKTAPL-XMMPIXPASA-N 1 0 483.701 4.318 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492553768 1067350978 /nfs/dbraw/zinc/35/09/78/1067350978.db2.gz MJXDTQQOWQHBOK-PABCKOPISA-N 1 0 487.714 4.054 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001300005177 1067352023 /nfs/dbraw/zinc/35/20/23/1067352023.db2.gz CSDLACNEJYEISH-LJQANCHMSA-N 1 0 484.651 4.420 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300007446 1067357524 /nfs/dbraw/zinc/35/75/24/1067357524.db2.gz SQUADDIPVCAOKW-KDURUIRLSA-N 1 0 452.603 4.335 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300008145 1067358178 /nfs/dbraw/zinc/35/81/78/1067358178.db2.gz CQKDCMINGKZWGL-RBBKRZOGSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)c(OC)c1 ZINC001300008131 1067358296 /nfs/dbraw/zinc/35/82/96/1067358296.db2.gz CNMSBSWDFKVALW-RBBKRZOGSA-N 1 0 485.654 4.332 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300008143 1067358352 /nfs/dbraw/zinc/35/83/52/1067358352.db2.gz CQKDCMINGKZWGL-IRLDBZIGSA-N 1 0 471.646 4.232 20 0 JIADRO CN(C)[C@@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC001200853516 1067361235 /nfs/dbraw/zinc/36/12/35/1067361235.db2.gz HGAHRSKRYVKQOX-RTWAWAEBSA-N 1 0 452.039 4.481 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200854910 1067362695 /nfs/dbraw/zinc/36/26/95/1067362695.db2.gz WIQFKYGEDCKGTC-IBGZPJMESA-N 1 0 452.064 4.266 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001300014620 1067371293 /nfs/dbraw/zinc/37/12/93/1067371293.db2.gz GXVCGDVCQLXFQU-UHFFFAOYSA-N 1 0 471.646 4.090 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492554799 1067371680 /nfs/dbraw/zinc/37/16/80/1067371680.db2.gz WQIPHPGOAHABFL-NJYVYQBISA-N 1 0 463.630 4.129 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492554844 1067372438 /nfs/dbraw/zinc/37/24/38/1067372438.db2.gz XNLQNQNVFFKQQT-FGZHOGPDSA-N 1 0 450.631 4.290 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300016505 1067375789 /nfs/dbraw/zinc/37/57/89/1067375789.db2.gz BYKISWLDZNGKKO-RZUBCFFCSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)(F)F)cc1 ZINC001300017225 1067378489 /nfs/dbraw/zinc/37/84/89/1067378489.db2.gz NOOYDHXEHRFYTF-SIKLNZKXSA-N 1 0 487.599 4.252 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300020112 1067383893 /nfs/dbraw/zinc/38/38/93/1067383893.db2.gz ZJMVYLITCIUZID-PMACEKPBSA-N 1 0 455.647 4.468 20 0 JIADRO COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001300021059 1067384958 /nfs/dbraw/zinc/38/49/58/1067384958.db2.gz ACKJDZGYKDKMCX-LJQANCHMSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCCC(C)(C)C)cc1 ZINC001300021167 1067385398 /nfs/dbraw/zinc/38/53/98/1067385398.db2.gz BYOLZJHKNUSQKG-BWKNWUBXSA-N 1 0 496.700 4.159 20 0 JIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001355303799 1067409164 /nfs/dbraw/zinc/40/91/64/1067409164.db2.gz CODUVCVCMNDLBJ-UHFFFAOYSA-N 1 0 459.512 4.290 20 0 JIADRO C[C@@H](CCNC(=O)c1cc(Br)nc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC001355308933 1067412718 /nfs/dbraw/zinc/41/27/18/1067412718.db2.gz CBWITZRKTMVXBL-ZDUSSCGKSA-N 1 0 455.194 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300029900 1067416849 /nfs/dbraw/zinc/41/68/49/1067416849.db2.gz XZPBROJXDYCLLP-JOCHJYFZSA-N 1 0 496.700 4.159 20 0 JIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(Br)cc2C(N)=O)c1 ZINC001355329998 1067421970 /nfs/dbraw/zinc/42/19/70/1067421970.db2.gz WJWQFBJNFBJSCQ-UHFFFAOYSA-N 1 0 452.352 4.432 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001300035036 1067440405 /nfs/dbraw/zinc/44/04/05/1067440405.db2.gz WSKYEHXLELDHFA-QFIPXVFZSA-N 1 0 499.603 4.178 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001300035820 1067442970 /nfs/dbraw/zinc/44/29/70/1067442970.db2.gz FGNVKBBOZINACN-YZVOILCLSA-N 1 0 462.436 4.291 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001300036789 1067446012 /nfs/dbraw/zinc/44/60/12/1067446012.db2.gz UQPOTZGXSZYHQU-MSOLQXFVSA-N 1 0 492.462 4.063 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC001352503546 1067451213 /nfs/dbraw/zinc/45/12/13/1067451213.db2.gz WBASNGANEQEPAH-IZZNHLLZSA-N 1 0 478.614 4.067 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300040136 1067459877 /nfs/dbraw/zinc/45/98/77/1067459877.db2.gz FWANAEDOUSGSDE-OAQYLSRUSA-N 1 0 499.700 4.462 20 0 JIADRO O=C(Cc1ccccc1OC(F)F)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001355429903 1067462716 /nfs/dbraw/zinc/46/27/16/1067462716.db2.gz NCUSNGOKKCWTSV-UHFFFAOYSA-N 1 0 452.505 4.186 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300045384 1067492843 /nfs/dbraw/zinc/49/28/43/1067492843.db2.gz DONSVIKBERNDRA-RPWUZVMVSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@]4(C3)CCCOC4)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300046935 1067499180 /nfs/dbraw/zinc/49/91/80/1067499180.db2.gz JCDSWLAQAHGXTC-QHCPKHFHSA-N 1 0 492.462 4.063 20 0 JIADRO CN(C(=O)c1cc(F)ccc1I)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001355531316 1067500414 /nfs/dbraw/zinc/50/04/14/1067500414.db2.gz XFJZJTUKRSLVNQ-KRWDZBQOSA-N 1 0 452.311 4.167 20 0 JIADRO COc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300048354 1067502665 /nfs/dbraw/zinc/50/26/65/1067502665.db2.gz XTCKCIJZLGAQDA-UHFFFAOYSA-N 1 0 490.446 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC001300050246 1067508920 /nfs/dbraw/zinc/50/89/20/1067508920.db2.gz NSIILBDNCTYHQQ-QZTJIDSGSA-N 1 0 475.540 4.340 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300051157 1067513593 /nfs/dbraw/zinc/51/35/93/1067513593.db2.gz CTEJGZWJIZPBQL-RXFWQSSRSA-N 1 0 471.646 4.232 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300051579 1067516569 /nfs/dbraw/zinc/51/65/69/1067516569.db2.gz KNSVLMPWCPCYFG-JYFHCDHNSA-N 1 0 455.647 4.470 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001355582412 1067516954 /nfs/dbraw/zinc/51/69/54/1067516954.db2.gz VWUMSSLHNPSQBR-RTBURBONSA-N 1 0 452.599 4.244 20 0 JIADRO C[NH+]1CCN(C[C@@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001352553469 1067517676 /nfs/dbraw/zinc/51/76/76/1067517676.db2.gz IJJGAMKLZYZMBB-WOHXKIKESA-N 1 0 451.920 4.391 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300052185 1067520756 /nfs/dbraw/zinc/52/07/56/1067520756.db2.gz WSTCRRRPVFWJSY-FNZWTVRRSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300052188 1067521543 /nfs/dbraw/zinc/52/15/43/1067521543.db2.gz WSTCRRRPVFWJSY-RXFWQSSRSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052898 1067524931 /nfs/dbraw/zinc/52/49/31/1067524931.db2.gz FLSZLFMCWBWJHI-LEWJYISDSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1cccc(COc2cccc(CC(=O)N[C@@H](CN3CC[NH+](C)CC3)c3ccccc3)c2)c1 ZINC001352556101 1067525327 /nfs/dbraw/zinc/52/53/27/1067525327.db2.gz ZCJGANMBIQZUAQ-NDEPHWFRSA-N 1 0 457.618 4.221 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001300055006 1067534409 /nfs/dbraw/zinc/53/44/09/1067534409.db2.gz APVVQVYHFFNHJS-FUHWJXTLSA-N 1 0 494.478 4.450 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300057358 1067545637 /nfs/dbraw/zinc/54/56/37/1067545637.db2.gz VCDJYERAMJBNJG-VQIMIIECSA-N 1 0 492.462 4.062 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300057428 1067546292 /nfs/dbraw/zinc/54/62/92/1067546292.db2.gz UMVSOPSSSNUILO-RBBKRZOGSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300059148 1067554003 /nfs/dbraw/zinc/55/40/03/1067554003.db2.gz JAHRIYKXMLMYNW-YPAWHYETSA-N 1 0 471.646 4.086 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC001300059901 1067556651 /nfs/dbraw/zinc/55/66/51/1067556651.db2.gz LSSSKWZHPHRLPX-PMACEKPBSA-N 1 0 473.687 4.416 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492584273 1067558814 /nfs/dbraw/zinc/55/88/14/1067558814.db2.gz HEVFIECIGXZBEF-XUZZJYLKSA-N 1 0 496.700 4.259 20 0 JIADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC001355735405 1067567847 /nfs/dbraw/zinc/56/78/47/1067567847.db2.gz LXNGEGHCTFNTDX-VYCLJVNGSA-N 1 0 455.602 4.032 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001300062187 1067568936 /nfs/dbraw/zinc/56/89/36/1067568936.db2.gz AWXSBQYSWOALNZ-LEWJYISDSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001300066438 1067580297 /nfs/dbraw/zinc/58/02/97/1067580297.db2.gz BCUOMFXUUZERKQ-NZQKXSOJSA-N 1 0 485.673 4.478 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001300066994 1067581960 /nfs/dbraw/zinc/58/19/60/1067581960.db2.gz HQTJUMRRIJLMPK-OAQYLSRUSA-N 1 0 498.672 4.275 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)OC)cc1Br ZINC001300067257 1067583204 /nfs/dbraw/zinc/58/32/04/1067583204.db2.gz MZQKDUGZRBNHSK-UHFFFAOYSA-N 1 0 480.451 4.062 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842359 1067590648 /nfs/dbraw/zinc/59/06/48/1067590648.db2.gz JUOPDTOZMBFOIE-JSGCOSHPSA-N 1 0 453.178 4.172 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCOCC(F)F)cc1 ZINC001300070736 1067591314 /nfs/dbraw/zinc/59/13/14/1067591314.db2.gz LCPKVIGTNCJNOM-UHFFFAOYSA-N 1 0 463.573 4.080 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSCC(F)(F)F)cc1OC ZINC001300070734 1067591402 /nfs/dbraw/zinc/59/14/02/1067591402.db2.gz KYLAJPUCLRFISM-UHFFFAOYSA-N 1 0 499.603 4.322 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001300071219 1067592871 /nfs/dbraw/zinc/59/28/71/1067592871.db2.gz QNVKKVCMLNMCEQ-UHFFFAOYSA-N 1 0 454.644 4.360 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC2(C)C)cc1 ZINC001300075800 1067602561 /nfs/dbraw/zinc/60/25/61/1067602561.db2.gz JKLQISYLYKSPDS-LJQANCHMSA-N 1 0 481.563 4.091 20 0 JIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(COc4ccccc4F)on3)cc2F)CC1 ZINC001352678746 1067620657 /nfs/dbraw/zinc/62/06/57/1067620657.db2.gz RJFAZDAVSFZDRS-UHFFFAOYSA-N 1 0 456.493 4.315 20 0 JIADRO Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@H]2CCOC2)c1 ZINC001200105666 1067629045 /nfs/dbraw/zinc/62/90/45/1067629045.db2.gz MCIYXFXLSYTRGH-SFHVURJKSA-N 1 0 456.384 4.445 20 0 JIADRO COc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC001300088465 1067636565 /nfs/dbraw/zinc/63/65/65/1067636565.db2.gz MQYRTYXWMFPFHV-QUCCMNQESA-N 1 0 459.660 4.024 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[N@H+](C)C2CCCCC2)cc1OC ZINC001300088895 1067639426 /nfs/dbraw/zinc/63/94/26/1067639426.db2.gz NKQUBWJJCSBKMC-GOSISDBHSA-N 1 0 459.660 4.169 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300090270 1067645021 /nfs/dbraw/zinc/64/50/21/1067645021.db2.gz ZEJDVVCCOIENID-VWPQPMDRSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001300093772 1067653960 /nfs/dbraw/zinc/65/39/60/1067653960.db2.gz AJNRQUMJOALFEE-XMMPIXPASA-N 1 0 468.690 4.199 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300094113 1067655416 /nfs/dbraw/zinc/65/54/16/1067655416.db2.gz FNGCYPFPQHIHLR-GOTSBHOMSA-N 1 0 455.647 4.283 20 0 JIADRO COc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001300095523 1067658947 /nfs/dbraw/zinc/65/89/47/1067658947.db2.gz WHNVPLGCHBFVOZ-OZXSUGGESA-N 1 0 471.646 4.009 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300097382 1067663929 /nfs/dbraw/zinc/66/39/29/1067663929.db2.gz BCQSODPZOMVGKA-RBBKRZOGSA-N 1 0 479.629 4.070 20 0 JIADRO COc1ccc([C@H]2CCCN2c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC001300098588 1067666526 /nfs/dbraw/zinc/66/65/26/1067666526.db2.gz MCZLKNSVVMKPFM-PXDATVDWSA-N 1 0 473.687 4.273 20 0 JIADRO COc1ccc(C2CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC001300099541 1067671532 /nfs/dbraw/zinc/67/15/32/1067671532.db2.gz HFHJVJHSYWRQOO-VWLOTQADSA-N 1 0 469.674 4.226 20 0 JIADRO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC001300099579 1067671562 /nfs/dbraw/zinc/67/15/62/1067671562.db2.gz HYQWRUAUXFTYMB-JTHBVZDNSA-N 1 0 469.674 4.370 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)[NH+]1CCC(C)CC1 ZINC001356203748 1067690853 /nfs/dbraw/zinc/69/08/53/1067690853.db2.gz NRWIIJIIZXCXHE-TZBSWOFLSA-N 1 0 457.659 4.341 20 0 JIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3nc(F)ccc3Br)cc2Cl)CC1 ZINC001356208293 1067691600 /nfs/dbraw/zinc/69/16/00/1067691600.db2.gz NPJHLRYXDXAPPU-UHFFFAOYSA-N 1 0 455.759 4.421 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001356282703 1067715840 /nfs/dbraw/zinc/71/58/40/1067715840.db2.gz KQBRFWSVYRXPGU-JOCHJYFZSA-N 1 0 453.608 4.141 20 0 JIADRO COc1ccc(CCc2nnc(N3CC=C(C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300113442 1067718578 /nfs/dbraw/zinc/71/85/78/1067718578.db2.gz JRMMCGYKUCNXDM-SZPZYZBQSA-N 1 0 467.658 4.116 20 0 JIADRO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300113730 1067719667 /nfs/dbraw/zinc/71/96/67/1067719667.db2.gz HTLRPUHKEHKMSS-VXKWHMMOSA-N 1 0 469.674 4.340 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300114061 1067720629 /nfs/dbraw/zinc/72/06/29/1067720629.db2.gz PJZUQGLJGAZCSI-FGZHOGPDSA-N 1 0 469.674 4.340 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300116088 1067726104 /nfs/dbraw/zinc/72/61/04/1067726104.db2.gz CUYGPYMIYXNBKZ-VABKMULXSA-N 1 0 483.701 4.444 20 0 JIADRO CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001200135693 1067726234 /nfs/dbraw/zinc/72/62/34/1067726234.db2.gz FJXKTAWLIIVRNL-UHFFFAOYSA-N 1 0 454.468 4.489 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001300117655 1067729107 /nfs/dbraw/zinc/72/91/07/1067729107.db2.gz OGNDRYJMCNNYMI-DHLKQENFSA-N 1 0 469.674 4.055 20 0 JIADRO CC(C)(C)n1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(Br)n1 ZINC001356377942 1067738865 /nfs/dbraw/zinc/73/88/65/1067738865.db2.gz KSUQKWOBQBVBBR-UHFFFAOYSA-N 1 0 451.434 4.244 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1ccc(C)cc1Br)C2 ZINC001200144021 1067748268 /nfs/dbraw/zinc/74/82/68/1067748268.db2.gz IMNKJNGIQRFAJB-DYESRHJHSA-N 1 0 452.462 4.135 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300125005 1067749119 /nfs/dbraw/zinc/74/91/19/1067749119.db2.gz BMAAAOKPODLVIZ-WIOPSUGQSA-N 1 0 469.674 4.054 20 0 JIADRO COc1ccc(CCc2nnc(N3CCO[C@H](C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300125991 1067751708 /nfs/dbraw/zinc/75/17/08/1067751708.db2.gz OGYNRLSEJXNRBL-RJGXRXQPSA-N 1 0 469.674 4.055 20 0 JIADRO CC(C)c1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)nn1-c1ccccc1F ZINC001356451974 1067755362 /nfs/dbraw/zinc/75/53/62/1067755362.db2.gz RRLLILOXJRAWIK-UHFFFAOYSA-N 1 0 456.953 4.187 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCCSC2)cc1 ZINC001300127149 1067757866 /nfs/dbraw/zinc/75/78/66/1067757866.db2.gz VPJISWFHMIJBQK-NRFANRHFSA-N 1 0 457.688 4.136 20 0 JIADRO COc1ccc(CCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300127768 1067759693 /nfs/dbraw/zinc/75/96/93/1067759693.db2.gz AQHDNIKTYSGIAH-XUZZJYLKSA-N 1 0 471.715 4.382 20 0 JIADRO COc1ccc(CCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300128771 1067762396 /nfs/dbraw/zinc/76/23/96/1067762396.db2.gz VIUQORLNTXMQHK-UGKGYDQZSA-N 1 0 457.688 4.134 20 0 JIADRO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503757 1067765808 /nfs/dbraw/zinc/76/58/08/1067765808.db2.gz TULPLUIKNFGVQC-BAJOOJPFSA-N 1 0 472.427 4.339 20 0 JIADRO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503062 1067766019 /nfs/dbraw/zinc/76/60/19/1067766019.db2.gz RJCIIIGOSFQNKF-SJLPKXTDSA-N 1 0 454.514 4.011 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300132100 1067769712 /nfs/dbraw/zinc/76/97/12/1067769712.db2.gz VEHFTGRKYAMLAN-JOCHJYFZSA-N 1 0 450.631 4.471 20 0 JIADRO COc1ccc(NC(=[NH2+])NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1Cl ZINC000849062665 1067791779 /nfs/dbraw/zinc/79/17/79/1067791779.db2.gz AXFWJVAPEUMAFI-UHFFFAOYSA-N 1 0 468.964 4.346 20 0 JIADRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1OC ZINC000849062296 1067792130 /nfs/dbraw/zinc/79/21/30/1067792130.db2.gz MXPXKYAFGRAIHI-NRFANRHFSA-N 1 0 450.608 4.179 20 0 JIADRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1OC ZINC000849062264 1067792452 /nfs/dbraw/zinc/79/24/52/1067792452.db2.gz XQDRJWYGBGQCDH-QFIPXVFZSA-N 1 0 464.635 4.221 20 0 JIADRO [NH2+]=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849071620 1067796707 /nfs/dbraw/zinc/79/67/07/1067796707.db2.gz NRNVTOGOZDFUFM-UHFFFAOYSA-N 1 0 496.486 4.339 20 0 JIADRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1Cl ZINC000849073826 1067797140 /nfs/dbraw/zinc/79/71/40/1067797140.db2.gz GGTKBIBIQBFHJO-SFHVURJKSA-N 1 0 456.896 4.377 20 0 JIADRO C[C@@H](NC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000849075103 1067798211 /nfs/dbraw/zinc/79/82/11/1067798211.db2.gz NLWLVVYHASKJGL-OAHLLOKOSA-N 1 0 469.438 4.269 20 0 JIADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000488015721 1067805413 /nfs/dbraw/zinc/80/54/13/1067805413.db2.gz SKEHBAPQOGYDPZ-QHCPKHFHSA-N 1 0 464.635 4.273 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)cc1OC ZINC001357116144 1067806268 /nfs/dbraw/zinc/80/62/68/1067806268.db2.gz IDTGEZSOXZNGIJ-NRFANRHFSA-N 1 0 453.583 4.050 20 0 JIADRO COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)cn3)c(F)c2)c(F)c1 ZINC001357146433 1067810242 /nfs/dbraw/zinc/81/02/42/1067810242.db2.gz YDGCSMDXBXITRQ-GOSISDBHSA-N 1 0 452.505 4.428 20 0 JIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC001473230684 1067811107 /nfs/dbraw/zinc/81/11/07/1067811107.db2.gz OVTDFELRFVFKEY-GOSISDBHSA-N 1 0 454.792 4.446 20 0 JIADRO CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)n1 ZINC001300162540 1067818143 /nfs/dbraw/zinc/81/81/43/1067818143.db2.gz MWTQGUSCZZIFAY-HDICACEKSA-N 1 0 456.656 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC001300163993 1067821082 /nfs/dbraw/zinc/82/10/82/1067821082.db2.gz GAKDMQDEUWAMJC-JOCHJYFZSA-N 1 0 452.578 4.245 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1F ZINC001300164187 1067821370 /nfs/dbraw/zinc/82/13/70/1067821370.db2.gz JUDXSOQTRZIQRK-IBGZPJMESA-N 1 0 452.578 4.245 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001300165775 1067824190 /nfs/dbraw/zinc/82/41/90/1067824190.db2.gz LEPCPDWYDQOBHX-UHFFFAOYSA-N 1 0 465.646 4.287 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001300170807 1067829842 /nfs/dbraw/zinc/82/98/42/1067829842.db2.gz WURDCKOECVHWTE-JOCHJYFZSA-N 1 0 455.647 4.390 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300173171 1067832352 /nfs/dbraw/zinc/83/23/52/1067832352.db2.gz PSGDNPQOIBIHGO-QFIPXVFZSA-N 1 0 462.623 4.273 20 0 JIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(I)ccc1F ZINC001357305441 1067832631 /nfs/dbraw/zinc/83/26/31/1067832631.db2.gz YCURQGXRRWFFKO-UHFFFAOYSA-N 1 0 456.324 4.231 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001300176108 1067835396 /nfs/dbraw/zinc/83/53/96/1067835396.db2.gz HHSFIUGEABKTOE-FGZHOGPDSA-N 1 0 492.668 4.105 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[NH+]2CCC(C)CC2)cc1O ZINC001300177112 1067838139 /nfs/dbraw/zinc/83/81/39/1067838139.db2.gz KEDLCDOBVFSXEN-UHFFFAOYSA-N 1 0 469.655 4.403 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001300179679 1067842629 /nfs/dbraw/zinc/84/26/29/1067842629.db2.gz DMNLPRSUPJBSEZ-SZPZYZBQSA-N 1 0 469.674 4.464 20 0 JIADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1Br)COc1ccc(F)c(F)c1 ZINC001200212722 1067850221 /nfs/dbraw/zinc/85/02/21/1067850221.db2.gz CLEZLMAAYJYIFY-LBPRGKRZSA-N 1 0 451.105 4.019 20 0 JIADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001473277442 1067852893 /nfs/dbraw/zinc/85/28/93/1067852893.db2.gz JJQZNKZRVWQCKD-WMZOPIPTSA-N 1 0 455.418 4.430 20 0 JIADRO COc1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1Br ZINC001300190843 1067853110 /nfs/dbraw/zinc/85/31/10/1067853110.db2.gz YCZTVQPNXLHLJO-PXNSSMCTSA-N 1 0 476.463 4.497 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001492557651 1067872056 /nfs/dbraw/zinc/87/20/56/1067872056.db2.gz RPBANRCYRZJWEH-JOCHJYFZSA-N 1 0 466.674 4.402 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001492557934 1067874042 /nfs/dbraw/zinc/87/40/42/1067874042.db2.gz BTVWODYMUFLQHQ-SFHVURJKSA-N 1 0 486.615 4.257 20 0 JIADRO COc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1Cl ZINC001300202741 1067874484 /nfs/dbraw/zinc/87/44/84/1067874484.db2.gz RWCGAXDYLPSJOK-UHFFFAOYSA-N 1 0 470.021 4.004 20 0 JIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1Br ZINC001357608081 1067876822 /nfs/dbraw/zinc/87/68/22/1067876822.db2.gz DAFWJBMTPCSFKB-UHFFFAOYSA-N 1 0 453.178 4.253 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1 ZINC001357649495 1067881971 /nfs/dbraw/zinc/88/19/71/1067881971.db2.gz RZYMEZZCEAJKKL-UHFFFAOYSA-N 1 0 451.473 4.338 20 0 JIADRO Cc1ccccc1-c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492559514 1067885052 /nfs/dbraw/zinc/88/50/52/1067885052.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 1 0 482.717 4.454 20 0 JIADRO COc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC001300215722 1067885928 /nfs/dbraw/zinc/88/59/28/1067885928.db2.gz FMDJYHJLERYQPE-JOCHJYFZSA-N 1 0 469.674 4.490 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC001353179560 1067891417 /nfs/dbraw/zinc/89/14/17/1067891417.db2.gz UATGCMRRQYOLOO-UHFFFAOYSA-N 1 0 452.595 4.420 20 0 JIADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001200267448 1067905640 /nfs/dbraw/zinc/90/56/40/1067905640.db2.gz GDVBAWWCVXRTDH-UHFFFAOYSA-N 1 0 450.604 4.456 20 0 JIADRO C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@H](C)O1 ZINC001357903791 1067935590 /nfs/dbraw/zinc/93/55/90/1067935590.db2.gz ACGAHPHUKRBFMW-SFTDATJTSA-N 1 0 450.627 4.079 20 0 JIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)cc2)C[C@H]1C ZINC001357904857 1067936947 /nfs/dbraw/zinc/93/69/47/1067936947.db2.gz LRIUMTOLTSUKDA-VLHNATBGSA-N 1 0 450.623 4.102 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300238077 1067938055 /nfs/dbraw/zinc/93/80/55/1067938055.db2.gz YFFBDFWBPWZLRR-VQTJNVASSA-N 1 0 476.065 4.448 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001300238251 1067938518 /nfs/dbraw/zinc/93/85/18/1067938518.db2.gz DCTPVJJJSSMYRH-PMACEKPBSA-N 1 0 475.081 4.107 20 0 JIADRO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357960747 1067960771 /nfs/dbraw/zinc/96/07/71/1067960771.db2.gz YLBTZJUMEQCNBF-WIOPSUGQSA-N 1 0 457.565 4.435 20 0 JIADRO C[NH+](C)CCOc1cc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)ccn1 ZINC001357979308 1067968688 /nfs/dbraw/zinc/96/86/88/1067968688.db2.gz ZQOVWJGFFWKPHH-UHFFFAOYSA-N 1 0 459.344 4.011 20 0 JIADRO COc1cc2ccc(C(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2cc1OC ZINC001358028665 1067992774 /nfs/dbraw/zinc/99/27/74/1067992774.db2.gz LCXUTTXJAMDKOF-QGZVFWFLSA-N 1 0 451.542 4.239 20 0 JIADRO CC(C)COC(=O)N1CCC(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038597 1068000355 /nfs/dbraw/zinc/00/03/55/1068000355.db2.gz JDWPIUURNOMROI-GHTZIAJQSA-N 1 0 453.986 4.093 20 0 JIADRO COc1ccc(OC)c(CCCn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300254154 1068010657 /nfs/dbraw/zinc/01/06/57/1068010657.db2.gz NSLOZBAMQQUTMW-UHFFFAOYSA-N 1 0 478.641 4.219 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1OC ZINC001358086146 1068016112 /nfs/dbraw/zinc/01/61/12/1068016112.db2.gz VBMVENHYYDYJFX-BMFZPTHFSA-N 1 0 457.949 4.040 20 0 JIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C(F)(F)c3ccc(OCC(=O)N(C)C)cc3)c2C1 ZINC001358122456 1068024642 /nfs/dbraw/zinc/02/46/42/1068024642.db2.gz SWUDZWXRFJTZBB-UHFFFAOYSA-N 1 0 459.537 4.246 20 0 JIADRO CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358147709 1068030808 /nfs/dbraw/zinc/03/08/08/1068030808.db2.gz AQBFVDCWYNGDMK-LAUBAEHRSA-N 1 0 455.921 4.387 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300263978 1068032269 /nfs/dbraw/zinc/03/22/69/1068032269.db2.gz CDWLHFJZOIEYFU-XPWALMASSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300264918 1068034178 /nfs/dbraw/zinc/03/41/78/1068034178.db2.gz MOBQCEYRLVIFGG-HTAPYJJXSA-N 1 0 469.552 4.375 20 0 JIADRO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001358282659 1068059425 /nfs/dbraw/zinc/05/94/25/1068059425.db2.gz JFQGQGHBMZZZMO-JWQCQUIFSA-N 1 0 463.622 4.200 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001492564540 1068067138 /nfs/dbraw/zinc/06/71/38/1068067138.db2.gz KTBHYLDNYZUSPX-UHFFFAOYSA-N 1 0 470.568 4.308 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300280107 1068069873 /nfs/dbraw/zinc/06/98/73/1068069873.db2.gz BRCREJXSSYLJIS-DENIHFKCSA-N 1 0 473.687 4.318 20 0 JIADRO CN1c2cc(C(=O)N(CCC[NH+](C)C)C(c3ccccc3)c3ccccc3)ccc2OCC1=O ZINC001358373694 1068077277 /nfs/dbraw/zinc/07/72/77/1068077277.db2.gz WBXYLVOYLRPZHQ-UHFFFAOYSA-N 1 0 457.574 4.225 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492565409 1068078827 /nfs/dbraw/zinc/07/88/27/1068078827.db2.gz DQROYAPPMAGPAZ-VXKWHMMOSA-N 1 0 466.674 4.117 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001492565436 1068079325 /nfs/dbraw/zinc/07/93/25/1068079325.db2.gz DUYHDVLNHOFXAR-HXUWFJFHSA-N 1 0 468.646 4.231 20 0 JIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001358397427 1068081907 /nfs/dbraw/zinc/08/19/07/1068081907.db2.gz AEFVPESIZVPCOU-UHFFFAOYSA-N 1 0 452.555 4.080 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300286466 1068085768 /nfs/dbraw/zinc/08/57/68/1068085768.db2.gz WOCJRPAAOJUTQC-HXUWFJFHSA-N 1 0 473.687 4.320 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC001358457510 1068095906 /nfs/dbraw/zinc/09/59/06/1068095906.db2.gz YOUFSALSNFGYNH-FQEVSTJZSA-N 1 0 452.574 4.495 20 0 JIADRO C[NH+](C)CCc1ccc(NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001358489164 1068112734 /nfs/dbraw/zinc/11/27/34/1068112734.db2.gz LMBKPUCMEKPADD-HSZRJFAPSA-N 1 0 450.583 4.347 20 0 JIADRO CSc1cccc(N(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)C2CC[NH+](C)CC2)c1 ZINC001353445680 1068140172 /nfs/dbraw/zinc/14/01/72/1068140172.db2.gz UALUVFPJMNFQBU-UHFFFAOYSA-N 1 0 450.612 4.050 20 0 JIADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001353473130 1068177916 /nfs/dbraw/zinc/17/79/16/1068177916.db2.gz VYXZOGRJVUXEOH-NRFANRHFSA-N 1 0 459.428 4.425 20 0 JIADRO C[C@@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1 ZINC001353483753 1068191813 /nfs/dbraw/zinc/19/18/13/1068191813.db2.gz ODLZYEHJOGAQLN-OAHLLOKOSA-N 1 0 459.388 4.407 20 0 JIADRO CCS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001200355659 1068212318 /nfs/dbraw/zinc/21/23/18/1068212318.db2.gz GFZUQJQREOVTNX-FOIQADDNSA-N 1 0 453.967 4.087 20 0 JIADRO O=C(CSc1nnc(NCc2ccco2)s1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499231561 1068217129 /nfs/dbraw/zinc/21/71/29/1068217129.db2.gz DWSUSNKOUOAOEB-UHFFFAOYSA-N 1 0 461.638 4.023 20 0 JIADRO COc1cccc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332652 1068285069 /nfs/dbraw/zinc/28/50/69/1068285069.db2.gz MWTGRESRDBLFEH-GGAORHGYSA-N 1 0 456.679 4.270 20 0 JIADRO COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)F)C2)[NH+](C)C)c1 ZINC001300334149 1068299267 /nfs/dbraw/zinc/29/92/67/1068299267.db2.gz FQFDNNQJMHETIG-CTNGQTDRSA-N 1 0 456.541 4.133 20 0 JIADRO COc1cccc([C@H](C)N2CCN(c3nnc(C4CCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300334670 1068302974 /nfs/dbraw/zinc/30/29/74/1068302974.db2.gz IRFNWAHUFIBCIC-NRFANRHFSA-N 1 0 454.663 4.168 20 0 JIADRO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N(C)C2CCC(NC(C)=O)CC2)[NH+]2CCCC2)c1 ZINC001300335804 1068309320 /nfs/dbraw/zinc/30/93/20/1068309320.db2.gz WPSPNWALNMSVPM-OOEPIQFGSA-N 1 0 482.673 4.131 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001545693936 1068316446 /nfs/dbraw/zinc/31/64/46/1068316446.db2.gz GZUPDKPAQCGILM-WMTXJRDZSA-N 1 0 489.668 4.134 20 0 JIADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001545693935 1068316550 /nfs/dbraw/zinc/31/65/50/1068316550.db2.gz GZUPDKPAQCGILM-FIXSFTCYSA-N 1 0 489.668 4.134 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339437 1068319259 /nfs/dbraw/zinc/31/92/59/1068319259.db2.gz HZKWZVOFDJUNJK-FUDKSRODSA-N 1 0 455.647 4.356 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300339438 1068319734 /nfs/dbraw/zinc/31/97/34/1068319734.db2.gz HZKWZVOFDJUNJK-GIWBLDEGSA-N 1 0 455.647 4.356 20 0 JIADRO COc1cccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@H](C)C2)[NH+](C)C)c1 ZINC001300339764 1068320029 /nfs/dbraw/zinc/32/00/29/1068320029.db2.gz IVWSRDSVYNSJMZ-JQVVWYNYSA-N 1 0 496.681 4.063 20 0 JIADRO COc1ccccc1Nc1nc2sc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2s1 ZINC000615616012 1068323091 /nfs/dbraw/zinc/32/30/91/1068323091.db2.gz HAKBPAHICFWJND-UHFFFAOYSA-N 1 0 494.646 4.187 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)[NH+]2CCCC2)c1 ZINC001300342583 1068332428 /nfs/dbraw/zinc/33/24/28/1068332428.db2.gz WSXMJUYSYZRKGF-RUZDIDTESA-N 1 0 479.673 4.309 20 0 JIADRO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000523446388 1068345084 /nfs/dbraw/zinc/34/50/84/1068345084.db2.gz AGXHZADCHCUMOB-UHFFFAOYSA-N 1 0 483.638 4.104 20 0 JIADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n1 ZINC000523446404 1068345165 /nfs/dbraw/zinc/34/51/65/1068345165.db2.gz CUQSMFLXFCQWEP-UHFFFAOYSA-N 1 0 483.551 4.296 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001474154101 1068360663 /nfs/dbraw/zinc/36/06/63/1068360663.db2.gz NUDMPAWRWOMUIO-YJMBLLCNSA-N 1 0 466.569 4.390 20 0 JIADRO COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300351484 1068363272 /nfs/dbraw/zinc/36/32/72/1068363272.db2.gz KVVTWHONNJRKQS-SFTDATJTSA-N 1 0 485.673 4.157 20 0 JIADRO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001300359829 1068383937 /nfs/dbraw/zinc/38/39/37/1068383937.db2.gz HKKKELDXDGAVFO-OFNKIYASSA-N 1 0 455.647 4.470 20 0 JIADRO Cc1cccc(C(C)C)c1NC(=S)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001200398966 1068384464 /nfs/dbraw/zinc/38/44/64/1068384464.db2.gz AANWKAJLJPBRSD-MUUNZHRXSA-N 1 0 491.705 4.315 20 0 JIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001353636661 1068388597 /nfs/dbraw/zinc/38/85/97/1068388597.db2.gz JQWIEHYQFWPURR-FNZWTVRRSA-N 1 0 453.558 4.079 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300370121 1068418763 /nfs/dbraw/zinc/41/87/63/1068418763.db2.gz UMUQXJXVOYRXTI-NFBKMPQASA-N 1 0 455.647 4.327 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001300377130 1068453794 /nfs/dbraw/zinc/45/37/94/1068453794.db2.gz JHZGHJXMKDAYHI-OAQYLSRUSA-N 1 0 498.672 4.274 20 0 JIADRO COc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001300377804 1068457787 /nfs/dbraw/zinc/45/77/87/1068457787.db2.gz LXUCIKZDTRQMTD-LEWJYISDSA-N 1 0 498.672 4.179 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2cccc(F)c2)C(=S)NCC[NH+]2CCCCC2)C1 ZINC001200428404 1068505303 /nfs/dbraw/zinc/50/53/03/1068505303.db2.gz PXIRGNWRABOCAE-JOCHJYFZSA-N 1 0 478.678 4.388 20 0 JIADRO COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2CSCCS2)c1 ZINC001300390670 1068506881 /nfs/dbraw/zinc/50/68/81/1068506881.db2.gz YXABJQBLZHJLQH-OAQYLSRUSA-N 1 0 475.728 4.361 20 0 JIADRO COc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCCC[NH+]2CCCC2)c1 ZINC001300390579 1068506922 /nfs/dbraw/zinc/50/69/22/1068506922.db2.gz WTQZDTYHSQMCHM-FQEVSTJZSA-N 1 0 494.606 4.293 20 0 JIADRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(CC2CCC2)C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200431939 1068518483 /nfs/dbraw/zinc/51/84/83/1068518483.db2.gz SCEQSASJIFVLFI-MEMLXQNLSA-N 1 0 452.709 4.285 20 0 JIADRO Cc1cc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)c(Br)s1 ZINC001353735697 1068527277 /nfs/dbraw/zinc/52/72/77/1068527277.db2.gz QSRFFYSKNNYYLK-MRXNPFEDSA-N 1 0 450.402 4.238 20 0 JIADRO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001300397980 1068541075 /nfs/dbraw/zinc/54/10/75/1068541075.db2.gz AVQLNOQALHVLCT-DEOSSOPVSA-N 1 0 468.690 4.199 20 0 JIADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2ccc(Br)cc2)CC1 ZINC001353762947 1068560100 /nfs/dbraw/zinc/56/01/00/1068560100.db2.gz DROHVUYHDQXSQU-UHFFFAOYSA-N 1 0 456.306 4.150 20 0 JIADRO Oc1ccc2ccccc2c1[C@H]1c2ccccc2C=C[C@]1(O)NC(=S)NCC[NH+]1CCCCC1 ZINC001200445750 1068578832 /nfs/dbraw/zinc/57/88/32/1068578832.db2.gz WQNITDVOGFRWRG-IXCJQBJRSA-N 1 0 473.642 4.343 20 0 JIADRO COc1ccc(Oc2ccc(C[NH2+]CC3CCN(S(=O)(=O)C(F)(F)F)CC3)cc2)cc1 ZINC001200450683 1068598677 /nfs/dbraw/zinc/59/86/77/1068598677.db2.gz STWRYJLYSWOIIC-UHFFFAOYSA-N 1 0 458.502 4.139 20 0 JIADRO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300420617 1068632613 /nfs/dbraw/zinc/63/26/13/1068632613.db2.gz DEHFUXLXTDIJQO-NRFANRHFSA-N 1 0 462.642 4.419 20 0 JIADRO 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COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300470512 1068811386 /nfs/dbraw/zinc/81/13/86/1068811386.db2.gz MITODVABZRFBMX-QHCPKHFHSA-N 1 0 455.647 4.327 20 0 JIADRO COc1ccccc1-c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300470834 1068811669 /nfs/dbraw/zinc/81/16/69/1068811669.db2.gz OSZLXBLVSWIHGY-JTHBVZDNSA-N 1 0 453.631 4.103 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001353976119 1068811713 /nfs/dbraw/zinc/81/17/13/1068811713.db2.gz LDBOVUOTJSONPZ-UHFFFAOYSA-N 1 0 487.979 4.097 20 0 JIADRO CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353994789 1068823507 /nfs/dbraw/zinc/82/35/07/1068823507.db2.gz XWMXJWLZTKFHST-NRFANRHFSA-N 1 0 453.549 4.167 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001492566785 1068828077 /nfs/dbraw/zinc/82/80/77/1068828077.db2.gz WANUMFKEKYVIRP-OAQYLSRUSA-N 1 0 470.662 4.429 20 0 JIADRO 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CC[C@](C[NH2+]Cc1c(F)ccc(I)c1F)(C(=O)OC)c1ccccc1 ZINC001474576341 1068867587 /nfs/dbraw/zinc/86/75/87/1068867587.db2.gz MRETYGSTWPNILS-LJQANCHMSA-N 1 0 459.274 4.180 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCC[C@H](SC)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300501435 1068870078 /nfs/dbraw/zinc/87/00/78/1068870078.db2.gz KIODDYMHQCLMOU-FDDCHVKYSA-N 1 0 461.701 4.113 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCC[NH+]1CCCCC1 ZINC001300502284 1068871061 /nfs/dbraw/zinc/87/10/61/1068871061.db2.gz PUOZATFVSGHSNP-IBGZPJMESA-N 1 0 481.563 4.377 20 0 JIADRO COc1ccccc1-c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300506883 1068880284 /nfs/dbraw/zinc/88/02/84/1068880284.db2.gz XDVNTLRWZMDZSD-OAQYLSRUSA-N 1 0 494.606 4.149 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001300508592 1068883883 /nfs/dbraw/zinc/88/38/83/1068883883.db2.gz ZGTAIVPYRAAFLU-UHFFFAOYSA-N 1 0 498.672 4.277 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513744 1068894375 /nfs/dbraw/zinc/89/43/75/1068894375.db2.gz PIYQARBJJHEPPS-IFMALSPDSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300514113 1068895792 /nfs/dbraw/zinc/89/57/92/1068895792.db2.gz XHNYZSNNVFXJEQ-WOJBJXKFSA-N 1 0 494.606 4.291 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300518908 1068905048 /nfs/dbraw/zinc/90/50/48/1068905048.db2.gz SZSZWELGOCQFEU-QHAWAJNXSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCC[NH+]1CCC(C)CC1 ZINC001300522052 1068915562 /nfs/dbraw/zinc/91/55/62/1068915562.db2.gz QSJZTHZELDTACJ-HSZRJFAPSA-N 1 0 482.673 4.279 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300523121 1068919502 /nfs/dbraw/zinc/91/95/02/1068919502.db2.gz DYESESSLLUJRJA-FYYLOGMGSA-N 1 0 469.674 4.454 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001200572797 1068923448 /nfs/dbraw/zinc/92/34/48/1068923448.db2.gz RXNUIDUYNTUTOM-IBGZPJMESA-N 1 0 452.437 4.403 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300527721 1068931925 /nfs/dbraw/zinc/93/19/25/1068931925.db2.gz BFOJSPXRCMMBJA-QFIPXVFZSA-N 1 0 469.674 4.198 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300529836 1068939018 /nfs/dbraw/zinc/93/90/18/1068939018.db2.gz LWFSKPSVXXHGEZ-AOHZBQACSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300530635 1068940570 /nfs/dbraw/zinc/94/05/70/1068940570.db2.gz PTSZNLCSNPHJTR-RTWAWAEBSA-N 1 0 479.673 4.265 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1([NH+](C)C)CCCC1 ZINC001300532866 1068947677 /nfs/dbraw/zinc/94/76/77/1068947677.db2.gz RYHROCGDSNENGE-OAQYLSRUSA-N 1 0 479.673 4.090 20 0 JIADRO COc1ccccc1C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300533591 1068949784 /nfs/dbraw/zinc/94/97/84/1068949784.db2.gz YOKJPSUVMVVSDX-KKLQWCBXSA-N 1 0 453.587 4.102 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1CC[N@H+](C)C1CCCC1 ZINC001300536735 1068957604 /nfs/dbraw/zinc/95/76/04/1068957604.db2.gz SJKFXEMABSILSC-UHFFFAOYSA-N 1 0 454.644 4.153 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1CC1([NH+](C)C)CCC1 ZINC001300538284 1068963323 /nfs/dbraw/zinc/96/33/23/1068963323.db2.gz SUOQTGCNEPAKLZ-GOSISDBHSA-N 1 0 454.644 4.058 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001492568696 1068977960 /nfs/dbraw/zinc/97/79/60/1068977960.db2.gz WMEDSXAPRGHXLX-UHFFFAOYSA-N 1 0 456.635 4.089 20 0 JIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001354211729 1068981830 /nfs/dbraw/zinc/98/18/30/1068981830.db2.gz YVYCHXLWCBYTRP-MAODMQOUSA-N 1 0 459.612 4.375 20 0 JIADRO Cc1ccc(Br)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)n1 ZINC001354211224 1068982010 /nfs/dbraw/zinc/98/20/10/1068982010.db2.gz PXONCSBLYUCPPU-UHFFFAOYSA-N 1 0 457.294 4.175 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300546041 1068984062 /nfs/dbraw/zinc/98/40/62/1068984062.db2.gz BTOHVSLHJWGOTH-PKTZIBPZSA-N 1 0 455.647 4.003 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001300546577 1068985095 /nfs/dbraw/zinc/98/50/95/1068985095.db2.gz CPHSKJMPCBBQAU-CNNODRBYSA-N 1 0 495.590 4.154 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300548512 1068991725 /nfs/dbraw/zinc/99/17/25/1068991725.db2.gz NPTYHACNCKRLMQ-BGYRXZFFSA-N 1 0 457.688 4.330 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001492586217 1069000620 /nfs/dbraw/zinc/00/06/20/1069000620.db2.gz ZJBDAHZGYWHFJD-UHFFFAOYSA-N 1 0 483.458 4.304 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492586488 1069002962 /nfs/dbraw/zinc/00/29/62/1069002962.db2.gz JFKGZFWJXNMMDE-FYYLOGMGSA-N 1 0 492.634 4.371 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300552754 1069003852 /nfs/dbraw/zinc/00/38/52/1069003852.db2.gz VJTOVUOOHCGSAU-CPJSRVTESA-N 1 0 457.688 4.187 20 0 JIADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC001200606282 1069011879 /nfs/dbraw/zinc/01/18/79/1069011879.db2.gz LKVBUTXWXKXTGT-FQEVSTJZSA-N 1 0 450.425 4.376 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001300556779 1069014315 /nfs/dbraw/zinc/01/43/15/1069014315.db2.gz GDOVIHNRFBUAIZ-WQMHRJNTSA-N 1 0 469.674 4.392 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300558198 1069020329 /nfs/dbraw/zinc/02/03/29/1069020329.db2.gz WKJDIKBREAVMBE-FGZHOGPDSA-N 1 0 499.700 4.161 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001492572465 1069030031 /nfs/dbraw/zinc/03/00/31/1069030031.db2.gz BUWODVYVFDRLKR-UGKGYDQZSA-N 1 0 466.655 4.083 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001492588144 1069033298 /nfs/dbraw/zinc/03/32/98/1069033298.db2.gz KOFCMEHMZZWRCY-RBJSKKJNSA-N 1 0 483.701 4.056 20 0 JIADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1 ZINC001200612514 1069036671 /nfs/dbraw/zinc/03/66/71/1069036671.db2.gz BRQGMPZDWPOZCM-UHFFFAOYSA-N 1 0 458.006 4.132 20 0 JIADRO COc1ccccc1Cc1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001300562688 1069038294 /nfs/dbraw/zinc/03/82/94/1069038294.db2.gz LBHXEZFADQFEQB-LADGPHEKSA-N 1 0 455.647 4.002 20 0 JIADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482765 1069051086 /nfs/dbraw/zinc/05/10/86/1069051086.db2.gz SISZWNMICBCCGY-UXHICEINSA-N 1 0 494.467 4.418 20 0 JIADRO COc1cc(CN(C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486373 1069051882 /nfs/dbraw/zinc/05/18/82/1069051882.db2.gz KHLLNWDWPHBQCR-FTJBHMTQSA-N 1 0 490.648 4.480 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849487147 1069052828 /nfs/dbraw/zinc/05/28/28/1069052828.db2.gz COKIXHFECLVPKT-CVEARBPZSA-N 1 0 462.417 4.245 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487877 1069053705 /nfs/dbraw/zinc/05/37/05/1069053705.db2.gz ATRHZMPKXVDHCW-RBUKOAKNSA-N 1 0 463.529 4.160 20 0 JIADRO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849486658 1069053866 /nfs/dbraw/zinc/05/38/66/1069053866.db2.gz LLTSPUBMJGXXJG-XZOQPEGZSA-N 1 0 482.650 4.153 20 0 JIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)C[C@@H](C)O1 ZINC000504136321 1069058686 /nfs/dbraw/zinc/05/86/86/1069058686.db2.gz NXUFUXPBNHHYSU-IAGOWNOFSA-N 1 0 469.586 4.199 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491872 1069060355 /nfs/dbraw/zinc/06/03/55/1069060355.db2.gz UYNBSCNUHYLYSZ-RBUKOAKNSA-N 1 0 469.611 4.013 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491772 1069060400 /nfs/dbraw/zinc/06/04/00/1069060400.db2.gz UDRRWBIDMSQAAO-VXKWHMMOSA-N 1 0 454.521 4.286 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849491771 1069060493 /nfs/dbraw/zinc/06/04/93/1069060493.db2.gz ANLXVGRRTCMDNJ-LEWJYISDSA-N 1 0 459.566 4.198 20 0 JIADRO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491874 1069060514 /nfs/dbraw/zinc/06/05/14/1069060514.db2.gz UYNBSCNUHYLYSZ-RTBURBONSA-N 1 0 469.611 4.013 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493578 1069064765 /nfs/dbraw/zinc/06/47/65/1069064765.db2.gz YAEAQBPPZSLWBM-ROUUACIJSA-N 1 0 464.422 4.448 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849495567 1069067488 /nfs/dbraw/zinc/06/74/88/1069067488.db2.gz DAWWJIGPOXKCMH-VXKWHMMOSA-N 1 0 459.432 4.188 20 0 JIADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2sc(Br)cc2s1 ZINC001300568992 1069069190 /nfs/dbraw/zinc/06/91/90/1069069190.db2.gz CHUUHGGEZYESQC-CQSZACIVSA-N 1 0 451.411 4.222 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497457 1069069486 /nfs/dbraw/zinc/06/94/86/1069069486.db2.gz OCZPYSZWUVYPDB-RTWAWAEBSA-N 1 0 461.635 4.265 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@H](c2cnn(C)c2)C1 ZINC000849496498 1069069502 /nfs/dbraw/zinc/06/95/02/1069069502.db2.gz KPTQDKZVZIUVFG-OALUTQOASA-N 1 0 469.973 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499023 1069070426 /nfs/dbraw/zinc/07/04/26/1069070426.db2.gz CIIKLEMLFOKOCT-GSLIJJQTSA-N 1 0 488.611 4.281 20 0 JIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cn2)c1 ZINC000849502294 1069073801 /nfs/dbraw/zinc/07/38/01/1069073801.db2.gz ZPSDVIKKWHWUBF-BJKOFHAPSA-N 1 0 461.610 4.355 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501893 1069074911 /nfs/dbraw/zinc/07/49/11/1069074911.db2.gz XWCIYHZHCLBBJL-GKBBYZSKSA-N 1 0 461.610 4.085 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503372 1069077590 /nfs/dbraw/zinc/07/75/90/1069077590.db2.gz IGUYVCHXOAJTDF-RRPUWOKSSA-N 1 0 485.401 4.263 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849503410 1069077644 /nfs/dbraw/zinc/07/76/44/1069077644.db2.gz ITJLXENIUJMIOF-XZOQPEGZSA-N 1 0 477.584 4.193 20 0 JIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849502668 1069078744 /nfs/dbraw/zinc/07/87/44/1069078744.db2.gz DMVJAVOSKPEYOK-FPOVZHCZSA-N 1 0 474.049 4.445 20 0 JIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849502903 1069078762 /nfs/dbraw/zinc/07/87/62/1069078762.db2.gz FYXPTNUOVVHDFI-VWNXMTODSA-N 1 0 494.039 4.410 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cn1 ZINC000849503459 1069079590 /nfs/dbraw/zinc/07/95/90/1069079590.db2.gz YAAKRTSLGZJCCM-IRXDYDNUSA-N 1 0 481.519 4.460 20 0 JIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849503727 1069083442 /nfs/dbraw/zinc/08/34/42/1069083442.db2.gz KNDWKSIHHJCSHV-BJKOFHAPSA-N 1 0 453.631 4.135 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001492574896 1069087833 /nfs/dbraw/zinc/08/78/33/1069087833.db2.gz CEEDRQLXTJIODM-MUAVYFROSA-N 1 0 494.728 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849506743 1069088934 /nfs/dbraw/zinc/08/89/34/1069088934.db2.gz NNYYICCNPVPXNL-FCHUYYIVSA-N 1 0 473.459 4.235 20 0 JIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849508132 1069088994 /nfs/dbraw/zinc/08/89/94/1069088994.db2.gz HCEQUDRALAIPKB-WOJBJXKFSA-N 1 0 452.530 4.343 20 0 JIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510032 1069091743 /nfs/dbraw/zinc/09/17/43/1069091743.db2.gz GJZXNYYLXXNVPI-OYDLWJJNSA-N 1 0 465.642 4.196 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@H](c2cnn(C)c2)C1 ZINC000849510678 1069095631 /nfs/dbraw/zinc/09/56/31/1069095631.db2.gz KXZTZLLYVFFOLY-CTNGQTDRSA-N 1 0 481.000 4.173 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511576 1069096260 /nfs/dbraw/zinc/09/62/60/1069096260.db2.gz ZVYNJUJLDKTRDA-PPJWLVRDSA-N 1 0 470.621 4.027 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2csc(Cc3ccccc3F)n2)c1 ZINC001354313489 1069100217 /nfs/dbraw/zinc/10/02/17/1069100217.db2.gz XHJPKSGMZNABEK-UHFFFAOYSA-N 1 0 454.571 4.197 20 0 JIADRO Cc1ccccc1-c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515676 1069102368 /nfs/dbraw/zinc/10/23/68/1069102368.db2.gz HGSNCGSOKFZNGU-LOSJGSFVSA-N 1 0 468.605 4.314 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515604 1069102700 /nfs/dbraw/zinc/10/27/00/1069102700.db2.gz MFACATKPMFTGSO-VQTJNVASSA-N 1 0 464.591 4.017 20 0 JIADRO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517453 1069103309 /nfs/dbraw/zinc/10/33/09/1069103309.db2.gz NXLFGPXPLUQFNY-BJKOFHAPSA-N 1 0 454.578 4.255 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300577652 1069104955 /nfs/dbraw/zinc/10/49/55/1069104955.db2.gz AYUQXJAUCNMKPZ-IEGUWTFLSA-N 1 0 479.641 4.042 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)s2)c1 ZINC000504186967 1069107827 /nfs/dbraw/zinc/10/78/27/1069107827.db2.gz FRBXFPHEKROYDZ-UHFFFAOYSA-N 1 0 494.665 4.170 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519452 1069107835 /nfs/dbraw/zinc/10/78/35/1069107835.db2.gz RLVAFJBDDDZCFJ-CLJLJLNGSA-N 1 0 485.632 4.005 20 0 JIADRO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849518877 1069108634 /nfs/dbraw/zinc/10/86/34/1069108634.db2.gz HQVVSAHYEMJVSI-VXKWHMMOSA-N 1 0 466.607 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849520427 1069110963 /nfs/dbraw/zinc/11/09/63/1069110963.db2.gz ZHDXHNBWLUSHDD-PKTZIBPZSA-N 1 0 458.566 4.318 20 0 JIADRO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849519559 1069112371 /nfs/dbraw/zinc/11/23/71/1069112371.db2.gz KIAGFXSRVPNMIF-CCDWMCETSA-N 1 0 460.626 4.303 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520620 1069113282 /nfs/dbraw/zinc/11/32/82/1069113282.db2.gz XRLJWKHLXZVURF-WOJBJXKFSA-N 1 0 470.371 4.044 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520679 1069113572 /nfs/dbraw/zinc/11/35/72/1069113572.db2.gz YMDDKTAHGBRYMF-DNQXCXABSA-N 1 0 466.630 4.281 20 0 JIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1 ZINC000504190937 1069114359 /nfs/dbraw/zinc/11/43/59/1069114359.db2.gz SUOFPBHOKRSGOE-UHFFFAOYSA-N 1 0 482.629 4.300 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522793 1069116743 /nfs/dbraw/zinc/11/67/43/1069116743.db2.gz ORVRCIDDXRJXLE-RPBOFIJWSA-N 1 0 472.593 4.099 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849525094 1069117916 /nfs/dbraw/zinc/11/79/16/1069117916.db2.gz LQHPQSWSMNRWPM-FHLIZLRMSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525627 1069122316 /nfs/dbraw/zinc/12/23/16/1069122316.db2.gz RFSHWVDHYOVOSI-UPVQGACJSA-N 1 0 451.590 4.261 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849527947 1069127071 /nfs/dbraw/zinc/12/70/71/1069127071.db2.gz XWTSWYPYSMSDOP-GOTSBHOMSA-N 1 0 480.634 4.300 20 0 JIADRO Cc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527688 1069128190 /nfs/dbraw/zinc/12/81/90/1069128190.db2.gz XKRAHXYLZYDEON-SSPYTLHUSA-N 1 0 454.977 4.462 20 0 JIADRO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533358 1069140198 /nfs/dbraw/zinc/14/01/98/1069140198.db2.gz BCIAIQWQYPSJAY-DQEYMECFSA-N 1 0 450.627 4.274 20 0 JIADRO COc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300591242 1069154797 /nfs/dbraw/zinc/15/47/97/1069154797.db2.gz JYZFGEOMDRNPMC-CUNXSJBXSA-N 1 0 485.673 4.084 20 0 JIADRO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300592418 1069160147 /nfs/dbraw/zinc/16/01/47/1069160147.db2.gz UNLWLKHMGREADD-OALUTQOASA-N 1 0 485.032 4.138 20 0 JIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)CC2)c1 ZINC001300596094 1069173941 /nfs/dbraw/zinc/17/39/41/1069173941.db2.gz IAXOVFRKJZTZLP-UHFFFAOYSA-N 1 0 458.484 4.294 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849546412 1069180884 /nfs/dbraw/zinc/18/08/84/1069180884.db2.gz ANKNWJJTAHWNLJ-TZNXZYKKSA-N 1 0 470.683 4.454 20 0 JIADRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849546297 1069181066 /nfs/dbraw/zinc/18/10/66/1069181066.db2.gz AKLHEMQEBLKWDK-RPBOFIJWSA-N 1 0 454.659 4.360 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849546413 1069181108 /nfs/dbraw/zinc/18/11/08/1069181108.db2.gz ANKNWJJTAHWNLJ-UTKFAANNSA-N 1 0 470.683 4.454 20 0 JIADRO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCCC2 ZINC000849549243 1069186985 /nfs/dbraw/zinc/18/69/85/1069186985.db2.gz RLKVZSXEVFKANC-ICSRJNTNSA-N 1 0 472.655 4.378 20 0 JIADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C ZINC000849547556 1069187208 /nfs/dbraw/zinc/18/72/08/1069187208.db2.gz GJHSGHQSHNIGCV-VXKWHMMOSA-N 1 0 499.457 4.438 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548937 1069188512 /nfs/dbraw/zinc/18/85/12/1069188512.db2.gz QNIPAPAUXSDIDJ-GOTSBHOMSA-N 1 0 481.641 4.400 20 0 JIADRO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849553314 1069195114 /nfs/dbraw/zinc/19/51/14/1069195114.db2.gz RELPGMXNOTWPEA-LEWJYISDSA-N 1 0 499.457 4.344 20 0 JIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849555293 1069199335 /nfs/dbraw/zinc/19/93/35/1069199335.db2.gz YJHCDVAQQYOWSQ-YUXAGFNASA-N 1 0 451.640 4.415 20 0 JIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555505 1069199495 /nfs/dbraw/zinc/19/94/95/1069199495.db2.gz ZHCAUIOCJRGEIK-SFLYRZDNSA-N 1 0 452.986 4.023 20 0 JIADRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)CCO2 ZINC000849557322 1069203086 /nfs/dbraw/zinc/20/30/86/1069203086.db2.gz YZVJMXKXZXNKNB-LGPLSSKUSA-N 1 0 474.605 4.017 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556948 1069203313 /nfs/dbraw/zinc/20/33/13/1069203313.db2.gz DQSKHYATRJOVFR-HYZYYIOASA-N 1 0 494.611 4.296 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849555805 1069203501 /nfs/dbraw/zinc/20/35/01/1069203501.db2.gz TYCXSNIOGFHZFW-YADHBBJMSA-N 1 0 462.560 4.491 20 0 JIADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849560669 1069210099 /nfs/dbraw/zinc/21/00/99/1069210099.db2.gz DKADEKVCYKJMCU-NJDAHSKKSA-N 1 0 461.448 4.134 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001300610696 1069215960 /nfs/dbraw/zinc/21/59/60/1069215960.db2.gz RITLNGOKRNUNHO-OAQYLSRUSA-N 1 0 468.671 4.097 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568447 1069219145 /nfs/dbraw/zinc/21/91/45/1069219145.db2.gz OJRGLYDGBQHOLL-FGZHOGPDSA-N 1 0 468.646 4.252 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849569436 1069220283 /nfs/dbraw/zinc/22/02/83/1069220283.db2.gz UCWOZBWDHPHQTL-FCHUYYIVSA-N 1 0 472.058 4.370 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569679 1069221228 /nfs/dbraw/zinc/22/12/28/1069221228.db2.gz VPGIMNTWPIGKIV-NHCUHLMSSA-N 1 0 476.968 4.483 20 0 JIADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849569793 1069221409 /nfs/dbraw/zinc/22/14/09/1069221409.db2.gz VTXJIIZDDFNISG-QZTJIDSGSA-N 1 0 492.418 4.204 20 0 JIADRO CCOC(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571300 1069221896 /nfs/dbraw/zinc/22/18/96/1069221896.db2.gz FJCFHECQXGSUEZ-GMAHTHKFSA-N 1 0 478.618 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572384 1069223130 /nfs/dbraw/zinc/22/31/30/1069223130.db2.gz OGARFEFORJMIAK-ROUUACIJSA-N 1 0 487.364 4.332 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571543 1069223379 /nfs/dbraw/zinc/22/33/79/1069223379.db2.gz JGPJPQFAKDSGOA-DNQXCXABSA-N 1 0 481.438 4.447 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849573935 1069225339 /nfs/dbraw/zinc/22/53/39/1069225339.db2.gz VIJNYDBWINQEQV-ARNLJNQMSA-N 1 0 466.029 4.383 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576316 1069228495 /nfs/dbraw/zinc/22/84/95/1069228495.db2.gz CLPLRJXGTBXYOI-WOJBJXKFSA-N 1 0 469.948 4.139 20 0 JIADRO CC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1cc(F)cc(Br)c1 ZINC000849576971 1069229033 /nfs/dbraw/zinc/22/90/33/1069229033.db2.gz LKMFFSDJZNHTCW-ACRUOGEOSA-N 1 0 465.411 4.403 20 0 JIADRO COc1ccccc1N1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001300615792 1069229808 /nfs/dbraw/zinc/22/98/08/1069229808.db2.gz YICLNFPLKPUBCO-NRFANRHFSA-N 1 0 468.690 4.322 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849578243 1069229996 /nfs/dbraw/zinc/22/99/96/1069229996.db2.gz LAWBMVJIFLUMAP-ZWKOTPCHSA-N 1 0 479.850 4.235 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849580741 1069232452 /nfs/dbraw/zinc/23/24/52/1069232452.db2.gz CGIVYTAXJSMKSS-SFTDATJTSA-N 1 0 466.523 4.240 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849581148 1069232551 /nfs/dbraw/zinc/23/25/51/1069232551.db2.gz FIFAUDYTYYQNAC-RTBURBONSA-N 1 0 467.839 4.309 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849581155 1069232604 /nfs/dbraw/zinc/23/26/04/1069232604.db2.gz FLQPKBGHQQLOHE-SFTDATJTSA-N 1 0 450.549 4.347 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849582030 1069233030 /nfs/dbraw/zinc/23/30/30/1069233030.db2.gz KDURYRVXCHZBGA-KBPBESRZSA-N 1 0 480.407 4.384 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300618381 1069235126 /nfs/dbraw/zinc/23/51/26/1069235126.db2.gz DBDQEMRHVOTRKG-LJQANCHMSA-N 1 0 485.032 4.390 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849586589 1069237791 /nfs/dbraw/zinc/23/77/91/1069237791.db2.gz QFDRGPHXBDPAHF-VBSBHUPXSA-N 1 0 477.422 4.198 20 0 JIADRO Cc1sc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000849588410 1069239985 /nfs/dbraw/zinc/23/99/85/1069239985.db2.gz XIKKZCRDVUEDGV-LEWJYISDSA-N 1 0 492.649 4.189 20 0 JIADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492576212 1069240359 /nfs/dbraw/zinc/24/03/59/1069240359.db2.gz LSGCVVOLRUAEDN-HSZRJFAPSA-N 1 0 451.663 4.140 20 0 JIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(I)ccc1F ZINC001354466254 1069240854 /nfs/dbraw/zinc/24/08/54/1069240854.db2.gz PWPJELDHRFLRST-MRXNPFEDSA-N 1 0 452.311 4.024 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cn1 ZINC000849591459 1069241903 /nfs/dbraw/zinc/24/19/03/1069241903.db2.gz IZJQNNNTQXMUBD-IEZWGBDMSA-N 1 0 468.816 4.164 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001354467246 1069242475 /nfs/dbraw/zinc/24/24/75/1069242475.db2.gz IWXWLQVDEMIQDY-HXUWFJFHSA-N 1 0 457.372 4.083 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H](c2cnn(C)c2)C1 ZINC000849590546 1069242720 /nfs/dbraw/zinc/24/27/20/1069242720.db2.gz BSLTWFGLWPSUFD-RBUKOAKNSA-N 1 0 463.598 4.050 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590944 1069242935 /nfs/dbraw/zinc/24/29/35/1069242935.db2.gz FPPWRORWWVXOMP-BHDDXSALSA-N 1 0 464.532 4.400 20 0 JIADRO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000849595331 1069247078 /nfs/dbraw/zinc/24/70/78/1069247078.db2.gz IUTDSCXFBANAFI-ZEYPLWLESA-N 1 0 477.584 4.033 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849594691 1069247678 /nfs/dbraw/zinc/24/76/78/1069247678.db2.gz HIELFEIJNUUNKX-PMACEKPBSA-N 1 0 460.504 4.077 20 0 JIADRO Cc1sc(C2(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596370 1069248447 /nfs/dbraw/zinc/24/84/47/1069248447.db2.gz MTZQFDBTXLUHKL-ICSRJNTNSA-N 1 0 467.614 4.222 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596197 1069248540 /nfs/dbraw/zinc/24/85/40/1069248540.db2.gz LQHPQSWSMNRWPM-BMGDILEWSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849596092 1069249193 /nfs/dbraw/zinc/24/91/93/1069249193.db2.gz MVCHGNAMFBGFGT-UIOOFZCWSA-N 1 0 483.620 4.180 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849596868 1069253270 /nfs/dbraw/zinc/25/32/70/1069253270.db2.gz PWRYIKWBJPCAFB-RCZSKKKRSA-N 1 0 473.459 4.436 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849599140 1069255007 /nfs/dbraw/zinc/25/50/07/1069255007.db2.gz LAZHPSPXZNTZDD-DHIUTWEWSA-N 1 0 467.614 4.123 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599429 1069255526 /nfs/dbraw/zinc/25/55/26/1069255526.db2.gz NMEJWSJPHPOHPJ-ZWKOTPCHSA-N 1 0 469.577 4.116 20 0 JIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001300625272 1069256262 /nfs/dbraw/zinc/25/62/62/1069256262.db2.gz WWQTWUAFMVGKPX-BGYRXZFFSA-N 1 0 459.034 4.333 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849599818 1069256905 /nfs/dbraw/zinc/25/69/05/1069256905.db2.gz DDQOHZFUDQBQQN-GVAUOCQISA-N 1 0 495.668 4.055 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](c2cnn(C)c2)C1 ZINC000849600757 1069257986 /nfs/dbraw/zinc/25/79/86/1069257986.db2.gz GDBBUUVNIFZGCV-ROUUACIJSA-N 1 0 460.504 4.077 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849603563 1069261214 /nfs/dbraw/zinc/26/12/14/1069261214.db2.gz RBKFTAFRMBZOOJ-FKBYEOEOSA-N 1 0 473.459 4.230 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849606658 1069263169 /nfs/dbraw/zinc/26/31/69/1069263169.db2.gz QMUDJXQSNWISAY-XPIZARPCSA-N 1 0 465.495 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849608120 1069264182 /nfs/dbraw/zinc/26/41/82/1069264182.db2.gz MZKBQKIFPDFNLO-TZRRMPRUSA-N 1 0 495.668 4.107 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300628058 1069266713 /nfs/dbraw/zinc/26/67/13/1069266713.db2.gz PXBRSHVJAPMWKH-DNVJHFABSA-N 1 0 485.673 4.237 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C[C@@H]2CCOC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492576700 1069268125 /nfs/dbraw/zinc/26/81/25/1069268125.db2.gz BHCOAZZNRDFJJP-ZDXQCDESSA-N 1 0 453.675 4.408 20 0 JIADRO Cc1ccc(Sc2nsc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849612468 1069272089 /nfs/dbraw/zinc/27/20/89/1069272089.db2.gz LJIMEDHEWJVARU-RBUKOAKNSA-N 1 0 456.641 4.184 20 0 JIADRO CSc1ccc(-c2nsc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849613262 1069274317 /nfs/dbraw/zinc/27/43/17/1069274317.db2.gz QTQFLPBNJGEELO-OALUTQOASA-N 1 0 456.641 4.113 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612649 1069275716 /nfs/dbraw/zinc/27/57/16/1069275716.db2.gz MPXGSUUVRGPWNW-MOPGFXCFSA-N 1 0 459.497 4.129 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300630752 1069277169 /nfs/dbraw/zinc/27/71/69/1069277169.db2.gz JRPFMGYXGZDXFW-UHFFFAOYSA-N 1 0 484.670 4.389 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300632955 1069285121 /nfs/dbraw/zinc/28/51/21/1069285121.db2.gz PNSHOPGSFASZPM-VHSZZVNMSA-N 1 0 485.673 4.239 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300638901 1069300598 /nfs/dbraw/zinc/30/05/98/1069300598.db2.gz GKPOYBFMRHFFSZ-SFTDATJTSA-N 1 0 485.673 4.237 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCCC(C)(C)C ZINC001300639787 1069303728 /nfs/dbraw/zinc/30/37/28/1069303728.db2.gz PKIGYZKHPKSHAK-UHFFFAOYSA-N 1 0 485.673 4.241 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC(C)(C)SC ZINC001300640619 1069306494 /nfs/dbraw/zinc/30/64/94/1069306494.db2.gz XOCNMGBXCPPZRQ-HXUWFJFHSA-N 1 0 473.687 4.320 20 0 JIADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164386886 718803366 /nfs/dbraw/zinc/80/33/66/718803366.db2.gz GPJQLYMNIORUJL-UHFFFAOYSA-N 1 0 471.671 4.275 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164614542 719011315 /nfs/dbraw/zinc/01/13/15/719011315.db2.gz FVXHKHDYOHSJHS-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164613992 719019411 /nfs/dbraw/zinc/01/94/11/719019411.db2.gz BHIICELOVABLFF-GOPGUHFVSA-N 1 0 490.860 4.091 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC2)CC1 ZINC001164617456 719028847 /nfs/dbraw/zinc/02/88/47/719028847.db2.gz MBLGWVUPTVLRFM-UHFFFAOYSA-N 1 0 452.933 4.072 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)CC2)CC1 ZINC001164617895 719035157 /nfs/dbraw/zinc/03/51/57/719035157.db2.gz OYKYALLYDNXJLB-UHFFFAOYSA-N 1 0 474.989 4.175 20 0 JIADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccccc21 ZINC001164629681 719140104 /nfs/dbraw/zinc/14/01/04/719140104.db2.gz BUVPHARDHBEEJP-RUZDIDTESA-N 1 0 492.664 4.034 20 0 JIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)n1 ZINC001164639657 719267244 /nfs/dbraw/zinc/26/72/44/719267244.db2.gz QOWQCEUVPAQPEZ-UHFFFAOYSA-N 1 0 498.616 4.182 20 0 JIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164658517 719352982 /nfs/dbraw/zinc/35/29/82/719352982.db2.gz HZNVDSKLOVLNEJ-UHFFFAOYSA-N 1 0 486.664 4.251 20 0 JIADRO CSCc1nc2sc3c(c2c(-n2nc(CN(C)C(C)C)c4c2C[NH2+]CC4)n1)CCCC3 ZINC001164680133 719640140 /nfs/dbraw/zinc/64/01/40/719640140.db2.gz PIFUHSXGMORKHE-UHFFFAOYSA-N 1 0 456.685 4.105 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ccc(Cl)cc43)CC2)c2ccccc21 ZINC001164684607 719661620 /nfs/dbraw/zinc/66/16/20/719661620.db2.gz YEXALNPZSCZUDY-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(OCc4ccccc4)n3)CC2)c2ccccc21 ZINC001164680943 719661627 /nfs/dbraw/zinc/66/16/27/719661627.db2.gz JEOLXAHBVJSXKV-XMMPIXPASA-N 1 0 499.659 4.149 20 0 JIADRO Cc1ccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164682932 719662486 /nfs/dbraw/zinc/66/24/86/719662486.db2.gz UBAJSFNMQTYIBB-OAQYLSRUSA-N 1 0 457.622 4.032 20 0 JIADRO Cc1nc2ccc(F)cc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685385 719663006 /nfs/dbraw/zinc/66/30/06/719663006.db2.gz ZXICMKVNYTVOBT-FQEVSTJZSA-N 1 0 475.612 4.171 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c(Cl)ccnc3Cl)CC2)c2ccccc21 ZINC001164680081 719666973 /nfs/dbraw/zinc/66/69/73/719666973.db2.gz BONNIZMOUVBNHN-KRWDZBQOSA-N 1 0 461.437 4.482 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nncc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680010 719669869 /nfs/dbraw/zinc/66/98/69/719669869.db2.gz ATKFJFJPFPFPIP-IBGZPJMESA-N 1 0 478.040 4.377 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nncc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680013 719670121 /nfs/dbraw/zinc/67/01/21/719670121.db2.gz ATKFJFJPFPFPIP-LJQANCHMSA-N 1 0 478.040 4.377 20 0 JIADRO CSc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164681923 719676058 /nfs/dbraw/zinc/67/60/58/719676058.db2.gz OKUGDMKCTVHCKP-HXUWFJFHSA-N 1 0 452.668 4.205 20 0 JIADRO Cc1ccc(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)o1 ZINC001164681860 719679390 /nfs/dbraw/zinc/67/93/90/719679390.db2.gz NTHNLYBBSMUGQR-OAQYLSRUSA-N 1 0 473.621 4.138 20 0 JIADRO Cc1cc2ccncc2nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164688278 719680605 /nfs/dbraw/zinc/68/06/05/719680605.db2.gz ZYOSGTRMYVRNKI-JOCHJYFZSA-N 1 0 457.622 4.032 20 0 JIADRO CCc1nc2sccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684504 719681072 /nfs/dbraw/zinc/68/10/72/719681072.db2.gz IYHUUYHTAMHSFD-LJQANCHMSA-N 1 0 477.678 4.347 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(COC4CCC4)cn3)CC2)c2ccccc21 ZINC001164686548 719681729 /nfs/dbraw/zinc/68/17/29/719681729.db2.gz OQGIVEAHKHSQKG-HSZRJFAPSA-N 1 0 476.665 4.244 20 0 JIADRO CSc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(SC)n1 ZINC001164684174 719682740 /nfs/dbraw/zinc/68/27/40/719682740.db2.gz HNCFWSRHDTWSCM-SFHVURJKSA-N 1 0 485.723 4.014 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684427 719682819 /nfs/dbraw/zinc/68/28/19/719682819.db2.gz IKCFRUNFZVFMIX-KRWDZBQOSA-N 1 0 490.479 4.439 20 0 JIADRO CCc1cc2c(ccnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC001164685820 719683021 /nfs/dbraw/zinc/68/30/21/719683021.db2.gz MLDXSABQEGHLRX-HXUWFJFHSA-N 1 0 460.622 4.484 20 0 JIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684432 719683098 /nfs/dbraw/zinc/68/30/98/719683098.db2.gz IKCFRUNFZVFMIX-QGZVFWFLSA-N 1 0 490.479 4.439 20 0 JIADRO O=C1COC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)CN1c1ccccc1 ZINC001164699334 719836767 /nfs/dbraw/zinc/83/67/67/719836767.db2.gz HKUVYOVXABVKOJ-UHFFFAOYSA-N 1 0 488.966 4.059 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694955 719887042 /nfs/dbraw/zinc/88/70/42/719887042.db2.gz IFOMCUGZZVCJNK-UHFFFAOYSA-N 1 0 450.004 4.153 20 0 JIADRO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)c(OC)c1 ZINC001164705347 719900365 /nfs/dbraw/zinc/90/03/65/719900365.db2.gz ARUFLRTWIJLDMG-UHFFFAOYSA-N 1 0 466.607 4.094 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)C2 ZINC001164808560 720085994 /nfs/dbraw/zinc/08/59/94/720085994.db2.gz IDRGYAZUNLDTSV-MUAVYFROSA-N 1 0 488.632 4.402 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164710634 720099607 /nfs/dbraw/zinc/09/96/07/720099607.db2.gz KIRMUNBWSJTPLP-MRXNPFEDSA-N 1 0 472.367 4.231 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164710987 720099829 /nfs/dbraw/zinc/09/98/29/720099829.db2.gz MNWBTCZIZBWUBI-LJQANCHMSA-N 1 0 466.960 4.191 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164710004 720101693 /nfs/dbraw/zinc/10/16/93/720101693.db2.gz FDXQTASCZHZPRK-KRWDZBQOSA-N 1 0 454.924 4.322 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001164812083 720108805 /nfs/dbraw/zinc/10/88/05/720108805.db2.gz OLXOXWSPHHNHQE-UFHPHHKVSA-N 1 0 455.606 4.390 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001164812084 720109144 /nfs/dbraw/zinc/10/91/44/720109144.db2.gz OLXOXWSPHHNHQE-YWEHKCAJSA-N 1 0 455.606 4.390 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164714280 720109659 /nfs/dbraw/zinc/10/96/59/720109659.db2.gz BIYCINOOZVFTLE-HXUWFJFHSA-N 1 0 471.696 4.248 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815934 720110300 /nfs/dbraw/zinc/11/03/00/720110300.db2.gz XPWXRAQIQWGRCP-QVKFZJNVSA-N 1 0 454.924 4.152 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164717405 720114219 /nfs/dbraw/zinc/11/42/19/720114219.db2.gz OMYROMYDYVWQQR-GOSISDBHSA-N 1 0 455.965 4.325 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164716052 720114989 /nfs/dbraw/zinc/11/49/89/720114989.db2.gz ISSCULJPGJCPNR-GOSISDBHSA-N 1 0 454.924 4.322 20 0 JIADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710406 720128024 /nfs/dbraw/zinc/12/80/24/720128024.db2.gz AXTOXCSZWCGFMC-HSZRJFAPSA-N 1 0 474.605 4.314 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164712266 720138769 /nfs/dbraw/zinc/13/87/69/720138769.db2.gz MEFCTKGLRUFHDK-KRWDZBQOSA-N 1 0 473.408 4.234 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164713112 720145366 /nfs/dbraw/zinc/14/53/66/720145366.db2.gz RAUGAZFYFAGPAZ-HSZRJFAPSA-N 1 0 484.604 4.496 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819811 720170102 /nfs/dbraw/zinc/17/01/02/720170102.db2.gz YITLWXSMDITWAH-NFQMXDRXSA-N 1 0 475.662 4.427 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812450 720175271 /nfs/dbraw/zinc/17/52/71/720175271.db2.gz ASLQXHRHPRVPHF-KSFYIVLOSA-N 1 0 466.960 4.021 20 0 JIADRO Cc1ccc(-c2csc3ncnc(N4CCc5c(nnn5C)[C@H]4COCC[NH+]4CCCC4)c23)cc1 ZINC001164719923 720176962 /nfs/dbraw/zinc/17/69/62/720176962.db2.gz YXNHZBOUBYKDSN-JOCHJYFZSA-N 1 0 489.649 4.011 20 0 JIADRO Cc1ccc(-c2nnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c3ccccc32)cc1C ZINC001164715777 720197112 /nfs/dbraw/zinc/19/71/12/720197112.db2.gz NEZYZHIDJIHPDE-AREMUKBSSA-N 1 0 497.647 4.258 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(OC)c1)C2 ZINC001164815494 720198925 /nfs/dbraw/zinc/19/89/25/720198925.db2.gz ZZBZHFYZQUETOD-MHECFPHRSA-N 1 0 458.990 4.116 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164821279 720306177 /nfs/dbraw/zinc/30/61/77/720306177.db2.gz JPBPDHQFSAZOBK-YADHBBJMSA-N 1 0 461.635 4.270 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)CC1 ZINC001164827459 720346277 /nfs/dbraw/zinc/34/62/77/720346277.db2.gz LPXLWNBFDVNHJT-RTWAWAEBSA-N 1 0 462.972 4.345 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001164822258 720346773 /nfs/dbraw/zinc/34/67/73/720346773.db2.gz CXVWITAODUELJN-UXHICEINSA-N 1 0 486.085 4.259 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001164829166 720352445 /nfs/dbraw/zinc/35/24/45/720352445.db2.gz QSEUJVZJFHNNNK-SFTDATJTSA-N 1 0 470.017 4.142 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164825040 720352703 /nfs/dbraw/zinc/35/27/03/720352703.db2.gz INDGRBRKTOLPAS-SFTDATJTSA-N 1 0 470.017 4.142 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164826682 720353315 /nfs/dbraw/zinc/35/33/15/720353315.db2.gz KTBQGBDKUGFHJH-FGZHOGPDSA-N 1 0 484.044 4.396 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001164830802 720356241 /nfs/dbraw/zinc/35/62/41/720356241.db2.gz XLNIRMWFBMUPCB-UXHICEINSA-N 1 0 478.971 4.451 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164839974 720503449 /nfs/dbraw/zinc/50/34/49/720503449.db2.gz UYVOBBLLLHZBTK-LIONHTAISA-N 1 0 454.659 4.263 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@@H]21 ZINC001164835219 720523765 /nfs/dbraw/zinc/52/37/65/720523765.db2.gz JCNSFUHOJCKSQP-FSSWDIPSSA-N 1 0 491.043 4.102 20 0 JIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164734013 720546473 /nfs/dbraw/zinc/54/64/73/720546473.db2.gz FWZOAOQSYGSEEM-INIZCTEOSA-N 1 0 451.949 4.253 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164837289 720580230 /nfs/dbraw/zinc/58/02/30/720580230.db2.gz HXBSQWXCIXHYSK-FIKGOQFSSA-N 1 0 476.959 4.282 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164837295 720580759 /nfs/dbraw/zinc/58/07/59/720580759.db2.gz HXBSQWXCIXHYSK-WWMYMODYSA-N 1 0 476.959 4.282 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]21 ZINC001164840837 720590400 /nfs/dbraw/zinc/59/04/00/720590400.db2.gz QYJTUOCOEQBAKY-DSITVLBTSA-N 1 0 468.605 4.299 20 0 JIADRO Fc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)c1 ZINC001164743784 720595433 /nfs/dbraw/zinc/59/54/33/720595433.db2.gz QQPSNIJPRYCLJT-UHFFFAOYSA-N 1 0 476.934 4.336 20 0 JIADRO Fc1ccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)cc1 ZINC001164740905 720595492 /nfs/dbraw/zinc/59/54/92/720595492.db2.gz JUOXZZCFLGOSHT-UHFFFAOYSA-N 1 0 476.934 4.336 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835268 720605962 /nfs/dbraw/zinc/60/59/62/720605962.db2.gz AUYPLEBCKNNZDJ-RJGXRXQPSA-N 1 0 493.725 4.478 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843117 720616088 /nfs/dbraw/zinc/61/60/88/720616088.db2.gz WKMWKEBSVQYEDJ-CMKODMSKSA-N 1 0 487.986 4.311 20 0 JIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840786 720625100 /nfs/dbraw/zinc/62/51/00/720625100.db2.gz QSCMONRRJKLBMR-PCCBWWKXSA-N 1 0 475.622 4.434 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC[C@@H]21 ZINC001164840783 720625626 /nfs/dbraw/zinc/62/56/26/720625626.db2.gz QSCMONRRJKLBMR-HKBOAZHASA-N 1 0 475.622 4.434 20 0 JIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC001164839274 720638277 /nfs/dbraw/zinc/63/82/77/720638277.db2.gz NBXOPJNMQGNNOI-JYJNAYRXSA-N 1 0 460.356 4.387 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1Cl ZINC001164842722 720678571 /nfs/dbraw/zinc/67/85/71/720678571.db2.gz MYROKIJGCIJXRL-LJQANCHMSA-N 1 0 479.955 4.326 20 0 JIADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838867 720704326 /nfs/dbraw/zinc/70/43/26/720704326.db2.gz JLDCZSUYZHSLND-AXKGWLQCSA-N 1 0 460.578 4.009 20 0 JIADRO COC(=O)C[C@H](c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840979 720709961 /nfs/dbraw/zinc/70/99/61/720709961.db2.gz UBSWWJKMYLSPTF-DQEYMECFSA-N 1 0 463.622 4.398 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164840332 720713233 /nfs/dbraw/zinc/71/32/33/720713233.db2.gz PKGOQJPOMUMGBR-HSZRJFAPSA-N 1 0 472.589 4.175 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164840299 720716047 /nfs/dbraw/zinc/71/60/47/720716047.db2.gz ORTULFCKYOZQNU-WZONZLPQSA-N 1 0 484.950 4.195 20 0 JIADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737845 720718561 /nfs/dbraw/zinc/71/85/61/720718561.db2.gz HJQDFGCKKAAMAV-PMACEKPBSA-N 1 0 476.943 4.221 20 0 JIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164836846 720728946 /nfs/dbraw/zinc/72/89/46/720728946.db2.gz GHMKTZQUPYVKFP-GOSISDBHSA-N 1 0 452.649 4.190 20 0 JIADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001164837462 720737870 /nfs/dbraw/zinc/73/78/70/720737870.db2.gz KNRXCSYXQVRAOO-UHFFFAOYSA-N 1 0 454.041 4.074 20 0 JIADRO Fc1ccc2nc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)nc(Cl)c2c1 ZINC001164838690 720737896 /nfs/dbraw/zinc/73/78/96/720737896.db2.gz XEVPEVNOUZLODW-UHFFFAOYSA-N 1 0 450.896 4.216 20 0 JIADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739433 720737880 /nfs/dbraw/zinc/73/78/80/720737880.db2.gz IOUHUSLICJBGBV-IAGOWNOFSA-N 1 0 464.982 4.144 20 0 JIADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164844736 720739554 /nfs/dbraw/zinc/73/95/54/720739554.db2.gz SSPCUUQEOJSFSP-UHFFFAOYSA-N 1 0 467.687 4.399 20 0 JIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739630 720820404 /nfs/dbraw/zinc/82/04/04/720820404.db2.gz HZGYVXMCSDCTSD-IEIRFRATSA-N 1 0 499.997 4.313 20 0 JIADRO Clc1cc(OCc2ccccc2)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743564 720842312 /nfs/dbraw/zinc/84/23/12/720842312.db2.gz JEPXBKQQVMCLGG-TZBSWOFLSA-N 1 0 479.028 4.285 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]2C1 ZINC001164852328 720844357 /nfs/dbraw/zinc/84/43/57/720844357.db2.gz KBSCTUAPRPVITE-PZJWPPBQSA-N 1 0 451.945 4.120 20 0 JIADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745262 720848001 /nfs/dbraw/zinc/84/80/01/720848001.db2.gz NBZMFKSTKZZRPB-WHSBFGAESA-N 1 0 483.595 4.407 20 0 JIADRO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cs1 ZINC001164751062 720848488 /nfs/dbraw/zinc/84/84/88/720848488.db2.gz YFAUBEHZUHVKTH-AWRGLXIESA-N 1 0 471.634 4.329 20 0 JIADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164751233 720852773 /nfs/dbraw/zinc/85/27/73/720852773.db2.gz QYURKYSDQOCJJL-QHWMMSMNSA-N 1 0 495.631 4.276 20 0 JIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752695 720858483 /nfs/dbraw/zinc/85/84/83/720858483.db2.gz UHYXEZWIGXEYEQ-FUPPJEDESA-N 1 0 494.043 4.456 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164852005 720862385 /nfs/dbraw/zinc/86/23/85/720862385.db2.gz BOGYQDJMJOIVSU-WMZHIEFXSA-N 1 0 452.986 4.124 20 0 JIADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752486 720867363 /nfs/dbraw/zinc/86/73/63/720867363.db2.gz NCJYNJTXIQTQAA-FYYLOGMGSA-N 1 0 462.972 4.430 20 0 JIADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752492 720867384 /nfs/dbraw/zinc/86/73/84/720867384.db2.gz NCJYNJTXIQTQAA-JTHBVZDNSA-N 1 0 462.972 4.430 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750078 720868478 /nfs/dbraw/zinc/86/84/78/720868478.db2.gz ITGDKARQQCJMPG-GJZUVCINSA-N 1 0 485.028 4.062 20 0 JIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164862919 720874558 /nfs/dbraw/zinc/87/45/58/720874558.db2.gz SATLLVCVDMCMSH-AUSIDOKSSA-N 1 0 452.986 4.124 20 0 JIADRO COc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164750639 720874875 /nfs/dbraw/zinc/87/48/75/720874875.db2.gz JKZJRAZRVTZXOJ-QPPBQGQZSA-N 1 0 492.998 4.439 20 0 JIADRO c1ccc(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164755310 720880812 /nfs/dbraw/zinc/88/08/12/720880812.db2.gz WLEHLHKFICLPFT-UFHPHHKVSA-N 1 0 471.605 4.419 20 0 JIADRO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2cccnc2n1 ZINC001164757123 720886138 /nfs/dbraw/zinc/88/61/38/720886138.db2.gz SQFNRSLDJQOACT-HFZDXXHNSA-N 1 0 464.013 4.433 20 0 JIADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c1CCCC2 ZINC001164758197 720886225 /nfs/dbraw/zinc/88/62/25/720886225.db2.gz XOENGIHWLLFDKR-QFQXNSOFSA-N 1 0 468.045 4.159 20 0 JIADRO Clc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c1CCCC2 ZINC001164758195 720886279 /nfs/dbraw/zinc/88/62/79/720886279.db2.gz XOENGIHWLLFDKR-HFZDXXHNSA-N 1 0 468.045 4.159 20 0 JIADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756598 720890286 /nfs/dbraw/zinc/89/02/86/720890286.db2.gz QTHZZRNAJBSAAK-QDSKXPNFSA-N 1 0 460.981 4.013 20 0 JIADRO Clc1cc(C2CC2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755017 720891922 /nfs/dbraw/zinc/89/19/22/720891922.db2.gz KHMZRHXQDPTNCC-BWKNWUBXSA-N 1 0 454.018 4.158 20 0 JIADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752611 720892752 /nfs/dbraw/zinc/89/27/52/720892752.db2.gz FLGMQBNAUGZTAE-XXBNENTESA-N 1 0 477.987 4.012 20 0 JIADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164756567 720893894 /nfs/dbraw/zinc/89/38/94/720893894.db2.gz QIVXOTZKYNZNKO-DFHRPNOPSA-N 1 0 468.605 4.261 20 0 JIADRO COc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164750961 720894059 /nfs/dbraw/zinc/89/40/59/720894059.db2.gz CITOTXZXTSATBB-IDISGSTGSA-N 1 0 494.039 4.442 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750753 720894487 /nfs/dbraw/zinc/89/44/87/720894487.db2.gz BSXIESIQPVSQKL-AMGIVPHBSA-N 1 0 499.055 4.370 20 0 JIADRO c1ccc2c(c1)CCc1cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc1-2 ZINC001164754399 720901762 /nfs/dbraw/zinc/90/17/62/720901762.db2.gz ITZZEKQSYKIDNI-PDDLMNHVSA-N 1 0 481.644 4.392 20 0 JIADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164751378 720903985 /nfs/dbraw/zinc/90/39/85/720903985.db2.gz LTGOTVBPYRXNHF-FNZWTVRRSA-N 1 0 481.044 4.324 20 0 JIADRO c1csc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)c1 ZINC001164752685 720916726 /nfs/dbraw/zinc/91/67/26/720916726.db2.gz OJENFLCAOPLFJM-NVQXNPDNSA-N 1 0 461.635 4.355 20 0 JIADRO COc1ccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753164 720917429 /nfs/dbraw/zinc/91/74/29/720917429.db2.gz QQOMCNWDLYWOHE-ABYGYWHVSA-N 1 0 485.632 4.302 20 0 JIADRO Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164755046 720922440 /nfs/dbraw/zinc/92/24/40/720922440.db2.gz XZIFKGKOUDXVLH-GGXMVOPNSA-N 1 0 484.648 4.306 20 0 JIADRO CC(C)c1noc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)n1 ZINC001164750839 720923808 /nfs/dbraw/zinc/92/38/08/720923808.db2.gz KXPJEEXWHIOQIG-RBJSKKJNSA-N 1 0 488.636 4.405 20 0 JIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164752176 720925584 /nfs/dbraw/zinc/92/55/84/720925584.db2.gz NLNWILCNRUGEOK-QCDSWUKFSA-N 1 0 496.659 4.177 20 0 JIADRO CC(C)c1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747846 720931498 /nfs/dbraw/zinc/93/14/98/720931498.db2.gz DMXRNRHPUALKKI-PXDATVDWSA-N 1 0 456.034 4.404 20 0 JIADRO Fc1ccc(-c2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164752117 720933463 /nfs/dbraw/zinc/93/34/63/720933463.db2.gz NDZJATBIKUCBPD-RBJSKKJNSA-N 1 0 473.596 4.433 20 0 JIADRO CCc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)nc1C ZINC001164748428 720935952 /nfs/dbraw/zinc/93/59/52/720935952.db2.gz GBKIGUNVAKHIIM-PXDATVDWSA-N 1 0 456.034 4.151 20 0 JIADRO COc1cc(C)c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755069 720939697 /nfs/dbraw/zinc/93/96/97/720939697.db2.gz YDHKPHZTNMNZRX-FIPFOOKPSA-N 1 0 473.621 4.097 20 0 JIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)[C@H]2C ZINC001164859528 721023616 /nfs/dbraw/zinc/02/36/16/721023616.db2.gz JAHKGWNNOLBSNV-HNNXBMFYSA-N 1 0 452.434 4.392 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164763633 721094066 /nfs/dbraw/zinc/09/40/66/721094066.db2.gz GHNPOFBULHDOPR-LSDHHAIUSA-N 1 0 467.351 4.173 20 0 JIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770448 721099173 /nfs/dbraw/zinc/09/91/73/721099173.db2.gz QHRQIXWLHBVHMR-LEWJYISDSA-N 1 0 472.568 4.136 20 0 JIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863491 721110648 /nfs/dbraw/zinc/11/06/48/721110648.db2.gz CKPYGFDDPSJNSJ-PMACEKPBSA-N 1 0 471.939 4.217 20 0 JIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865990 721112223 /nfs/dbraw/zinc/11/22/23/721112223.db2.gz QVWBFXVRFAYDDE-DLBZAZTESA-N 1 0 459.377 4.425 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164770614 721143578 /nfs/dbraw/zinc/14/35/78/721143578.db2.gz RKSWJHPAMVCBBK-HUUCEWRRSA-N 1 0 467.351 4.173 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164770613 721143791 /nfs/dbraw/zinc/14/37/91/721143791.db2.gz RKSWJHPAMVCBBK-GJZGRUSLSA-N 1 0 467.351 4.173 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164770615 721145156 /nfs/dbraw/zinc/14/51/56/721145156.db2.gz RKSWJHPAMVCBBK-LSDHHAIUSA-N 1 0 467.351 4.173 20 0 JIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870331 721152226 /nfs/dbraw/zinc/15/22/26/721152226.db2.gz CODJNOOHJODWSC-SFTDATJTSA-N 1 0 471.939 4.217 20 0 JIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879136 721176264 /nfs/dbraw/zinc/17/62/64/721176264.db2.gz RXNLUDLJNJCTCM-CABCVRRESA-N 1 0 462.850 4.173 20 0 JIADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765871 721200108 /nfs/dbraw/zinc/20/01/08/721200108.db2.gz IOPUWELSJBZEIK-LEWJYISDSA-N 1 0 459.623 4.062 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@@H]3C2)cn1 ZINC001164772847 721205067 /nfs/dbraw/zinc/20/50/67/721205067.db2.gz VMYLHVRPPZTHLX-OALUTQOASA-N 1 0 458.944 4.034 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164770185 721224591 /nfs/dbraw/zinc/22/45/91/721224591.db2.gz OBQBUHLMXAQYBW-IAGOWNOFSA-N 1 0 455.031 4.039 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@@H]3C2)cn1 ZINC001164770953 721226837 /nfs/dbraw/zinc/22/68/37/721226837.db2.gz PIZNXGHKXPZWMT-MOPGFXCFSA-N 1 0 458.944 4.034 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@@H]3C2)cn1 ZINC001164762712 721226979 /nfs/dbraw/zinc/22/69/79/721226979.db2.gz DLMQCOGAENPIKM-OALUTQOASA-N 1 0 458.944 4.034 20 0 JIADRO Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164760698 721232236 /nfs/dbraw/zinc/23/22/36/721232236.db2.gz GBVBSEGPVRUQCU-FCHUYYIVSA-N 1 0 451.018 4.029 20 0 JIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001164766254 721237946 /nfs/dbraw/zinc/23/79/46/721237946.db2.gz UFMGPZHBVKJKBJ-DLBZAZTESA-N 1 0 459.381 4.268 20 0 JIADRO O=C1NC[C@H](c2ccccc2)C12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164880384 721317358 /nfs/dbraw/zinc/31/73/58/721317358.db2.gz XHUHXLRKAHSZKG-RUZDIDTESA-N 1 0 452.602 4.140 20 0 JIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780181 721376794 /nfs/dbraw/zinc/37/67/94/721376794.db2.gz FHTKZRPBTSBVET-CRICUBBOSA-N 1 0 452.603 4.195 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890478 721397223 /nfs/dbraw/zinc/39/72/23/721397223.db2.gz NMUFQBNXVOHOOC-PIKZIKFNSA-N 1 0 493.602 4.340 20 0 JIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896049 721431588 /nfs/dbraw/zinc/43/15/88/721431588.db2.gz QJTCUCYYAHAEJI-AUUYWEPGSA-N 1 0 483.818 4.352 20 0 JIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884914 721447980 /nfs/dbraw/zinc/44/79/80/721447980.db2.gz CKTPGVCWCLCXEJ-KOSHJBKYSA-N 1 0 464.988 4.240 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889854 721450070 /nfs/dbraw/zinc/45/00/70/721450070.db2.gz PNXOTGDZLSSPQJ-RDPSFJRHSA-N 1 0 492.451 4.341 20 0 JIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889678 721450550 /nfs/dbraw/zinc/45/05/50/721450550.db2.gz PEBBKQORWPRPAL-LVXARBLLSA-N 1 0 486.060 4.250 20 0 JIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001164890331 721451046 /nfs/dbraw/zinc/45/10/46/721451046.db2.gz QXNBJDUZVGNMDJ-ATIYNZHBSA-N 1 0 486.060 4.250 20 0 JIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892751 721453378 /nfs/dbraw/zinc/45/33/78/721453378.db2.gz XVVUMQNJWDOMSL-WMZHIEFXSA-N 1 0 480.987 4.305 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164789358 721457360 /nfs/dbraw/zinc/45/73/60/721457360.db2.gz UWWWUPHRLVGYNQ-SFHVURJKSA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164782866 721457992 /nfs/dbraw/zinc/45/79/92/721457992.db2.gz DAPXZQUTYSVRBF-QHCPKHFHSA-N 1 0 485.072 4.455 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164783624 721458325 /nfs/dbraw/zinc/45/83/25/721458325.db2.gz DWVAGGNIYDUYCM-GOSISDBHSA-N 1 0 462.997 4.156 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164789297 721459996 /nfs/dbraw/zinc/45/99/96/721459996.db2.gz WOWWVCONBZHFAX-IBGZPJMESA-N 1 0 457.993 4.322 20 0 JIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164790228 721462397 /nfs/dbraw/zinc/46/23/97/721462397.db2.gz ZUKQKCVHLHRBIE-LJQANCHMSA-N 1 0 473.008 4.026 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164788827 721467451 /nfs/dbraw/zinc/46/74/51/721467451.db2.gz LOWZIKYPKJOYFE-QHCPKHFHSA-N 1 0 452.643 4.487 20 0 JIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164786282 721470880 /nfs/dbraw/zinc/47/08/80/721470880.db2.gz AKRUDVXVBQNOAP-QHCPKHFHSA-N 1 0 496.652 4.320 20 0 JIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164791664 721473856 /nfs/dbraw/zinc/47/38/56/721473856.db2.gz XIYLPMOVASPQDO-TZIWHRDSSA-N 1 0 455.647 4.205 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164894366 721479341 /nfs/dbraw/zinc/47/93/41/721479341.db2.gz HMDVSZSGIMJYTA-WMMXXEOUSA-N 1 0 472.649 4.068 20 0 JIADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1Cl ZINC001164791629 721490526 /nfs/dbraw/zinc/49/05/26/721490526.db2.gz CYFHZYPWDJBGPQ-UHFFFAOYSA-N 1 0 479.959 4.128 20 0 JIADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164795134 721501983 /nfs/dbraw/zinc/50/19/83/721501983.db2.gz DUYVLQUTRWCJMV-UHFFFAOYSA-N 1 0 456.594 4.313 20 0 JIADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164904662 721563573 /nfs/dbraw/zinc/56/35/73/721563573.db2.gz FCOQSOIGHOUMKM-WMZHIEFXSA-N 1 0 450.514 4.067 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909873 721566031 /nfs/dbraw/zinc/56/60/31/721566031.db2.gz VBILYIBXBXNJQO-HKUYNNGSSA-N 1 0 470.932 4.412 20 0 JIADRO CN(C)C(=O)[C@@H]1CC12CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164905455 721570085 /nfs/dbraw/zinc/57/00/85/721570085.db2.gz ZMWFMFFHVUGUPB-QFIPXVFZSA-N 1 0 495.067 4.451 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804351 721583428 /nfs/dbraw/zinc/58/34/28/721583428.db2.gz JQJUXDHEJUJDBK-KIFXHHALSA-N 1 0 453.949 4.199 20 0 JIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccc(Cl)nn3)ccc2F)[C@H]2CCCO[C@@H]12 ZINC001164799315 721583809 /nfs/dbraw/zinc/58/38/09/721583809.db2.gz AREHFVRKASNTJU-BGWNEDDSSA-N 1 0 453.949 4.199 20 0 JIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904901 721585701 /nfs/dbraw/zinc/58/57/01/721585701.db2.gz HNMLENJFOLFZNZ-QFIPXVFZSA-N 1 0 464.944 4.353 20 0 JIADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906274 721586479 /nfs/dbraw/zinc/58/64/79/721586479.db2.gz NBDZUONQGZPPEE-OAQYLSRUSA-N 1 0 450.917 4.044 20 0 JIADRO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)Oc2ccccc21 ZINC001164804271 721593583 /nfs/dbraw/zinc/59/35/83/721593583.db2.gz YEYXUDQXIUBCLK-JOCHJYFZSA-N 1 0 462.638 4.496 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165008037 721692003 /nfs/dbraw/zinc/69/20/03/721692003.db2.gz IBYCKMAGOCLFCX-VYRPMTAESA-N 1 0 463.626 4.426 20 0 JIADRO FC1(F)CCN(c2cncc(OCc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908012 721693181 /nfs/dbraw/zinc/69/31/81/721693181.db2.gz XZHLPHKHWMLXAN-XMMPIXPASA-N 1 0 451.521 4.188 20 0 JIADRO COC(=O)c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164904066 721696659 /nfs/dbraw/zinc/69/66/59/721696659.db2.gz CVCXLUQRQIEJFV-HXUWFJFHSA-N 1 0 486.897 4.199 20 0 JIADRO COc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904956 721702455 /nfs/dbraw/zinc/70/24/55/721702455.db2.gz FWHPPMVCAWJNLP-QFIPXVFZSA-N 1 0 459.928 4.425 20 0 JIADRO O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCc2ccccc21 ZINC001164906984 721722539 /nfs/dbraw/zinc/72/25/39/721722539.db2.gz PDYYNFCJKLCAOA-MHZLTWQESA-N 1 0 489.570 4.417 20 0 JIADRO Cc1nc(C)c(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)s1 ZINC001164913380 721731398 /nfs/dbraw/zinc/73/13/98/721731398.db2.gz UWLNIPLTUMQKGX-QFIPXVFZSA-N 1 0 456.566 4.350 20 0 JIADRO O=C1N(c2cccnc2)CC[C@]12CN(c1ncccc1C[NH+]1CCCC1)C[C@H]2c1ccccc1 ZINC001164912839 721742188 /nfs/dbraw/zinc/74/21/88/721742188.db2.gz QNIXFEUKPYWQHA-LBNVMWSVSA-N 1 0 453.590 4.100 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1 ZINC001165012574 721754289 /nfs/dbraw/zinc/75/42/89/721754289.db2.gz FDFKBPYUBSVTCF-YAOOYPAMSA-N 1 0 491.680 4.004 20 0 JIADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165020388 721806186 /nfs/dbraw/zinc/80/61/86/721806186.db2.gz FLYAWYHCFGIKGT-ZYSHUDEJSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165018947 721809684 /nfs/dbraw/zinc/80/96/84/721809684.db2.gz BBYBSCRMWIDJSA-RXWNPYQGSA-N 1 0 468.649 4.167 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)C[C@H]21 ZINC001165026220 721811567 /nfs/dbraw/zinc/81/15/67/721811567.db2.gz PNSLRNHIUPPEFR-WLRLJWMZSA-N 1 0 482.032 4.311 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019747 721815783 /nfs/dbraw/zinc/81/57/83/721815783.db2.gz BPLJCLNFQBMHRG-KFKAGJAMSA-N 1 0 464.944 4.198 20 0 JIADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019746 721815951 /nfs/dbraw/zinc/81/59/51/721815951.db2.gz BPLJCLNFQBMHRG-IPELMVKDSA-N 1 0 464.944 4.198 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@@H]21 ZINC001165026483 721816956 /nfs/dbraw/zinc/81/69/56/721816956.db2.gz QTNJGLVDPNFLHB-VDZJLULYSA-N 1 0 458.944 4.355 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@H]21 ZINC001165026481 721817260 /nfs/dbraw/zinc/81/72/60/721817260.db2.gz QTNJGLVDPNFLHB-SZVBFZGTSA-N 1 0 458.944 4.355 20 0 JIADRO COC(=O)c1cc2c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001165027445 721818888 /nfs/dbraw/zinc/81/88/88/721818888.db2.gz USLIFCIXYUOPNL-XERREHJYSA-N 1 0 453.974 4.135 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@@H]21 ZINC001165027152 721820702 /nfs/dbraw/zinc/82/07/02/721820702.db2.gz SQNCPSLBFOSMLR-MOXGXCLJSA-N 1 0 458.944 4.355 20 0 JIADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025338 721823364 /nfs/dbraw/zinc/82/33/64/721823364.db2.gz MSRKGRWTJPHWCO-QSFXBCCZSA-N 1 0 464.944 4.198 20 0 JIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1OC ZINC001165018861 721828429 /nfs/dbraw/zinc/82/84/29/721828429.db2.gz AMGPKPVPRLXHTL-BPUDTRNYSA-N 1 0 489.620 4.301 20 0 JIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022070 721841297 /nfs/dbraw/zinc/84/12/97/721841297.db2.gz PCFUCUNSUNMJIK-UHFFFAOYSA-N 1 0 484.984 4.188 20 0 JIADRO COC(=O)C[C@@H](c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1)C1CC1 ZINC001165023142 721843322 /nfs/dbraw/zinc/84/33/22/721843322.db2.gz XTKLNMBLGYZMFM-JOCHJYFZSA-N 1 0 467.610 4.256 20 0 JIADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164945818 721975480 /nfs/dbraw/zinc/97/54/80/721975480.db2.gz GNLYIRJVKPLUMH-UHFFFAOYSA-N 1 0 465.601 4.056 20 0 JIADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[NH+](CCc5ccccn5)CC4)c23)C1 ZINC001165055301 722017543 /nfs/dbraw/zinc/01/75/43/722017543.db2.gz PGFSJMOLYNEZAM-FQEVSTJZSA-N 1 0 476.694 4.172 20 0 JIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164959918 722024243 /nfs/dbraw/zinc/02/42/43/722024243.db2.gz JKIZIQPQAAUDSS-UHFFFAOYSA-N 1 0 460.916 4.217 20 0 JIADRO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164960897 722030394 /nfs/dbraw/zinc/03/03/94/722030394.db2.gz UYMPBCQTFJEDAV-AQNXPRMDSA-N 1 0 480.918 4.006 20 0 JIADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959452 722053730 /nfs/dbraw/zinc/05/37/30/722053730.db2.gz JSBTYBZABQPDTD-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO Clc1cc(Cc2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960650 722058173 /nfs/dbraw/zinc/05/81/73/722058173.db2.gz FWWNDDHEIYIYKJ-UHFFFAOYSA-N 1 0 464.013 4.235 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961545 722061154 /nfs/dbraw/zinc/06/11/54/722061154.db2.gz LPMVLAHXRJCKOG-UHFFFAOYSA-N 1 0 459.594 4.056 20 0 JIADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981034 722118221 /nfs/dbraw/zinc/11/82/21/722118221.db2.gz SBWJTTNUAXDUPJ-RDPSFJRHSA-N 1 0 495.986 4.249 20 0 JIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978879 722141531 /nfs/dbraw/zinc/14/15/31/722141531.db2.gz KGDBQFWXTBTHQV-FTJBHMTQSA-N 1 0 482.632 4.219 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981508 722146932 /nfs/dbraw/zinc/14/69/32/722146932.db2.gz PDPPHYSARDVLEK-WMZHIEFXSA-N 1 0 453.949 4.058 20 0 JIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978900 722150470 /nfs/dbraw/zinc/15/04/70/722150470.db2.gz KOHXENJTABIESO-OFNKIYASSA-N 1 0 485.966 4.464 20 0 JIADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164975164 722151124 /nfs/dbraw/zinc/15/11/24/722151124.db2.gz DZRQMWLRTCKPBI-LSYYVWMOSA-N 1 0 484.648 4.256 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1 ZINC001164989777 722187334 /nfs/dbraw/zinc/18/73/34/722187334.db2.gz JWVWZKQJMUSCRG-SLQPCKNISA-N 1 0 482.694 4.201 20 0 JIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164991473 722187974 /nfs/dbraw/zinc/18/79/74/722187974.db2.gz QTFTULPKYPQPEL-XMMPIXPASA-N 1 0 475.637 4.257 20 0 JIADRO CCOC(Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)OCC ZINC001164996221 722199553 /nfs/dbraw/zinc/19/95/53/722199553.db2.gz RTJYAHBREQXGGN-DEOSSOPVSA-N 1 0 462.997 4.456 20 0 JIADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995957 722204956 /nfs/dbraw/zinc/20/49/56/722204956.db2.gz QLZLNOGKTKXJDS-HHHXNRCGSA-N 1 0 461.585 4.400 20 0 JIADRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001165004653 722257635 /nfs/dbraw/zinc/25/76/35/722257635.db2.gz UNUBHJUFCHQMNX-UHFFFAOYSA-N 1 0 469.033 4.023 20 0 JIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165005796 722270318 /nfs/dbraw/zinc/27/03/18/722270318.db2.gz KDQBEAZXOLJUAO-RPLLCQBOSA-N 1 0 465.617 4.085 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCC(F)(F)F ZINC001300642418 1069310916 /nfs/dbraw/zinc/31/09/16/1069310916.db2.gz LRTBBIJBFHOQSO-UHFFFAOYSA-N 1 0 455.525 4.175 20 0 JIADRO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001492592119 1069316802 /nfs/dbraw/zinc/31/68/02/1069316802.db2.gz CGJNIIQQYYLWSS-OFNKIYASSA-N 1 0 498.672 4.014 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300646015 1069318895 /nfs/dbraw/zinc/31/88/95/1069318895.db2.gz FHEGRBHXYYTHBD-ZWKOTPCHSA-N 1 0 475.540 4.243 20 0 JIADRO COc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001300653599 1069343364 /nfs/dbraw/zinc/34/33/64/1069343364.db2.gz XRVGYHVXXWAICR-UHFFFAOYSA-N 1 0 494.640 4.017 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001300658069 1069360153 /nfs/dbraw/zinc/36/01/53/1069360153.db2.gz AITRUJVXZRHWRR-FQEVSTJZSA-N 1 0 471.646 4.134 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300660830 1069370345 /nfs/dbraw/zinc/37/03/45/1069370345.db2.gz JTFBHYDWJXFYCJ-OYRHEFFESA-N 1 0 487.689 4.278 20 0 JIADRO COc1ccccc1OCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300661837 1069375195 /nfs/dbraw/zinc/37/51/95/1069375195.db2.gz YBGDSFYVUAXBAL-VQTJNVASSA-N 1 0 473.687 4.318 20 0 JIADRO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300662235 1069377591 /nfs/dbraw/zinc/37/75/91/1069377591.db2.gz ZCFLZHRPKLHTQK-IRLDBZIGSA-N 1 0 478.641 4.293 20 0 JIADRO COc1ccccc1SCc1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300668353 1069393691 /nfs/dbraw/zinc/39/36/91/1069393691.db2.gz YJKMBQSOCWSMJX-NHCUHLMSSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001300668183 1069393945 /nfs/dbraw/zinc/39/39/45/1069393945.db2.gz ANJMBQOPQQUKEA-JOCHJYFZSA-N 1 0 473.687 4.172 20 0 JIADRO COc1ccccc1SCc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001300670698 1069403034 /nfs/dbraw/zinc/40/30/34/1069403034.db2.gz VOWMDOUGGKECHL-FXAWDEMLSA-N 1 0 499.603 4.221 20 0 JIADRO C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359348010 1069422963 /nfs/dbraw/zinc/42/29/63/1069422963.db2.gz YGSQBONZBZMSQJ-VUHHOQONSA-N 1 0 478.666 4.418 20 0 JIADRO COc1ccccc1SCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(F)cn1 ZINC001300676530 1069424903 /nfs/dbraw/zinc/42/49/03/1069424903.db2.gz GYNXOQBLGSSQGD-UHFFFAOYSA-N 1 0 470.618 4.082 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001359351280 1069432420 /nfs/dbraw/zinc/43/24/20/1069432420.db2.gz DZURNYJFMYFGQS-UHFFFAOYSA-N 1 0 478.641 4.182 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359354366 1069439011 /nfs/dbraw/zinc/43/90/11/1069439011.db2.gz LGPGYZFTFMTVRK-QHCPKHFHSA-N 1 0 496.700 4.186 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001359354299 1069439139 /nfs/dbraw/zinc/43/91/39/1069439139.db2.gz IKSBLTXUPFUTJU-UHFFFAOYSA-N 1 0 496.700 4.222 20 0 JIADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359353929 1069437831 /nfs/dbraw/zinc/43/78/31/1069437831.db2.gz SXCUKWIBGCVQMN-DHLKQENFSA-N 1 0 480.701 4.224 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCOC(C)(C)C ZINC001300680226 1069443697 /nfs/dbraw/zinc/44/36/97/1069443697.db2.gz VJXFOHWHVUPHEE-FQEVSTJZSA-N 1 0 473.687 4.459 20 0 JIADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359356586 1069444505 /nfs/dbraw/zinc/44/45/05/1069444505.db2.gz OPEWOBKRCNUDHL-HXUWFJFHSA-N 1 0 473.065 4.168 20 0 JIADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001359380909 1069485660 /nfs/dbraw/zinc/48/56/60/1069485660.db2.gz VEJLUMWDXAANRM-UTKZUKDTSA-N 1 0 495.018 4.023 20 0 JIADRO 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CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359629575 1070141044 /nfs/dbraw/zinc/14/10/44/1070141044.db2.gz XXJVFWGSDUKUOY-FTJBHMTQSA-N 1 0 494.728 4.172 20 0 JIADRO CC(C)C(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359631194 1070149733 /nfs/dbraw/zinc/14/97/33/1070149733.db2.gz SUCSQPQHTMTOSB-LJQANCHMSA-N 1 0 491.055 4.212 20 0 JIADRO CC(C)C(=O)NCCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359635247 1070163178 /nfs/dbraw/zinc/16/31/78/1070163178.db2.gz VOIUOMJAQHQOTI-SFHVURJKSA-N 1 0 489.089 4.362 20 0 JIADRO Cc1ccccc1N1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492596106 1070176275 /nfs/dbraw/zinc/17/62/75/1070176275.db2.gz MLEPKGXZXGUHSK-ZRZAMGCNSA-N 1 0 482.717 4.390 20 0 JIADRO CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359641574 1070177719 /nfs/dbraw/zinc/17/77/19/1070177719.db2.gz QOPRZDMBBFSSJG-URXFXBBRSA-N 1 0 466.674 4.197 20 0 JIADRO 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COc1ccc(Cn2c(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508064 1064430695 /nfs/dbraw/zinc/43/06/95/1064430695.db2.gz QCBWKMQEXRDMNN-NVXWUHKLSA-N 1 0 451.537 4.324 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315510561 1064442944 /nfs/dbraw/zinc/44/29/44/1064442944.db2.gz NHRZBOYIBSJZQA-RBUKOAKNSA-N 1 0 462.038 4.202 20 0 JIADRO COc1ccc(Cl)cc1Cn1c(C(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001315514621 1064459792 /nfs/dbraw/zinc/45/97/92/1064459792.db2.gz VARMITJTVIXYHB-UHFFFAOYSA-N 1 0 475.081 4.107 20 0 JIADRO COc1ccc(F)cc1CN1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315515698 1064463239 /nfs/dbraw/zinc/46/32/39/1064463239.db2.gz QSUVTWDDUVWDPY-QFIPXVFZSA-N 1 0 486.680 4.211 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3cc(C)on3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001315522541 1064491459 /nfs/dbraw/zinc/49/14/59/1064491459.db2.gz BUGCFYUCIPEECS-UHFFFAOYSA-N 1 0 468.602 4.063 20 0 JIADRO 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COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001315531648 1064516834 /nfs/dbraw/zinc/51/68/34/1064516834.db2.gz MEOYHWDNNSKBLV-LJQANCHMSA-N 1 0 463.573 4.222 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001315531506 1064516997 /nfs/dbraw/zinc/51/69/97/1064516997.db2.gz HHHBLVSEJZEFAN-NLFFAJNJSA-N 1 0 473.687 4.175 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCCC(C)(C)C)cc1 ZINC001315532439 1064519719 /nfs/dbraw/zinc/51/97/19/1064519719.db2.gz CURRYAHHTHGXET-JOCHJYFZSA-N 1 0 485.673 4.241 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cscc2C)cc1 ZINC001315533574 1064521420 /nfs/dbraw/zinc/52/14/20/1064521420.db2.gz PRHFWNNPJSJIND-UHFFFAOYSA-N 1 0 455.628 4.251 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC=C(C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315533497 1064521437 /nfs/dbraw/zinc/52/14/37/1064521437.db2.gz PEUKQSBBALXNEM-FGZHOGPDSA-N 1 0 453.631 4.390 20 0 JIADRO 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COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2cccs2)[NH+](C)C)c1 ZINC001315545433 1064551221 /nfs/dbraw/zinc/55/12/21/1064551221.db2.gz AXZHAACGAXMPNI-HSZRJFAPSA-N 1 0 464.639 4.336 20 0 JIADRO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCS[C@@H](C(C)C)C2)[NH+](C)C)c1 ZINC001315545955 1064552406 /nfs/dbraw/zinc/55/24/06/1064552406.db2.gz FKYNKECJEASMIA-RJGXRXQPSA-N 1 0 473.687 4.409 20 0 JIADRO COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccs2)[NH+](C)C)c1 ZINC001315546456 1064554211 /nfs/dbraw/zinc/55/42/11/1064554211.db2.gz IAPRHONASATWCQ-UGKGYDQZSA-N 1 0 455.628 4.182 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)[NH+]2CCCC2)c1 ZINC001315547613 1064557805 /nfs/dbraw/zinc/55/78/05/1064557805.db2.gz SIVXYYWHDTUQIW-NZQKXSOJSA-N 1 0 455.647 4.326 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2nccs2)[NH+](C)C)c1 ZINC001315548198 1064559190 /nfs/dbraw/zinc/55/91/90/1064559190.db2.gz XNFUXOAWNKIGOG-LJQANCHMSA-N 1 0 484.029 4.398 20 0 JIADRO 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ZINC001316235717 1065967539 /nfs/dbraw/zinc/96/75/39/1065967539.db2.gz PPZOWPVZWVJYGH-JOCHJYFZSA-N 1 0 476.065 4.495 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316281218 1066035851 /nfs/dbraw/zinc/03/58/51/1066035851.db2.gz JRNJVZXWSQCPCD-ISGSKPSGSA-N 1 0 461.695 4.243 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCC[N@H+](C)C(C)C ZINC001316287113 1066044033 /nfs/dbraw/zinc/04/40/33/1066044033.db2.gz LDGAHEBTBIBQLY-GPXNEJASSA-N 1 0 455.647 4.035 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001316289318 1066048022 /nfs/dbraw/zinc/04/80/22/1066048022.db2.gz AQSBSXOBBQTHKC-ZJOUEHCJSA-N 1 0 469.621 4.138 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCCCCC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001316289261 1066048112 /nfs/dbraw/zinc/04/81/12/1066048112.db2.gz MYVMCGXCRHJXMM-NHTMILBNSA-N 1 0 455.647 4.293 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001316291687 1066052515 /nfs/dbraw/zinc/05/25/15/1066052515.db2.gz LDVVVGPNIPAIIC-GPJHCHHRSA-N 1 0 479.735 4.092 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001316293808 1066055603 /nfs/dbraw/zinc/05/56/03/1066055603.db2.gz WLGKHWBXRKSYSR-PMVMPFDFSA-N 1 0 455.647 4.292 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001316295095 1066056462 /nfs/dbraw/zinc/05/64/62/1066056462.db2.gz WQRLGVTVGCIBNE-NHTMILBNSA-N 1 0 455.647 4.151 20 0 JIADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001316303821 1066064164 /nfs/dbraw/zinc/06/41/64/1066064164.db2.gz XKTKGSBOXGVOFE-ZDFPQIBNSA-N 1 0 495.590 4.159 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001316313315 1066069332 /nfs/dbraw/zinc/06/93/32/1066069332.db2.gz BFMSVXVCYKWDAH-YSZBQJHXSA-N 1 0 459.610 4.293 20 0 JIADRO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316313815 1066069825 /nfs/dbraw/zinc/06/98/25/1066069825.db2.gz IFPCLQVHDBQRCQ-FPGHNAPASA-N 1 0 494.105 4.351 20 0 JIADRO CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001316315011 1066071100 /nfs/dbraw/zinc/07/11/00/1066071100.db2.gz VWFVBFGKSNGLJY-RTBURBONSA-N 1 0 462.436 4.053 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1OC ZINC001316330544 1066086632 /nfs/dbraw/zinc/08/66/32/1066086632.db2.gz WUPYLWYANPIOCY-NNLJWKLDSA-N 1 0 492.064 4.044 20 0 JIADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001316330485 1066086703 /nfs/dbraw/zinc/08/67/03/1066086703.db2.gz VRZIBTGBDFPVHQ-IQFVJIFQSA-N 1 0 485.673 4.005 20 0 JIADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCCC2)C[C@@H]1OC ZINC001316334086 1066088765 /nfs/dbraw/zinc/08/87/65/1066088765.db2.gz TVGGCVBFJFUQJA-PSWAGMNNSA-N 1 0 485.673 4.013 20 0 JIADRO CSC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316372897 1066125800 /nfs/dbraw/zinc/12/58/00/1066125800.db2.gz VDMSCUPMSKMTAJ-HDICACEKSA-N 1 0 492.759 4.101 20 0 JIADRO CSC(C)(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001316374282 1066131507 /nfs/dbraw/zinc/13/15/07/1066131507.db2.gz VNEQAUKPPMBMTL-SANMLTNESA-N 1 0 487.714 4.173 20 0 JIADRO CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001316375638 1066135561 /nfs/dbraw/zinc/13/55/61/1066135561.db2.gz VBQMGRLBXQVJFL-HXUWFJFHSA-N 1 0 472.703 4.457 20 0 JIADRO CS[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001316377126 1066141006 /nfs/dbraw/zinc/14/10/06/1066141006.db2.gz MWCXEFXKYQAQRG-IBGZPJMESA-N 1 0 477.122 4.345 20 0 JIADRO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001316384628 1066153738 /nfs/dbraw/zinc/15/37/38/1066153738.db2.gz WJEQDCZNOOGTKB-UTKZUKDTSA-N 1 0 456.685 4.096 20 0 JIADRO CS[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1 ZINC001316387462 1066159159 /nfs/dbraw/zinc/15/91/59/1066159159.db2.gz QRNOLZAKLOSXTG-HXUWFJFHSA-N 1 0 470.712 4.092 20 0 JIADRO CS[C@@H](Cn1c(C(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316388423 1066160601 /nfs/dbraw/zinc/16/06/01/1066160601.db2.gz MFSDNDJIUDWUEI-NRFANRHFSA-N 1 0 450.741 4.174 20 0 JIADRO CS[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001316393340 1066168749 /nfs/dbraw/zinc/16/87/49/1066168749.db2.gz IESMDKJKFGPHPJ-YPAWHYETSA-N 1 0 457.688 4.270 20 0 JIADRO CS[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316393570 1066168963 /nfs/dbraw/zinc/16/89/63/1066168963.db2.gz IZJZSKORYIOZGC-IRMYBRCSSA-N 1 0 493.762 4.275 20 0 JIADRO CS[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)(C)C ZINC001316398574 1066176339 /nfs/dbraw/zinc/17/63/39/1066176339.db2.gz PNOAQJFAOMTHDR-HSZRJFAPSA-N 1 0 485.746 4.113 20 0 JIADRO CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001316403303 1066183960 /nfs/dbraw/zinc/18/39/60/1066183960.db2.gz QZZJTJJPUCWYMU-IBGZPJMESA-N 1 0 479.094 4.072 20 0 JIADRO CSC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(Cl)=C(Cl)C2)CC[NH+](C)CC1 ZINC001316406997 1066190607 /nfs/dbraw/zinc/19/06/07/1066190607.db2.gz WBPUDBRAHKSCLT-KRWDZBQOSA-N 1 0 460.475 4.246 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2CCN([C@H](C)c3ccsc3)CC2)CC[NH+](C)CC1 ZINC001316407245 1066190617 /nfs/dbraw/zinc/19/06/17/1066190617.db2.gz LMVHQGRTNOZQTF-HXUWFJFHSA-N 1 0 476.760 4.249 20 0 JIADRO CSC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC001316407706 1066191745 /nfs/dbraw/zinc/19/17/45/1066191745.db2.gz QSAMFZOAEQSAFV-IRLDBZIGSA-N 1 0 457.688 4.270 20 0 JIADRO CSC1(Cn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2cnn(C)c2)CC[NH+](C)CC1 ZINC001316410605 1066198622 /nfs/dbraw/zinc/19/86/22/1066198622.db2.gz YKRHKLPTDDPZOW-UHFFFAOYSA-N 1 0 485.727 4.076 20 0 JIADRO CSC1(Cn2c(CC3CC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC[NH+](C)CC1 ZINC001316411773 1066201378 /nfs/dbraw/zinc/20/13/78/1066201378.db2.gz VTXOQHXGLHXLGR-UHFFFAOYSA-N 1 0 465.614 4.296 20 0 JIADRO CSc1cc(Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)C)CC2)ccn1 ZINC001316415692 1066212635 /nfs/dbraw/zinc/21/26/35/1066212635.db2.gz DMMSECJKRKATJR-UHFFFAOYSA-N 1 0 450.656 4.149 20 0 JIADRO CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001316422370 1066230882 /nfs/dbraw/zinc/23/08/82/1066230882.db2.gz STFKQGFMCAPGQO-UHFFFAOYSA-N 1 0 485.677 4.183 20 0 JIADRO COc1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c3ccccc3n2)cc(OC)c1OC ZINC001324858564 1066231061 /nfs/dbraw/zinc/23/10/61/1066231061.db2.gz UDQDLAWTQNZPBT-IBGZPJMESA-N 1 0 461.562 4.238 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001316424321 1066238961 /nfs/dbraw/zinc/23/89/61/1066238961.db2.gz SDXFSZHLQJUSAY-PLXFJCCSSA-N 1 0 487.714 4.344 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOCC2(C)C)C1 ZINC001316424649 1066240360 /nfs/dbraw/zinc/24/03/60/1066240360.db2.gz VYADTFBQOSIYDX-HXUWFJFHSA-N 1 0 495.640 4.379 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001316425926 1066243792 /nfs/dbraw/zinc/24/37/92/1066243792.db2.gz FDQHLJSEEISYHE-JOCHJYFZSA-N 1 0 450.656 4.480 20 0 JIADRO CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001316426315 1066245984 /nfs/dbraw/zinc/24/59/84/1066245984.db2.gz YGLFEFREYSSDEL-FNZWTVRRSA-N 1 0 484.714 4.269 20 0 JIADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492499380 1066247464 /nfs/dbraw/zinc/24/74/64/1066247464.db2.gz OJORFRGZXAXGMC-WOJBJXKFSA-N 1 0 466.605 4.312 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)CC2)cc1 ZINC001325423992 1066250069 /nfs/dbraw/zinc/25/00/69/1066250069.db2.gz IXPNZRIHNUGIGK-UHFFFAOYSA-N 1 0 461.463 4.082 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001316428577 1066256753 /nfs/dbraw/zinc/25/67/53/1066256753.db2.gz UCSIAMONCXBJHF-VAMGGRTRSA-N 1 0 457.692 4.214 20 0 JIADRO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316429155 1066258764 /nfs/dbraw/zinc/25/87/64/1066258764.db2.gz XERWPKJVHJAESN-HOKHCIIBSA-N 1 0 456.704 4.496 20 0 JIADRO O=C(COC(=O)Cc1coc(-c2ccccc2)n1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001326023667 1066281243 /nfs/dbraw/zinc/28/12/43/1066281243.db2.gz MWUWPAXTFLMVJK-JOCHJYFZSA-N 1 0 467.953 4.034 20 0 JIADRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001316437909 1066291472 /nfs/dbraw/zinc/29/14/72/1066291472.db2.gz SHERSNSNGKXJCE-MOPGFXCFSA-N 1 0 482.069 4.306 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492501227 1066295686 /nfs/dbraw/zinc/29/56/86/1066295686.db2.gz HCCPGTKICKVCCB-IYLMVCPTSA-N 1 0 494.709 4.154 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001316440416 1066298490 /nfs/dbraw/zinc/29/84/90/1066298490.db2.gz STCYOALKAFSKJZ-OAQYLSRUSA-N 1 0 494.750 4.455 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492502061 1066300436 /nfs/dbraw/zinc/30/04/36/1066300436.db2.gz HUZYRRLIBCYOLU-PMACEKPBSA-N 1 0 454.663 4.268 20 0 JIADRO CSC[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001316442079 1066303370 /nfs/dbraw/zinc/30/33/70/1066303370.db2.gz OCDVAZHUGQTBFO-QUCCMNQESA-N 1 0 450.052 4.183 20 0 JIADRO Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001327192182 1066313132 /nfs/dbraw/zinc/31/31/32/1066313132.db2.gz MVYUHIJPPWMAQN-GOSISDBHSA-N 1 0 462.685 4.152 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492503712 1066316574 /nfs/dbraw/zinc/31/65/74/1066316574.db2.gz SJFLOTVLNUCIOV-HSZRJFAPSA-N 1 0 466.605 4.423 20 0 JIADRO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001316446522 1066317817 /nfs/dbraw/zinc/31/78/17/1066317817.db2.gz LKNVVJFQINNLEN-ZWKOTPCHSA-N 1 0 452.068 4.145 20 0 JIADRO Cc1cc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccn1 ZINC001475316840 1066320944 /nfs/dbraw/zinc/32/09/44/1066320944.db2.gz MGNILPAWVVUOID-BJKOFHAPSA-N 1 0 456.011 4.131 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492507530 1066331278 /nfs/dbraw/zinc/33/12/78/1066331278.db2.gz WBTHBRXWULZPSV-KNQAVFIVSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492507532 1066331406 /nfs/dbraw/zinc/33/14/06/1066331406.db2.gz WBTHBRXWULZPSV-UGKGYDQZSA-N 1 0 497.688 4.120 20 0 JIADRO Cc1noc(C2CCN(c3nnc(-c4cccc(C)n4)n3CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001492508915 1066335951 /nfs/dbraw/zinc/33/59/51/1066335951.db2.gz DAYLFFDKHBMXPU-UHFFFAOYSA-N 1 0 466.634 4.233 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492510103 1066339638 /nfs/dbraw/zinc/33/96/38/1066339638.db2.gz HVFOPUGBNREFIP-UHFFFAOYSA-N 1 0 467.706 4.326 20 0 JIADRO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454751 1066341355 /nfs/dbraw/zinc/34/13/55/1066341355.db2.gz UZIFHBHRWQLRKW-RDGATRHJSA-N 1 0 498.741 4.247 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492513795 1066353961 /nfs/dbraw/zinc/35/39/61/1066353961.db2.gz GECVEIZKLNDDIH-NRFANRHFSA-N 1 0 497.688 4.407 20 0 JIADRO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492513943 1066354746 /nfs/dbraw/zinc/35/47/46/1066354746.db2.gz HWPUKCAMOIYHJD-FQEVSTJZSA-N 1 0 480.579 4.461 20 0 JIADRO CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316460665 1066356071 /nfs/dbraw/zinc/35/60/71/1066356071.db2.gz YJQNEBBDPRAVQV-UHFFFAOYSA-N 1 0 467.481 4.244 20 0 JIADRO CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316462785 1066360078 /nfs/dbraw/zinc/36/00/78/1066360078.db2.gz OOCAGQAIBZDHFN-UHFFFAOYSA-N 1 0 464.477 4.383 20 0 JIADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001492516036 1066363334 /nfs/dbraw/zinc/36/33/34/1066363334.db2.gz NUMACEHCKGJWAH-UHFFFAOYSA-N 1 0 493.622 4.379 20 0 JIADRO CSCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316467433 1066371918 /nfs/dbraw/zinc/37/19/18/1066371918.db2.gz VLGLHNCHWBJNJG-BGYRXZFFSA-N 1 0 492.734 4.257 20 0 JIADRO Cc1cccc(-c2nnc(N3CCN(Cc4cccc(Cl)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492518349 1066377421 /nfs/dbraw/zinc/37/74/21/1066377421.db2.gz BRVPRPQJSVYRRW-UHFFFAOYSA-N 1 0 482.076 4.212 20 0 JIADRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001332542617 1066378336 /nfs/dbraw/zinc/37/83/36/1066378336.db2.gz AHBKMTNYPBLBIC-HRAATJIYSA-N 1 0 479.802 4.290 20 0 JIADRO CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001316473908 1066381749 /nfs/dbraw/zinc/38/17/49/1066381749.db2.gz JKUPSZRBOJYQCF-OAHLLOKOSA-N 1 0 467.481 4.099 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCC3)CC2)c1 ZINC001492524229 1066397018 /nfs/dbraw/zinc/39/70/18/1066397018.db2.gz IGVTVZMYNSMISA-UHFFFAOYSA-N 1 0 453.675 4.235 20 0 JIADRO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001316481602 1066397083 /nfs/dbraw/zinc/39/70/83/1066397083.db2.gz BGPXATKRIFTYAV-IBGZPJMESA-N 1 0 473.065 4.362 20 0 JIADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)C2)ccn1 ZINC001334604093 1066397181 /nfs/dbraw/zinc/39/71/81/1066397181.db2.gz SWJVFBBGKQZFAF-INIZCTEOSA-N 1 0 482.806 4.251 20 0 JIADRO Cc1cccc(CC2(O)CCN(c3nnc(CC4CCCC4)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001492524887 1066398904 /nfs/dbraw/zinc/39/89/04/1066398904.db2.gz AXIODMQUKBQWDE-UHFFFAOYSA-N 1 0 453.675 4.233 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316487561 1066411128 /nfs/dbraw/zinc/41/11/28/1066411128.db2.gz QOKXJBVRHFJZEU-ZTNFWEORSA-N 1 0 462.495 4.417 20 0 JIADRO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1F ZINC001316488760 1066417288 /nfs/dbraw/zinc/41/72/88/1066417288.db2.gz AABAQFXJLWNRLH-QUCCMNQESA-N 1 0 478.657 4.061 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCOC(C)(C)C ZINC001316492483 1066431176 /nfs/dbraw/zinc/43/11/76/1066431176.db2.gz MGQDKCWWNNHPMK-GOSISDBHSA-N 1 0 462.038 4.103 20 0 JIADRO C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1F ZINC001316492651 1066432474 /nfs/dbraw/zinc/43/24/74/1066432474.db2.gz PNCCAXYEQJBBGO-LMNJBCLMSA-N 1 0 482.069 4.255 20 0 JIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC(C)(F)F ZINC001316492955 1066434075 /nfs/dbraw/zinc/43/40/75/1066434075.db2.gz WSXWRCGBMLDIPQ-MRXNPFEDSA-N 1 0 453.965 4.333 20 0 JIADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001316497152 1066448486 /nfs/dbraw/zinc/44/84/86/1066448486.db2.gz RQSWKGWBUMTKJK-IYBDPMFKSA-N 1 0 482.854 4.461 20 0 JIADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001316497560 1066450298 /nfs/dbraw/zinc/45/02/98/1066450298.db2.gz ZXVZHLFESIELGH-VAMGGRTRSA-N 1 0 492.709 4.030 20 0 JIADRO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001316499208 1066456976 /nfs/dbraw/zinc/45/69/76/1066456976.db2.gz ONJHQEUMYHCUHE-FCHUYYIVSA-N 1 0 490.693 4.231 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001316504976 1066477419 /nfs/dbraw/zinc/47/74/19/1066477419.db2.gz KMIAGYYEXWJDSL-JXFKEZNVSA-N 1 0 487.446 4.342 20 0 JIADRO C[C@H]1COC(C)(C)CN1c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316506209 1066481838 /nfs/dbraw/zinc/48/18/38/1066481838.db2.gz ICWFPVXRNQHPPH-PXNSSMCTSA-N 1 0 457.619 4.376 20 0 JIADRO FC(F)(Br)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001316507812 1066484741 /nfs/dbraw/zinc/48/47/41/1066484741.db2.gz CDJAVMQVJSPNQC-UHFFFAOYSA-N 1 0 477.357 4.040 20 0 JIADRO FC(F)(F)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001316512713 1066500666 /nfs/dbraw/zinc/50/06/66/1066500666.db2.gz MUDYNXXDRZBREO-AWEZNQCLSA-N 1 0 458.326 4.335 20 0 JIADRO FC(F)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001316517892 1066518917 /nfs/dbraw/zinc/51/89/17/1066518917.db2.gz CYRKCYPRFUYLOK-SFHVURJKSA-N 1 0 484.389 4.054 20 0 JIADRO Fc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCOCC(F)F ZINC001316525824 1066540265 /nfs/dbraw/zinc/54/02/65/1066540265.db2.gz PKIABEVPKFRQOR-HXUWFJFHSA-N 1 0 479.591 4.382 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(OC)cc(Br)c2OC)CC1 ZINC001338348645 1066549498 /nfs/dbraw/zinc/54/94/98/1066549498.db2.gz PGILECORKOYXFM-HNNXBMFYSA-N 1 0 494.405 4.238 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC001338575402 1066564980 /nfs/dbraw/zinc/56/49/80/1066564980.db2.gz QJEXXAXQLKTJGC-UHFFFAOYSA-N 1 0 457.416 4.080 20 0 JIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001338637947 1066566584 /nfs/dbraw/zinc/56/65/84/1066566584.db2.gz JWMVHHJIPMCOFL-UHFFFAOYSA-N 1 0 457.018 4.083 20 0 JIADRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3nccc(C(F)F)n3)CC2)c1 ZINC001492534440 1066580693 /nfs/dbraw/zinc/58/06/93/1066580693.db2.gz AQLTZPKYXYKLSW-UHFFFAOYSA-N 1 0 469.584 4.273 20 0 JIADRO Cc1ccoc1C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001492534512 1066581526 /nfs/dbraw/zinc/58/15/26/1066581526.db2.gz DNQJFLLMHOSQPX-UHFFFAOYSA-N 1 0 492.668 4.219 20 0 JIADRO Cc1cccc(N2CCN(c3nnc(-c4cccn4C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1C ZINC001492535248 1066584433 /nfs/dbraw/zinc/58/44/33/1066584433.db2.gz FYHTZKUXJZVVNM-QHCPKHFHSA-N 1 0 463.674 4.203 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492536961 1066592682 /nfs/dbraw/zinc/59/26/82/1066592682.db2.gz MDFMYDCJCLLZHT-PWWKTKHKSA-N 1 0 496.700 4.123 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492537236 1066593376 /nfs/dbraw/zinc/59/33/76/1066593376.db2.gz SLSPGUHHCYZECQ-QPPBQGQZSA-N 1 0 479.673 4.389 20 0 JIADRO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Br)o3)n2CC[NH+]2CCCC2)c1 ZINC001492537804 1066594962 /nfs/dbraw/zinc/59/49/62/1066594962.db2.gz KFHKQAKAWFUFML-UHFFFAOYSA-N 1 0 474.403 4.253 20 0 JIADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585750 1066607751 /nfs/dbraw/zinc/60/77/51/1066607751.db2.gz XSZUIOSIYHYOPZ-QUCCMNQESA-N 1 0 467.992 4.317 20 0 JIADRO OCCCC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)CC1 ZINC001316586566 1066611057 /nfs/dbraw/zinc/61/10/57/1066611057.db2.gz XNDSQCGUYIDWAZ-UHFFFAOYSA-N 1 0 494.453 4.322 20 0 JIADRO OCCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316587073 1066612599 /nfs/dbraw/zinc/61/25/99/1066612599.db2.gz GKXGWAKUVURKNZ-UHFFFAOYSA-N 1 0 476.463 4.325 20 0 JIADRO OCCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001316588315 1066615205 /nfs/dbraw/zinc/61/52/05/1066615205.db2.gz IJRMVKFGRXQFLC-HXUWFJFHSA-N 1 0 464.079 4.451 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492539417 1066625517 /nfs/dbraw/zinc/62/55/17/1066625517.db2.gz CNGXZBORWAKTLN-FKBYEOEOSA-N 1 0 485.673 4.057 20 0 JIADRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC001474663896 1066628023 /nfs/dbraw/zinc/62/80/23/1066628023.db2.gz UDHAPHLZTLCUBZ-IBGZPJMESA-N 1 0 450.320 4.231 20 0 JIADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492541567 1066649341 /nfs/dbraw/zinc/64/93/41/1066649341.db2.gz HERMDCXXHYVNEO-UPVQGACJSA-N 1 0 469.674 4.395 20 0 JIADRO Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317731233 1066652445 /nfs/dbraw/zinc/65/24/45/1066652445.db2.gz FFXPPAOWVQGXRP-UHFFFAOYSA-N 1 0 461.532 4.016 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492542180 1066654836 /nfs/dbraw/zinc/65/48/36/1066654836.db2.gz LCRGSWGPXWZEGN-CTNGQTDRSA-N 1 0 495.590 4.444 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CCC(=O)N(C)C)c1 ZINC001492543199 1066664161 /nfs/dbraw/zinc/66/41/61/1066664161.db2.gz CZDJLSLFRSSWNV-QHCPKHFHSA-N 1 0 496.700 4.125 20 0 JIADRO Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)cs1 ZINC001492543556 1066667279 /nfs/dbraw/zinc/66/72/79/1066667279.db2.gz PAORLVOAELCLKP-UHFFFAOYSA-N 1 0 454.644 4.140 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492543831 1066675521 /nfs/dbraw/zinc/67/55/21/1066675521.db2.gz ZGKVMMUCINBUJL-HSZRJFAPSA-N 1 0 496.700 4.027 20 0 JIADRO Cc1cc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)ccc1N1CC[NH+](C)CC1 ZINC001317768768 1066678507 /nfs/dbraw/zinc/67/85/07/1066678507.db2.gz KOALEWHMYWAUGR-UHFFFAOYSA-N 1 0 455.562 4.226 20 0 JIADRO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)c1C ZINC001317768602 1066678559 /nfs/dbraw/zinc/67/85/59/1066678559.db2.gz GJTDPRIFCDDYFH-UHFFFAOYSA-N 1 0 492.645 4.417 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492544327 1066680837 /nfs/dbraw/zinc/68/08/37/1066680837.db2.gz LYAPGDUPUROCHA-NRFANRHFSA-N 1 0 455.647 4.434 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492544437 1066681447 /nfs/dbraw/zinc/68/14/47/1066681447.db2.gz OSXOOEMUPLFYCY-AREMUKBSSA-N 1 0 487.714 4.387 20 0 JIADRO O=C(CSc1ncccc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)OCO2 ZINC001317815117 1066704423 /nfs/dbraw/zinc/70/44/23/1066704423.db2.gz IPRYPOIIEBIMLJ-UHFFFAOYSA-N 1 0 490.585 4.389 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492544698 1066708930 /nfs/dbraw/zinc/70/89/30/1066708930.db2.gz WDQNSFACTSGVBF-RBUKOAKNSA-N 1 0 451.537 4.429 20 0 JIADRO Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1N1CCCC1=O ZINC001317830234 1066716205 /nfs/dbraw/zinc/71/62/05/1066716205.db2.gz UZNIVRKMRQIDDK-BGYRXZFFSA-N 1 0 450.583 4.053 20 0 JIADRO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842754 1066725033 /nfs/dbraw/zinc/72/50/33/1066725033.db2.gz LKOWEOSJNPNTFX-OYRHEFFESA-N 1 0 454.590 4.488 20 0 JIADRO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)c2)n1 ZINC001317843639 1066726757 /nfs/dbraw/zinc/72/67/57/1066726757.db2.gz CNTIMYNPIBTRQL-QHCPKHFHSA-N 1 0 477.565 4.016 20 0 JIADRO Cc1cnn([C@H]2CCCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)c1 ZINC001492545245 1066733068 /nfs/dbraw/zinc/73/30/68/1066733068.db2.gz IZZFNGALQPLXAV-QFIPXVFZSA-N 1 0 465.646 4.100 20 0 JIADRO COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cn1 ZINC001317878489 1066750118 /nfs/dbraw/zinc/75/01/18/1066750118.db2.gz XDCVKVOHHHDYAZ-UHFFFAOYSA-N 1 0 491.592 4.273 20 0 JIADRO COc1ccc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1Br ZINC001317883530 1066752805 /nfs/dbraw/zinc/75/28/05/1066752805.db2.gz OHDFXXCHWRYQRN-INIZCTEOSA-N 1 0 461.404 4.401 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1N1CCCC1=O ZINC001317885797 1066754613 /nfs/dbraw/zinc/75/46/13/1066754613.db2.gz RZMUFIJIDCNVDX-UHFFFAOYSA-N 1 0 468.601 4.384 20 0 JIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317890000 1066759349 /nfs/dbraw/zinc/75/93/49/1066759349.db2.gz XHAJYFOVODOEEX-SFHVURJKSA-N 1 0 476.543 4.309 20 0 JIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001317900198 1066770911 /nfs/dbraw/zinc/77/09/11/1066770911.db2.gz PYYAGDDTQYNEBN-UHFFFAOYSA-N 1 0 458.360 4.003 20 0 JIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001317915145 1066783495 /nfs/dbraw/zinc/78/34/95/1066783495.db2.gz XTNJXCZFTIUMRY-UHFFFAOYSA-N 1 0 471.374 4.430 20 0 JIADRO Cc1cc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)ccc1N1CC[NH+](C)CC1 ZINC001317931865 1066793604 /nfs/dbraw/zinc/79/36/04/1066793604.db2.gz HDQRWSPKSRUUJQ-UHFFFAOYSA-N 1 0 464.589 4.373 20 0 JIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001317938898 1066797690 /nfs/dbraw/zinc/79/76/90/1066797690.db2.gz UJPYPOHKMLGMCY-LJQANCHMSA-N 1 0 458.562 4.344 20 0 JIADRO Cc1cc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001349215560 1066820795 /nfs/dbraw/zinc/82/07/95/1066820795.db2.gz AQMXGMRTBNLZIQ-UHFFFAOYSA-N 1 0 459.590 4.386 20 0 JIADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC001349230722 1066822488 /nfs/dbraw/zinc/82/24/88/1066822488.db2.gz XBICOBCCBZSYLZ-KVDXNUTJSA-N 1 0 451.592 4.462 20 0 JIADRO COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CC[NH+](C(C)(C)C)CC3)[C@@H]2c2ccccc2OC)cc1 ZINC001317980056 1066829661 /nfs/dbraw/zinc/82/96/61/1066829661.db2.gz BZRSUOMFBABGGM-BVAGGSTKSA-N 1 0 479.621 4.131 20 0 JIADRO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001349593839 1066858884 /nfs/dbraw/zinc/85/88/84/1066858884.db2.gz WIOGHAUZNJNONK-ZRBLBEILSA-N 1 0 459.631 4.374 20 0 JIADRO COc1cccc(N2CCC(NC(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)c1 ZINC001318045591 1066869034 /nfs/dbraw/zinc/86/90/34/1066869034.db2.gz WGRBOJNWUSKCCE-XMMPIXPASA-N 1 0 457.018 4.454 20 0 JIADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 ZINC001318059335 1066876493 /nfs/dbraw/zinc/87/64/93/1066876493.db2.gz UVIVUKUAUBKBIO-GOSISDBHSA-N 1 0 458.400 4.092 20 0 JIADRO O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC001318065482 1066881575 /nfs/dbraw/zinc/88/15/75/1066881575.db2.gz HDUZJIUWQYUYLS-KQWNVCNZSA-N 1 0 478.593 4.046 20 0 JIADRO O=C(CSc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC001318102894 1066900512 /nfs/dbraw/zinc/90/05/12/1066900512.db2.gz OUEOSEWLAVIVMV-CSCIYHFESA-N 1 0 467.679 4.174 20 0 JIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)ccc3I)CC2)cc1 ZINC001318110797 1066904668 /nfs/dbraw/zinc/90/46/68/1066904668.db2.gz OYEIOVHEICQLIU-UHFFFAOYSA-N 1 0 452.311 4.087 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2nc(Br)c3ccccn32)[NH+]2CCCCC2)cc1 ZINC001350102912 1066918079 /nfs/dbraw/zinc/91/80/79/1066918079.db2.gz OMZSTFDUIWXOJW-IBGZPJMESA-N 1 0 457.372 4.062 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)c(C)c2)CC1 ZINC001350124680 1066921067 /nfs/dbraw/zinc/92/10/67/1066921067.db2.gz ZCNOICZQEJCPAL-IRLDBZIGSA-N 1 0 473.415 4.011 20 0 JIADRO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cc2)cc1 ZINC001318144001 1066923052 /nfs/dbraw/zinc/92/30/52/1066923052.db2.gz QGKRWHQEWUYFSH-UHFFFAOYSA-N 1 0 478.618 4.108 20 0 JIADRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001318147168 1066924686 /nfs/dbraw/zinc/92/46/86/1066924686.db2.gz JOFCAJVNRZLWFW-JOCHJYFZSA-N 1 0 466.626 4.423 20 0 JIADRO O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)NCCc1ccccc1 ZINC001350162767 1066926113 /nfs/dbraw/zinc/92/61/13/1066926113.db2.gz JAXKNLOZELZYKZ-IZZNHLLZSA-N 1 0 476.020 4.031 20 0 JIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cc2)CC1 ZINC001350190389 1066928963 /nfs/dbraw/zinc/92/89/63/1066928963.db2.gz DBUNGIGCMKLPSA-UHFFFAOYSA-N 1 0 457.018 4.397 20 0 JIADRO COc1cccc(N2CCC(NC(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001318170859 1066937294 /nfs/dbraw/zinc/93/72/94/1066937294.db2.gz SKODSDQLLWSEOS-DEOSSOPVSA-N 1 0 461.528 4.235 20 0 JIADRO COC(=O)c1ccccc1CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001350303114 1066942485 /nfs/dbraw/zinc/94/24/85/1066942485.db2.gz BQPDPDXZJKOJOP-UHFFFAOYSA-N 1 0 457.574 4.285 20 0 JIADRO CC(C)[C@@H](CNC(=O)c1cc(I)c(F)cc1F)[NH+]1CCC(C)CC1 ZINC001350328946 1066944125 /nfs/dbraw/zinc/94/41/25/1066944125.db2.gz YXLFTSATBWSLGZ-QGZVFWFLSA-N 1 0 450.311 4.056 20 0 JIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1OC ZINC001318195336 1066952048 /nfs/dbraw/zinc/95/20/48/1066952048.db2.gz SWVKRQMOEAJNMN-AREMUKBSSA-N 1 0 494.636 4.073 20 0 JIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198307 1066953327 /nfs/dbraw/zinc/95/33/27/1066953327.db2.gz CHXLUXNPCCCSLU-CVDCTZTESA-N 1 0 452.599 4.346 20 0 JIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318204103 1066956911 /nfs/dbraw/zinc/95/69/11/1066956911.db2.gz YJVPJQQSZGEYRQ-NFBKMPQASA-N 1 0 455.002 4.081 20 0 JIADRO Cc1cc(NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n(-c2ccc(C)cc2)n1 ZINC001318225541 1066969961 /nfs/dbraw/zinc/96/99/61/1066969961.db2.gz FEJUWCWPFHTEQN-UHFFFAOYSA-N 1 0 477.609 4.300 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)c2)CC1 ZINC001318226250 1066970674 /nfs/dbraw/zinc/97/06/74/1066970674.db2.gz MSQIBGWWEZATEI-UHFFFAOYSA-N 1 0 498.071 4.472 20 0 JIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)c1C ZINC001318248115 1066982500 /nfs/dbraw/zinc/98/25/00/1066982500.db2.gz DMNHCXPTNLYCEO-UHFFFAOYSA-N 1 0 479.625 4.271 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(NC(=O)c4cccs4)c3)c2)CC1 ZINC001318251025 1066984105 /nfs/dbraw/zinc/98/41/05/1066984105.db2.gz OCOQGIRBGRLYTM-UHFFFAOYSA-N 1 0 463.607 4.070 20 0 JIADRO COc1ccc(Br)cc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001318257862 1066987121 /nfs/dbraw/zinc/98/71/21/1066987121.db2.gz JWKGUYLUGMXWBF-AWEZNQCLSA-N 1 0 465.367 4.231 20 0 JIADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C[C@@H]3CCCO3)C(F)(F)F)c(C(F)(F)F)c2)CC1 ZINC001350690600 1066989588 /nfs/dbraw/zinc/98/95/88/1066989588.db2.gz GXHRQIMULMKMAV-GOEBONIOSA-N 1 0 453.427 4.143 20 0 JIADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC001318266572 1066991978 /nfs/dbraw/zinc/99/19/78/1066991978.db2.gz XTZNLRUFZNEICH-UHFFFAOYSA-N 1 0 451.574 4.221 20 0 JIADRO CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C(=O)OCC)c1C ZINC001350730201 1066994275 /nfs/dbraw/zinc/99/42/75/1066994275.db2.gz WGQCUTQARGRNFX-GOSISDBHSA-N 1 0 458.580 4.261 20 0 JIADRO COc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001318283602 1067001343 /nfs/dbraw/zinc/00/13/43/1067001343.db2.gz OEDSCAIYFDEMJB-AREMUKBSSA-N 1 0 450.627 4.270 20 0 JIADRO S=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001200739023 1067016968 /nfs/dbraw/zinc/01/69/68/1067016968.db2.gz NLLXLFTZNONNGN-RPWUZVMVSA-N 1 0 459.615 4.438 20 0 JIADRO CC[NH+](CC)C1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)CC1 ZINC001318325400 1067018009 /nfs/dbraw/zinc/01/80/09/1067018009.db2.gz ASPDJZWLWTWTBH-UHFFFAOYSA-N 1 0 477.609 4.397 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[NH+]1CCCCC1 ZINC001300683700 1067021121 /nfs/dbraw/zinc/02/11/21/1067021121.db2.gz MYDTWCZFENGTKL-LJQANCHMSA-N 1 0 459.660 4.069 20 0 JIADRO C[C@@]1(c2cccc(C[NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)c2)NC(=O)NC1=O ZINC001318346264 1067026488 /nfs/dbraw/zinc/02/64/88/1067026488.db2.gz FAVUDJJLJYKCAG-VWLOTQADSA-N 1 0 494.389 4.373 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300685741 1067026707 /nfs/dbraw/zinc/02/67/07/1067026707.db2.gz BCTFBWGXADUISY-KZNAEPCWSA-N 1 0 461.701 4.392 20 0 JIADRO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001300685796 1067026958 /nfs/dbraw/zinc/02/69/58/1067026958.db2.gz BZQBBNXVJXOSSX-RBUKOAKNSA-N 1 0 461.701 4.395 20 0 JIADRO COc1cc(C[NH2+]CCc2coc(-c3ccccc3)n2)cc(I)c1OC ZINC001318371722 1067032846 /nfs/dbraw/zinc/03/28/46/1067032846.db2.gz LAYLARNVODFGDT-UHFFFAOYSA-N 1 0 464.303 4.296 20 0 JIADRO CC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CC1 ZINC001318393010 1067037274 /nfs/dbraw/zinc/03/72/74/1067037274.db2.gz AJUAIMPCMZUNIF-UHFFFAOYSA-N 1 0 465.854 4.433 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001492548568 1067039374 /nfs/dbraw/zinc/03/93/74/1067039374.db2.gz FCWAAGBHEKGNMJ-UHFFFAOYSA-N 1 0 485.673 4.060 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1nc(CC)ncc1Cl)C(C)(C)[NH2+]C(C)(C)C2 ZINC001351067433 1067039862 /nfs/dbraw/zinc/03/98/62/1067039862.db2.gz IJSRXOLVMLVDBF-UHFFFAOYSA-N 1 0 450.992 4.342 20 0 JIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001318419139 1067040981 /nfs/dbraw/zinc/04/09/81/1067040981.db2.gz HKHNIQVXVNHVKG-UHFFFAOYSA-N 1 0 450.892 4.432 20 0 JIADRO COc1ccc(C(NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC001318508176 1067049535 /nfs/dbraw/zinc/04/95/35/1067049535.db2.gz ABOHWBOHQULTGB-UHFFFAOYSA-N 1 0 474.605 4.044 20 0 JIADRO COc1ccncc1Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001300696695 1067054405 /nfs/dbraw/zinc/05/44/05/1067054405.db2.gz GQTCDCRPBJFPMT-GOSISDBHSA-N 1 0 470.618 4.081 20 0 JIADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@H](COc3ccccc3)c3ccccc3)c2)CC1 ZINC001318598378 1067055083 /nfs/dbraw/zinc/05/50/83/1067055083.db2.gz LQOMNCJHROMQMU-HHHXNRCGSA-N 1 0 458.606 4.054 20 0 JIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC001318598527 1067055889 /nfs/dbraw/zinc/05/58/89/1067055889.db2.gz MJTBOPPXNCPFBN-SFHVURJKSA-N 1 0 462.516 4.489 20 0 JIADRO CCS(=O)(=O)c1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC001318694679 1067058467 /nfs/dbraw/zinc/05/84/67/1067058467.db2.gz XOCIFCSIYOLSJX-UHFFFAOYSA-N 1 0 450.004 4.167 20 0 JIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](CC(=O)OC)c2ccc(C)cc2)CC1 ZINC001318770432 1067059457 /nfs/dbraw/zinc/05/94/57/1067059457.db2.gz BLVKTUORKCTBDZ-HXUWFJFHSA-N 1 0 458.990 4.216 20 0 JIADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)c1ccc2nnc(Br)n2n1 ZINC001472828158 1067072928 /nfs/dbraw/zinc/07/29/28/1067072928.db2.gz BOCNXHCGMGGMNB-UHFFFAOYSA-N 1 0 451.800 4.279 20 0 JIADRO COc1ncccc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300714231 1067089869 /nfs/dbraw/zinc/08/98/69/1067089869.db2.gz VIUXZIWMEPHRSP-UHFFFAOYSA-N 1 0 487.073 4.454 20 0 JIADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC001351425405 1067093482 /nfs/dbraw/zinc/09/34/82/1067093482.db2.gz OWOCHOBXLNGUQQ-IBGZPJMESA-N 1 0 454.924 4.486 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)COC1CC[NH+](C)CC1 ZINC001351599262 1067139313 /nfs/dbraw/zinc/13/93/13/1067139313.db2.gz BPKPRIJTXYLSOH-UHFFFAOYSA-N 1 0 450.457 4.282 20 0 JIADRO CO[C@H](C[N@@H+]1CCC[C@@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001474758261 1067141217 /nfs/dbraw/zinc/14/12/17/1067141217.db2.gz DJBGIYOJUALVSO-TZIWHRDSSA-N 1 0 454.652 4.482 20 0 JIADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001351730328 1067180746 /nfs/dbraw/zinc/18/07/46/1067180746.db2.gz LZIYVXVWRNXHLD-UHFFFAOYSA-N 1 0 454.372 4.327 20 0 JIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC001321654954 1067191594 /nfs/dbraw/zinc/19/15/94/1067191594.db2.gz WIIGRDYTHAGHJR-GDLZYMKVSA-N 1 0 479.584 4.251 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001351780129 1067203916 /nfs/dbraw/zinc/20/39/16/1067203916.db2.gz JLOAZIPDDASDFA-LERMDLETSA-N 1 0 479.518 4.327 20 0 JIADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC001351790127 1067208543 /nfs/dbraw/zinc/20/85/43/1067208543.db2.gz XUQBRVPVVXLVDB-UHFFFAOYSA-N 1 0 451.434 4.244 20 0 JIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3nc(-c4ccc(F)cc4)n4c3CCCCC4)c2)CC1 ZINC001321776937 1067209595 /nfs/dbraw/zinc/20/95/95/1067209595.db2.gz SQFCWXJUNLNXQA-UHFFFAOYSA-N 1 0 489.595 4.365 20 0 JIADRO CO[C@H]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300740276 1067217675 /nfs/dbraw/zinc/21/76/75/1067217675.db2.gz VDHAFGJQUDFVHK-PXNSSMCTSA-N 1 0 476.463 4.443 20 0 JIADRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001321846456 1067218297 /nfs/dbraw/zinc/21/82/97/1067218297.db2.gz ZTBLKJOSQXGKCL-SANMLTNESA-N 1 0 492.664 4.365 20 0 JIADRO O=C(CSCC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(Br)c1 ZINC001321932324 1067230062 /nfs/dbraw/zinc/23/00/62/1067230062.db2.gz RUNRVBNNXQZHAH-UHFFFAOYSA-N 1 0 462.413 4.355 20 0 JIADRO CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300744479 1067244702 /nfs/dbraw/zinc/24/47/02/1067244702.db2.gz IISSKIDLXSHCNT-VWNXMTODSA-N 1 0 455.647 4.210 20 0 JIADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492550032 1067253132 /nfs/dbraw/zinc/25/31/32/1067253132.db2.gz WAWJSMNCLXSNAY-SELNLUPBSA-N 1 0 479.641 4.330 20 0 JIADRO Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001492550020 1067253508 /nfs/dbraw/zinc/25/35/08/1067253508.db2.gz VVZKFMFGLTVKSQ-FGZHOGPDSA-N 1 0 457.688 4.475 20 0 JIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21 ZINC001351987374 1067263535 /nfs/dbraw/zinc/26/35/35/1067263535.db2.gz RIAZIVVHACLVNX-UHFFFAOYSA-N 1 0 453.974 4.418 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1Cl ZINC001322293352 1067271223 /nfs/dbraw/zinc/27/12/23/1067271223.db2.gz PUQXYUNKDPLKTQ-REWPJTCUSA-N 1 0 457.018 4.327 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300753418 1067278750 /nfs/dbraw/zinc/27/87/50/1067278750.db2.gz HYFRAXCXNNMUTM-PCCBWWKXSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001300753416 1067278940 /nfs/dbraw/zinc/27/89/40/1067278940.db2.gz HYFRAXCXNNMUTM-NJDAHSKKSA-N 1 0 459.610 4.437 20 0 JIADRO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001300754831 1067281380 /nfs/dbraw/zinc/28/13/80/1067281380.db2.gz NVDATDNEMQJDQL-SXWKCWPCSA-N 1 0 459.610 4.437 20 0 JIADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352081619 1067282534 /nfs/dbraw/zinc/28/25/34/1067282534.db2.gz SVSFKWBFDJQFSB-GJZGRUSLSA-N 1 0 451.792 4.433 20 0 JIADRO CCc1ccc([C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2cccc(F)c2)cc1 ZINC001322393144 1067286296 /nfs/dbraw/zinc/28/62/96/1067286296.db2.gz WQPZEVRKTITVIZ-SANMLTNESA-N 1 0 476.596 4.268 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001300757235 1067286612 /nfs/dbraw/zinc/28/66/12/1067286612.db2.gz FLTSOMLUPOWUSN-FXAWDEMLSA-N 1 0 462.436 4.055 20 0 JIADRO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001300757907 1067289085 /nfs/dbraw/zinc/28/90/85/1067289085.db2.gz OGKLSTKUFWUTJG-AEFFLSMTSA-N 1 0 479.467 4.161 20 0 JIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC001354943749 1067297820 /nfs/dbraw/zinc/29/78/20/1067297820.db2.gz OVESTRPFJHVZKJ-UHFFFAOYSA-N 1 0 452.580 4.280 20 0 JIADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322469925 1067297985 /nfs/dbraw/zinc/29/79/85/1067297985.db2.gz XPVQAMMJMIGWFX-UHFFFAOYSA-N 1 0 471.026 4.366 20 0 JIADRO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC001200823346 1067299786 /nfs/dbraw/zinc/29/97/86/1067299786.db2.gz ZPHVREHTRSIBJK-OXJNMPFZSA-N 1 0 450.630 4.104 20 0 JIADRO CCOc1c(Br)cc(C[NH2+]CCN2C(=O)COc3ccccc32)cc1Br ZINC001322611312 1067305781 /nfs/dbraw/zinc/30/57/81/1067305781.db2.gz QHFYPQZDRXNCMY-UHFFFAOYSA-N 1 0 484.188 4.126 20 0 JIADRO C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001352201420 1067309298 /nfs/dbraw/zinc/30/92/98/1067309298.db2.gz ASTOGYZSHQSULY-INIZCTEOSA-N 1 0 453.949 4.179 20 0 JIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001323634901 1067324749 /nfs/dbraw/zinc/32/47/49/1067324749.db2.gz FSWGOBBOYSJXJK-XMMPIXPASA-N 1 0 495.023 4.195 20 0 JIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001323636433 1067324974 /nfs/dbraw/zinc/32/49/74/1067324974.db2.gz YPJBVSPHKNZZPG-NRFANRHFSA-N 1 0 488.632 4.136 20 0 JIADRO CN(c1ccc(NC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1)C1CC[NH+](C)CC1 ZINC001354995108 1067325761 /nfs/dbraw/zinc/32/57/61/1067325761.db2.gz WFYZVKFUTYCDKQ-ATIYNZHBSA-N 1 0 456.631 4.193 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001300775447 1067328577 /nfs/dbraw/zinc/32/85/77/1067328577.db2.gz WJIAEMBEZQXNAY-OAQYLSRUSA-N 1 0 452.603 4.334 20 0 JIADRO COc1ccc([C@H](CNC(=O)c2cc(Cl)ncc2Br)[NH+]2CCCCC2)cc1 ZINC001352317026 1067330906 /nfs/dbraw/zinc/33/09/06/1067330906.db2.gz IYLWDCSURRXZMB-SFHVURJKSA-N 1 0 452.780 4.463 20 0 JIADRO CO[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001300777653 1067331989 /nfs/dbraw/zinc/33/19/89/1067331989.db2.gz ZGZAJZJVYIYVCZ-PGRDOPGGSA-N 1 0 468.671 4.378 20 0 JIADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001492496832 1067334781 /nfs/dbraw/zinc/33/47/81/1067334781.db2.gz FTWNZVUFSGOLCS-HXUWFJFHSA-N 1 0 497.688 4.216 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001300000396 1067336072 /nfs/dbraw/zinc/33/60/72/1067336072.db2.gz CFWJODBSLFCWSK-LSDHHAIUSA-N 1 0 493.475 4.363 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001300782058 1067337912 /nfs/dbraw/zinc/33/79/12/1067337912.db2.gz GWPYQSPOIDHHGH-UHFFFAOYSA-N 1 0 484.595 4.453 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001300001161 1067338580 /nfs/dbraw/zinc/33/85/80/1067338580.db2.gz RRFQZAZRVOMKPD-GAJHUEQPSA-N 1 0 472.684 4.087 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492552830 1067338914 /nfs/dbraw/zinc/33/89/14/1067338914.db2.gz FGDWBJDBOFJROJ-GSPCLOLRSA-N 1 0 455.647 4.177 20 0 JIADRO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300001301 1067338986 /nfs/dbraw/zinc/33/89/86/1067338986.db2.gz VVOUZFQUFPOEDN-SIKLNZKXSA-N 1 0 484.670 4.007 20 0 JIADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492497679 1067339196 /nfs/dbraw/zinc/33/91/96/1067339196.db2.gz FCFFQPYFFTYNSI-QHCPKHFHSA-N 1 0 497.594 4.122 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+]1CC=CCC1 ZINC001492552916 1067339694 /nfs/dbraw/zinc/33/96/94/1067339694.db2.gz FNTWRFKSGDVMMI-ATIYNZHBSA-N 1 0 453.631 4.086 20 0 JIADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492552956 1067340702 /nfs/dbraw/zinc/34/07/02/1067340702.db2.gz FUUMHOIUZALVDO-GGAORHGYSA-N 1 0 452.647 4.247 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300002351 1067342879 /nfs/dbraw/zinc/34/28/79/1067342879.db2.gz JIVUYZBOMQUTSS-OALUTQOASA-N 1 0 497.640 4.388 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300002744 1067343937 /nfs/dbraw/zinc/34/39/37/1067343937.db2.gz TZXCOZOFLHNQMW-UHFFFAOYSA-N 1 0 453.587 4.314 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001300784689 1067344469 /nfs/dbraw/zinc/34/44/69/1067344469.db2.gz DHWRIVRIPMBDPT-QFIPXVFZSA-N 1 0 475.703 4.071 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001300784865 1067344812 /nfs/dbraw/zinc/34/48/12/1067344812.db2.gz GMPUOPASHDQKEQ-UHFFFAOYSA-N 1 0 475.703 4.073 20 0 JIADRO CO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001300785164 1067345650 /nfs/dbraw/zinc/34/56/50/1067345650.db2.gz CFAFYEBNVZLWJV-HSZRJFAPSA-N 1 0 499.700 4.403 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001300785232 1067346062 /nfs/dbraw/zinc/34/60/62/1067346062.db2.gz JJCBEMFHZRYPAL-TYFQNXAESA-N 1 0 487.714 4.055 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300003166 1067346596 /nfs/dbraw/zinc/34/65/96/1067346596.db2.gz FNUBUBCQABMTEK-LJQANCHMSA-N 1 0 453.587 4.312 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001300003741 1067348379 /nfs/dbraw/zinc/34/83/79/1067348379.db2.gz RPNQUBSRKRWIGT-UHFFFAOYSA-N 1 0 491.562 4.074 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001300786629 1067349258 /nfs/dbraw/zinc/34/92/58/1067349258.db2.gz UQQRACDGNFXYNO-NRFANRHFSA-N 1 0 457.638 4.499 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC001300786637 1067349325 /nfs/dbraw/zinc/34/93/25/1067349325.db2.gz UQQRACDGNFXYNO-OAQYLSRUSA-N 1 0 457.638 4.499 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001300786739 1067349927 /nfs/dbraw/zinc/34/99/27/1067349927.db2.gz PFSMCOFYZWZWCO-SANMLTNESA-N 1 0 461.695 4.296 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001300786923 1067350149 /nfs/dbraw/zinc/35/01/49/1067350149.db2.gz SSFOPXVONOJWSR-QFIPXVFZSA-N 1 0 476.669 4.393 20 0 JIADRO CCOC(=O)c1c2c(sc1NC(=O)c1cn(CC(F)F)nc1C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001352357267 1067350577 /nfs/dbraw/zinc/35/05/77/1067350577.db2.gz ZDUVSNKXFTYOOQ-UHFFFAOYSA-N 1 0 454.543 4.107 20 0 JIADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492553767 1067350864 /nfs/dbraw/zinc/35/08/64/1067350864.db2.gz MJXDTQQOWQHBOK-MQFRRQCYSA-N 1 0 487.714 4.054 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001300787744 1067352334 /nfs/dbraw/zinc/35/23/34/1067352334.db2.gz YJWAJWPRWVTMGI-GOSISDBHSA-N 1 0 480.028 4.100 20 0 JIADRO COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2ccoc2)CC1 ZINC001300788086 1067353040 /nfs/dbraw/zinc/35/30/40/1067353040.db2.gz ZFWIZTIBTTUCFJ-UHFFFAOYSA-N 1 0 451.615 4.182 20 0 JIADRO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300006788 1067355894 /nfs/dbraw/zinc/35/58/94/1067355894.db2.gz QNLABCNGTAMMKQ-SFHVURJKSA-N 1 0 470.643 4.176 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cc1 ZINC001355053401 1067363274 /nfs/dbraw/zinc/36/32/74/1067363274.db2.gz AYXUGBNGHYXWNV-INIZCTEOSA-N 1 0 451.489 4.183 20 0 JIADRO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001300792762 1067363557 /nfs/dbraw/zinc/36/35/57/1067363557.db2.gz ZPJYXAVHIWUDKY-BGWNEDDSSA-N 1 0 482.673 4.273 20 0 JIADRO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC001300793112 1067364695 /nfs/dbraw/zinc/36/46/95/1067364695.db2.gz DFPSFUSXSIOMJS-HNAYVOBHSA-N 1 0 480.426 4.192 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001300012449 1067367041 /nfs/dbraw/zinc/36/70/41/1067367041.db2.gz YCGHDQRUKOBEBN-INIZCTEOSA-N 1 0 490.368 4.445 20 0 JIADRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1NC(=S)Nc1ccccc1Cl ZINC001200858099 1067367450 /nfs/dbraw/zinc/36/74/50/1067367450.db2.gz ILORZVAQWMRFFS-UHFFFAOYSA-N 1 0 474.074 4.374 20 0 JIADRO COc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC001300012849 1067368304 /nfs/dbraw/zinc/36/83/04/1067368304.db2.gz HTAFZTDLECRJRN-HXUWFJFHSA-N 1 0 471.646 4.231 20 0 JIADRO CCOC(=O)c1sc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)nc1C ZINC001355123349 1067376668 /nfs/dbraw/zinc/37/66/68/1067376668.db2.gz HRQUOQLSEABULH-AJTFRIOCSA-N 1 0 477.630 4.334 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492581005 1067378957 /nfs/dbraw/zinc/37/89/57/1067378957.db2.gz TYZFPNLELOJZTM-FIXSFTCYSA-N 1 0 496.700 4.401 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001300022079 1067387309 /nfs/dbraw/zinc/38/73/09/1067387309.db2.gz QDBULDJWUJWDGX-NRFANRHFSA-N 1 0 498.716 4.108 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCCC[NH+]2CCCCC2)c(OC)c1 ZINC001300023253 1067391734 /nfs/dbraw/zinc/39/17/34/1067391734.db2.gz DQAFMAYYNHHOMH-NHCUHLMSSA-N 1 0 471.646 4.232 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2csc(N(C)c3ccccc3)n2)c1 ZINC001355235995 1067393699 /nfs/dbraw/zinc/39/36/99/1067393699.db2.gz UPMXCZGGYJRSTG-UHFFFAOYSA-N 1 0 451.596 4.235 20 0 JIADRO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300024873 1067394778 /nfs/dbraw/zinc/39/47/78/1067394778.db2.gz PGMVTPMIKAWUMZ-SIKLNZKXSA-N 1 0 455.647 4.325 20 0 JIADRO C[C@H](CCNC(=O)c1cc(Br)nc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC001355308927 1067412617 /nfs/dbraw/zinc/41/26/17/1067412617.db2.gz CBWITZRKTMVXBL-CYBMUJFWSA-N 1 0 455.194 4.247 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300029851 1067415870 /nfs/dbraw/zinc/41/58/70/1067415870.db2.gz XIENVOTZDHPTSM-UHFFFAOYSA-N 1 0 479.547 4.178 20 0 JIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001352473524 1067424794 /nfs/dbraw/zinc/42/47/94/1067424794.db2.gz FFBVIJQBYPTSMZ-GOSISDBHSA-N 1 0 454.537 4.104 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300032857 1067428632 /nfs/dbraw/zinc/42/86/32/1067428632.db2.gz GHYLEVXVEJYPSN-HOYKHHGWSA-N 1 0 495.590 4.215 20 0 JIADRO COc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300038028 1067450319 /nfs/dbraw/zinc/45/03/19/1067450319.db2.gz JOOZNGUUZFHVQA-GOTSBHOMSA-N 1 0 455.647 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)c(OC)c1 ZINC001300038908 1067452537 /nfs/dbraw/zinc/45/25/37/1067452537.db2.gz SVYDOPZOUYIRRV-HNNXBMFYSA-N 1 0 455.525 4.081 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001300041545 1067471825 /nfs/dbraw/zinc/47/18/25/1067471825.db2.gz IJAFQMVJAYOCMF-UHFFFAOYSA-N 1 0 482.673 4.055 20 0 JIADRO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001300041543 1067472216 /nfs/dbraw/zinc/47/22/16/1067472216.db2.gz IGUFFKVMNLTCOQ-HNNXBMFYSA-N 1 0 484.389 4.436 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300045382 1067492568 /nfs/dbraw/zinc/49/25/68/1067492568.db2.gz DONSVIKBERNDRA-BJKOFHAPSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001300045385 1067492594 /nfs/dbraw/zinc/49/25/94/1067492594.db2.gz DONSVIKBERNDRA-ZEQRLZLVSA-N 1 0 455.647 4.325 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CC[N@H+](C)C(C)C)cc1Br ZINC001300047765 1067501551 /nfs/dbraw/zinc/50/15/51/1067501551.db2.gz JXWWJYJMIZPKSU-LPHOPBHVSA-N 1 0 462.436 4.435 20 0 JIADRO O=C(CCCOc1cccc(Br)c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001355568991 1067512410 /nfs/dbraw/zinc/51/24/10/1067512410.db2.gz XYSIQDIXWVMORW-UHFFFAOYSA-N 1 0 453.421 4.007 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC001300052406 1067522411 /nfs/dbraw/zinc/52/24/11/1067522411.db2.gz XAIIWRPZBZNZMB-WNCULLNHSA-N 1 0 485.673 4.478 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492582486 1067527020 /nfs/dbraw/zinc/52/70/20/1067527020.db2.gz JKVWATVHOPHCIE-QHCPKHFHSA-N 1 0 480.701 4.183 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H](n4cc(C)cn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300054926 1067534016 /nfs/dbraw/zinc/53/40/16/1067534016.db2.gz AAOWCQVNJBVCAN-GOTSBHOMSA-N 1 0 495.672 4.285 20 0 JIADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCc2nncn2CC1)[NH+](C)C ZINC001355670395 1067547930 /nfs/dbraw/zinc/54/79/30/1067547930.db2.gz SVZWVSFCYVTEKV-FXAWDEMLSA-N 1 0 452.430 4.152 20 0 JIADRO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001300060340 1067558188 /nfs/dbraw/zinc/55/81/88/1067558188.db2.gz WLCTYJIVYXULLZ-XLIONFOSSA-N 1 0 459.660 4.167 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCCSC)c(OC)c1 ZINC001300061388 1067563867 /nfs/dbraw/zinc/56/38/67/1067563867.db2.gz FUZONNCJFQIKCE-UHFFFAOYSA-N 1 0 461.676 4.416 20 0 JIADRO COc1ccc(CCNC(=S)Nc2cc(F)ccc2OCC2CC[NH+](C)CC2)cc1OC ZINC001200081431 1067564213 /nfs/dbraw/zinc/56/42/13/1067564213.db2.gz JNTVZZPOALIXOF-UHFFFAOYSA-N 1 0 461.603 4.093 20 0 JIADRO COc1ccc(-c2nnc(N3CCC[C@H]3Cc3cccs3)n2C[C@@H](C)[NH+](C)C)c(OC)c1 ZINC001300065806 1067579072 /nfs/dbraw/zinc/57/90/72/1067579072.db2.gz VEUAFDGMNCHEAG-MSOLQXFVSA-N 1 0 455.628 4.185 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300066111 1067579524 /nfs/dbraw/zinc/57/95/24/1067579524.db2.gz YCWALFQBQQTIOY-OAQYLSRUSA-N 1 0 496.681 4.013 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1 ZINC001352615358 1067581649 /nfs/dbraw/zinc/58/16/49/1067581649.db2.gz DACUSAXCGHNEBE-RDPSFJRHSA-N 1 0 457.640 4.063 20 0 JIADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1OC ZINC001300067082 1067582584 /nfs/dbraw/zinc/58/25/84/1067582584.db2.gz KMBRGTLZFAAZRT-QPPBQGQZSA-N 1 0 485.673 4.334 20 0 JIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(C(F)(F)F)ncn1 ZINC001355800369 1067583484 /nfs/dbraw/zinc/58/34/84/1067583484.db2.gz MHMGRLUUIASOAM-UHFFFAOYSA-N 1 0 455.484 4.066 20 0 JIADRO COc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300076230 1067603029 /nfs/dbraw/zinc/60/30/29/1067603029.db2.gz SJVXGZWYLAXXLR-NHCUHLMSSA-N 1 0 490.643 4.099 20 0 JIADRO COc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001300076532 1067603908 /nfs/dbraw/zinc/60/39/08/1067603908.db2.gz HJCPKJNJJNAURQ-GOTSBHOMSA-N 1 0 485.673 4.334 20 0 JIADRO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300079884 1067616065 /nfs/dbraw/zinc/61/60/65/1067616065.db2.gz SDYSSBPTAQEFOV-LJQANCHMSA-N 1 0 471.646 4.088 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC001300085251 1067626635 /nfs/dbraw/zinc/62/66/35/1067626635.db2.gz QAXHPIPIVVXGMD-WMZHIEFXSA-N 1 0 473.687 4.272 20 0 JIADRO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300087599 1067633546 /nfs/dbraw/zinc/63/35/46/1067633546.db2.gz HYXGBUGFHDQTSY-IBGZPJMESA-N 1 0 459.660 4.026 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001356024347 1067637436 /nfs/dbraw/zinc/63/74/36/1067637436.db2.gz KLQMAMKBCRUDHK-DOQQYFFYSA-N 1 0 477.649 4.101 20 0 JIADRO COc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001300090006 1067643981 /nfs/dbraw/zinc/64/39/81/1067643981.db2.gz WEEZNQSNMCRUIQ-LJQANCHMSA-N 1 0 492.462 4.206 20 0 JIADRO CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC001356068654 1067650240 /nfs/dbraw/zinc/65/02/40/1067650240.db2.gz SLJDKGGXCUBNED-UHFFFAOYSA-N 1 0 453.974 4.156 20 0 JIADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001356076579 1067651632 /nfs/dbraw/zinc/65/16/32/1067651632.db2.gz IQQMTDPIOSZOCK-AOYPEHQESA-N 1 0 453.671 4.468 20 0 JIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720847 1067652132 /nfs/dbraw/zinc/65/21/32/1067652132.db2.gz YTJGGXZJYQXIAA-VQTJNVASSA-N 1 0 469.548 4.433 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001300099231 1067670397 /nfs/dbraw/zinc/67/03/97/1067670397.db2.gz DIMFKNZEBBSHTF-IRXDYDNUSA-N 1 0 489.462 4.309 20 0 JIADRO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)C2)cc1 ZINC001300099610 1067672042 /nfs/dbraw/zinc/67/20/42/1067672042.db2.gz ISEGAYQBXZYUBV-DEOSSOPVSA-N 1 0 482.717 4.143 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccn3C)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001300099839 1067673132 /nfs/dbraw/zinc/67/31/32/1067673132.db2.gz MVOCYFSTXZFXJU-NRFANRHFSA-N 1 0 496.725 4.435 20 0 JIADRO COc1ccc(C[C@H](C)CN(C)c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)cc1 ZINC001300106554 1067693872 /nfs/dbraw/zinc/69/38/72/1067693872.db2.gz ULLULABLANKYAD-FQEVSTJZSA-N 1 0 459.704 4.239 20 0 JIADRO COc1ccc(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001300106684 1067694703 /nfs/dbraw/zinc/69/47/03/1067694703.db2.gz DTHDBKXJMARZBZ-HXUWFJFHSA-N 1 0 453.656 4.348 20 0 JIADRO Cn1c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)ccc1-c1ccc(Br)cc1 ZINC001356228353 1067699397 /nfs/dbraw/zinc/69/93/97/1067699397.db2.gz KBDPJGGGLUZQSW-SFHVURJKSA-N 1 0 454.368 4.424 20 0 JIADRO O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001356242026 1067705327 /nfs/dbraw/zinc/70/53/27/1067705327.db2.gz WSYRCVPWUGQHTD-UHFFFAOYSA-N 1 0 454.372 4.327 20 0 JIADRO CSc1cccc(N2C[C@H](C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)CC2=O)c1 ZINC001356254177 1067707926 /nfs/dbraw/zinc/70/79/26/1067707926.db2.gz LMOYTJNKGNFNRA-SIKLNZKXSA-N 1 0 451.636 4.452 20 0 JIADRO COc1ccc(CCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001300112907 1067716598 /nfs/dbraw/zinc/71/65/98/1067716598.db2.gz FZYXAUUMQAKKSB-YADHBBJMSA-N 1 0 469.674 4.198 20 0 JIADRO C[C@@H]1CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356354772 1067734167 /nfs/dbraw/zinc/73/41/67/1067734167.db2.gz KWDNOFBZJWFJIR-DPLHUUCSSA-N 1 0 451.611 4.416 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[C@@]4(C3)CCCOC4)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300119524 1067734264 /nfs/dbraw/zinc/73/42/64/1067734264.db2.gz HEMMZBABVUKZCV-YIXXDRMTSA-N 1 0 469.674 4.055 20 0 JIADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001356357246 1067734871 /nfs/dbraw/zinc/73/48/71/1067734871.db2.gz VGQIFFSUNJXXBG-ROUUACIJSA-N 1 0 453.384 4.370 20 0 JIADRO COc1ccc(CCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001300123335 1067743883 /nfs/dbraw/zinc/74/38/83/1067743883.db2.gz RRJZURHJQSHJHJ-SIKLNZKXSA-N 1 0 495.590 4.104 20 0 JIADRO C[NH+](C)CCN(C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccccc1 ZINC001356418837 1067747645 /nfs/dbraw/zinc/74/76/45/1067747645.db2.gz CAMZZZOEJPAQIA-FQEVSTJZSA-N 1 0 451.489 4.219 20 0 JIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 ZINC001356451667 1067755090 /nfs/dbraw/zinc/75/50/90/1067755090.db2.gz MYCACRRKRWZVGA-UHFFFAOYSA-N 1 0 459.974 4.065 20 0 JIADRO Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001356470638 1067758715 /nfs/dbraw/zinc/75/87/15/1067758715.db2.gz JKUIJCYEBJBGNP-UHFFFAOYSA-N 1 0 455.624 4.107 20 0 JIADRO COc1ccc(CCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001300127596 1067759095 /nfs/dbraw/zinc/75/90/95/1067759095.db2.gz SZAJYVXZPXCCLM-UPVQGACJSA-N 1 0 483.701 4.445 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2C)cc1 ZINC001352842219 1067760908 /nfs/dbraw/zinc/76/09/08/1067760908.db2.gz JXYUCHRTQAVOTE-UHFFFAOYSA-N 1 0 450.352 4.221 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3ccc(C)o3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001300130612 1067765671 /nfs/dbraw/zinc/76/56/71/1067765671.db2.gz CLRJFKPUEBIWDC-UHFFFAOYSA-N 1 0 481.641 4.159 20 0 JIADRO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC001356503765 1067765841 /nfs/dbraw/zinc/76/58/41/1067765841.db2.gz TULPLUIKNFGVQC-RECSWBGYSA-N 1 0 472.427 4.339 20 0 JIADRO COc1ccc(CCCN(C)c2nnc(-c3cccn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300131571 1067768019 /nfs/dbraw/zinc/76/80/19/1067768019.db2.gz NWOVLTWBFALBQX-XMMPIXPASA-N 1 0 464.658 4.482 20 0 JIADRO COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)NC(=O)OC(C)(C)C ZINC000849058710 1067788998 /nfs/dbraw/zinc/78/89/98/1067788998.db2.gz OWGHDTBFSLANJO-SFHVURJKSA-N 1 0 456.543 4.059 20 0 JIADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001356621400 1067793235 /nfs/dbraw/zinc/79/32/35/1067793235.db2.gz UPCSJGXYJSMXNA-QGZVFWFLSA-N 1 0 455.400 4.235 20 0 JIADRO COc1ccc(CNC(=[NH2+])NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1OC ZINC000849074128 1067797306 /nfs/dbraw/zinc/79/73/06/1067797306.db2.gz IZDWZENAGSCJOD-UHFFFAOYSA-N 1 0 455.562 4.430 20 0 JIADRO COc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)cc1Br ZINC001300143980 1067797630 /nfs/dbraw/zinc/79/76/30/1067797630.db2.gz QKIXKGQWLHKOMU-UHFFFAOYSA-N 1 0 487.446 4.065 20 0 JIADRO CS(=O)(=O)CCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001357149821 1067811083 /nfs/dbraw/zinc/81/10/83/1067811083.db2.gz RTRMVYHCPTZKHT-LOSJGSFVSA-N 1 0 454.636 4.151 20 0 JIADRO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC(F)F ZINC001300159107 1067815391 /nfs/dbraw/zinc/81/53/91/1067815391.db2.gz QCVZDTYAWBBVOQ-HNNXBMFYSA-N 1 0 451.562 4.305 20 0 JIADRO CC(=O)N(CCC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001357189203 1067816394 /nfs/dbraw/zinc/81/63/94/1067816394.db2.gz KQDPRQKMHIXBIH-VWLOTQADSA-N 1 0 459.594 4.016 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(C)CC2)cc1F ZINC001300162415 1067817762 /nfs/dbraw/zinc/81/77/62/1067817762.db2.gz MOHPCRWKWLIQTG-UHFFFAOYSA-N 1 0 452.578 4.246 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCCCC2)cc1F ZINC001300163790 1067820631 /nfs/dbraw/zinc/82/06/31/1067820631.db2.gz BFKKGMDQAGWSCS-UHFFFAOYSA-N 1 0 452.578 4.389 20 0 JIADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245819 1067823566 /nfs/dbraw/zinc/82/35/66/1067823566.db2.gz HGZBKBWIGMFQHE-BWAGFHJFSA-N 1 0 458.647 4.094 20 0 JIADRO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300167050 1067825505 /nfs/dbraw/zinc/82/55/05/1067825505.db2.gz UOUXLSFIYVVWHL-XMMPIXPASA-N 1 0 478.641 4.423 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001492585608 1067829244 /nfs/dbraw/zinc/82/92/44/1067829244.db2.gz KHFALSBOXAUVGH-NRFANRHFSA-N 1 0 492.634 4.372 20 0 JIADRO COc1ccc(CN(C)c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300172048 1067831093 /nfs/dbraw/zinc/83/10/93/1067831093.db2.gz DMWGSOXNWHHYOE-BGYRXZFFSA-N 1 0 473.662 4.018 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300173170 1067832427 /nfs/dbraw/zinc/83/24/27/1067832427.db2.gz PSGDNPQOIBIHGO-JOCHJYFZSA-N 1 0 462.623 4.273 20 0 JIADRO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300176470 1067836583 /nfs/dbraw/zinc/83/65/83/1067836583.db2.gz UQZKOVFTKABGCP-SFTDATJTSA-N 1 0 478.641 4.038 20 0 JIADRO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC001300178914 1067840291 /nfs/dbraw/zinc/84/02/91/1067840291.db2.gz IFWGYLWTYRXUMX-SNOBZRMMSA-N 1 0 471.646 4.294 20 0 JIADRO COc1ccc(Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(OC)n1 ZINC001300184188 1067847336 /nfs/dbraw/zinc/84/73/36/1067847336.db2.gz HDFFTMMFPFDTNE-HXUWFJFHSA-N 1 0 470.662 4.343 20 0 JIADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001357464262 1067853038 /nfs/dbraw/zinc/85/30/38/1067853038.db2.gz LXXUCLKDRYFOLU-OAQYLSRUSA-N 1 0 453.549 4.339 20 0 JIADRO COc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001300193834 1067859715 /nfs/dbraw/zinc/85/97/15/1067859715.db2.gz OWTCVJQDSUUXLP-UHFFFAOYSA-N 1 0 499.457 4.388 20 0 JIADRO Cc1cc(Br)cc(C)c1NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001200226925 1067871292 /nfs/dbraw/zinc/87/12/92/1067871292.db2.gz KXOVHMOSORKPRZ-UHFFFAOYSA-N 1 0 463.445 4.119 20 0 JIADRO O=C(Nc1ccccc1)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001357620808 1067878083 /nfs/dbraw/zinc/87/80/83/1067878083.db2.gz QGLOGZPCQIZAGP-GOSISDBHSA-N 1 0 482.806 4.128 20 0 JIADRO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC001300212625 1067882689 /nfs/dbraw/zinc/88/26/89/1067882689.db2.gz SDTPIIHVSRAEEF-BGYRXZFFSA-N 1 0 487.664 4.388 20 0 JIADRO C[C@H]1CN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCO1 ZINC001200254085 1067892759 /nfs/dbraw/zinc/89/27/59/1067892759.db2.gz GACUIVQJDZSELU-SFHVURJKSA-N 1 0 455.400 4.112 20 0 JIADRO C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@H]1C ZINC001357784297 1067899636 /nfs/dbraw/zinc/89/96/36/1067899636.db2.gz BBWIYJPGDSPBLY-XQBPLPMBSA-N 1 0 453.583 4.218 20 0 JIADRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001200267624 1067906358 /nfs/dbraw/zinc/90/63/58/1067906358.db2.gz PAFYMWVNJZRZEC-ATIYNZHBSA-N 1 0 478.699 4.142 20 0 JIADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC001357858904 1067923418 /nfs/dbraw/zinc/92/34/18/1067923418.db2.gz FLFOJNZNEZSBKT-IZZNHLLZSA-N 1 0 462.615 4.394 20 0 JIADRO COc1ccc(COCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001300235165 1067925427 /nfs/dbraw/zinc/92/54/27/1067925427.db2.gz CBHFFPJHPOYOSM-UHFFFAOYSA-N 1 0 455.647 4.157 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300237135 1067931908 /nfs/dbraw/zinc/93/19/08/1067931908.db2.gz GEMHHILHIQRMFE-MOPGFXCFSA-N 1 0 462.038 4.202 20 0 JIADRO CN1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC001357903955 1067935959 /nfs/dbraw/zinc/93/59/59/1067935959.db2.gz CZLROYWTGVOXDB-VWNXMTODSA-N 1 0 455.002 4.029 20 0 JIADRO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C1CC1)[NH+](C)C ZINC001300238354 1067939943 /nfs/dbraw/zinc/93/99/43/1067939943.db2.gz HESNDDFXSWJQNB-HXUWFJFHSA-N 1 0 475.062 4.272 20 0 JIADRO Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(=O)c1ccncc1 ZINC001357985376 1067970419 /nfs/dbraw/zinc/97/04/19/1067970419.db2.gz OVPUEYDUEVPXBL-UHFFFAOYSA-N 1 0 457.578 4.183 20 0 JIADRO COc1ccc(O[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001300248572 1067986125 /nfs/dbraw/zinc/98/61/25/1067986125.db2.gz CMCJMHMWKPSZHU-IBGZPJMESA-N 1 0 452.603 4.060 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC001358032175 1067994814 /nfs/dbraw/zinc/99/48/14/1067994814.db2.gz PZFJNHDYKHIKCS-UHFFFAOYSA-N 1 0 453.608 4.226 20 0 JIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001358032498 1067995299 /nfs/dbraw/zinc/99/52/99/1067995299.db2.gz YEDQTTIOYYLZKL-AREMUKBSSA-N 1 0 451.636 4.425 20 0 JIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039329 1068000306 /nfs/dbraw/zinc/00/03/06/1068000306.db2.gz LWZDVRUBAQORLA-HBUDHLSFSA-N 1 0 451.876 4.060 20 0 JIADRO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001300253622 1068008971 /nfs/dbraw/zinc/00/89/71/1068008971.db2.gz LFHULSKWIRMYCM-UHFFFAOYSA-N 1 0 465.589 4.446 20 0 JIADRO Cc1nc(-c2ccc(C(=O)Nc3ccc(CC[NH+]4CCC(C(N)=O)CC4)cc3)s2)cs1 ZINC001358072089 1068009288 /nfs/dbraw/zinc/00/92/88/1068009288.db2.gz HBMHSQOPHNJRGU-UHFFFAOYSA-N 1 0 454.621 4.172 20 0 JIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC001358077534 1068011656 /nfs/dbraw/zinc/01/16/56/1068011656.db2.gz MQFQOJRFJVLQPI-INIZCTEOSA-N 1 0 457.981 4.322 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001492562063 1068012318 /nfs/dbraw/zinc/01/23/18/1068012318.db2.gz QCYUOTTVMMNHFR-UZUQRXQVSA-N 1 0 465.564 4.266 20 0 JIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001358078453 1068013065 /nfs/dbraw/zinc/01/30/65/1068013065.db2.gz XZDJRNBLPZLYHB-KAGYGMCKSA-N 1 0 476.637 4.228 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492562510 1068016231 /nfs/dbraw/zinc/01/62/31/1068016231.db2.gz VAUBXUGVOGKBPO-HSZRJFAPSA-N 1 0 468.690 4.313 20 0 JIADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2cc(F)c(F)cc2F)cc1OC ZINC001358086326 1068016652 /nfs/dbraw/zinc/01/66/52/1068016652.db2.gz ZVDRGPORNHSHNR-UHFFFAOYSA-N 1 0 457.880 4.090 20 0 JIADRO COc1cc(Br)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1OC ZINC001358095351 1068018515 /nfs/dbraw/zinc/01/85/15/1068018515.db2.gz MDGOKRPHYOKTPT-UHFFFAOYSA-N 1 0 451.386 4.267 20 0 JIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)C1 ZINC001353323693 1068027248 /nfs/dbraw/zinc/02/72/48/1068027248.db2.gz CJMHXULIMVURNB-QVKFZJNVSA-N 1 0 457.368 4.401 20 0 JIADRO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001300263974 1068031629 /nfs/dbraw/zinc/03/16/29/1068031629.db2.gz CDWLHFJZOIEYFU-DNVJHFABSA-N 1 0 485.673 4.382 20 0 JIADRO COc1ccc(OCc2nnc(N(C)Cc3ccsc3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300263985 1068032236 /nfs/dbraw/zinc/03/22/36/1068032236.db2.gz UCOLUFUTBNIIEF-IBGZPJMESA-N 1 0 455.628 4.296 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC001358182661 1068039631 /nfs/dbraw/zinc/03/96/31/1068039631.db2.gz UDVNRLSSJMTHKO-POZUXBRTSA-N 1 0 454.949 4.366 20 0 JIADRO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001300267381 1068039604 /nfs/dbraw/zinc/03/96/04/1068039604.db2.gz AQNZJFIJIMUQCY-QPPBQGQZSA-N 1 0 485.673 4.095 20 0 JIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001358188112 1068039825 /nfs/dbraw/zinc/03/98/25/1068039825.db2.gz OUOKJFVJKNFFPE-NFBKMPQASA-N 1 0 458.444 4.123 20 0 JIADRO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2CC[NH+]2CCCCCC2)cc1 ZINC001300267959 1068040794 /nfs/dbraw/zinc/04/07/94/1068040794.db2.gz QPYNOOIVFKZALP-UHFFFAOYSA-N 1 0 455.525 4.130 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492563707 1068044047 /nfs/dbraw/zinc/04/40/47/1068044047.db2.gz KCQXDNDOALLHNJ-VXKWHMMOSA-N 1 0 480.701 4.494 20 0 JIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1C ZINC001358260684 1068054076 /nfs/dbraw/zinc/05/40/76/1068054076.db2.gz MLGYVGHWDHEPSC-UHFFFAOYSA-N 1 0 455.562 4.132 20 0 JIADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001353364187 1068062290 /nfs/dbraw/zinc/06/22/90/1068062290.db2.gz ATFSAXNIHUPTOH-UHFFFAOYSA-N 1 0 454.427 4.056 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492564925 1068072944 /nfs/dbraw/zinc/07/29/44/1068072944.db2.gz XPRFJBJFEITLCG-FQEVSTJZSA-N 1 0 468.646 4.231 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300284264 1068080637 /nfs/dbraw/zinc/08/06/37/1068080637.db2.gz UPHRUIYOSAYEGC-WOJBJXKFSA-N 1 0 477.600 4.469 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001300286471 1068085982 /nfs/dbraw/zinc/08/59/82/1068085982.db2.gz WPZDNNHHCCQUOL-LJQANCHMSA-N 1 0 481.563 4.376 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC2(F)CCC2)cc1 ZINC001300289514 1068091283 /nfs/dbraw/zinc/09/12/83/1068091283.db2.gz GRGUCHBGNOZIKY-UHFFFAOYSA-N 1 0 459.610 4.459 20 0 JIADRO COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)SC)cc1 ZINC001300290702 1068095084 /nfs/dbraw/zinc/09/50/84/1068095084.db2.gz LQMNGWTZJKRFKR-UHFFFAOYSA-N 1 0 461.676 4.318 20 0 JIADRO CC[NH+](CC)CCN(C(=O)CC1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC001358456967 1068095775 /nfs/dbraw/zinc/09/57/75/1068095775.db2.gz LVHMUWXSISGCHR-UHFFFAOYSA-N 1 0 453.421 4.447 20 0 JIADRO CCN(C(=O)c1cccc(F)c1I)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358469829 1068098805 /nfs/dbraw/zinc/09/88/05/1068098805.db2.gz CIYZFEDIHOMTGT-MRXNPFEDSA-N 1 0 452.311 4.167 20 0 JIADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC001358488499 1068110567 /nfs/dbraw/zinc/11/05/67/1068110567.db2.gz AVDJWTCJLZRLKF-VWLOTQADSA-N 1 0 450.558 4.355 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300295636 1068114766 /nfs/dbraw/zinc/11/47/66/1068114766.db2.gz FDDZZCUEOZJOEK-FGZHOGPDSA-N 1 0 485.673 4.382 20 0 JIADRO Cc1ccc(NC(=S)N2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 ZINC001200336200 1068116942 /nfs/dbraw/zinc/11/69/42/1068116942.db2.gz OLMQHUBBDBXEHI-INIZCTEOSA-N 1 0 453.052 4.409 20 0 JIADRO COc1ccc(OCc2nnc(N3CCOC4(C3)CCCCCC4)n2CC[N@H+](C)C(C)C)cc1 ZINC001300296809 1068123687 /nfs/dbraw/zinc/12/36/87/1068123687.db2.gz AESCHMRURREDSE-UHFFFAOYSA-N 1 0 471.646 4.136 20 0 JIADRO COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](OC)C(C)(C)C)cc1 ZINC001300297128 1068128402 /nfs/dbraw/zinc/12/84/02/1068128402.db2.gz SCWCMDVHLQOQRY-HSZRJFAPSA-N 1 0 487.689 4.485 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300297816 1068132119 /nfs/dbraw/zinc/13/21/19/1068132119.db2.gz PPUMMFNBNHVLCC-HXUWFJFHSA-N 1 0 473.687 4.462 20 0 JIADRO COc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300297606 1068132381 /nfs/dbraw/zinc/13/23/81/1068132381.db2.gz MZILDKBJGMMRMH-VQTJNVASSA-N 1 0 459.660 4.072 20 0 JIADRO Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C[NH+](C)C)cc3)s2)c(C)c1 ZINC000511331291 1068194411 /nfs/dbraw/zinc/19/44/11/1068194411.db2.gz CVLXHDNOWFGVKQ-UHFFFAOYSA-N 1 0 455.609 4.200 20 0 JIADRO COc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300312860 1068200078 /nfs/dbraw/zinc/20/00/78/1068200078.db2.gz VAPZBLCQTINJMG-DEOSSOPVSA-N 1 0 478.641 4.293 20 0 JIADRO OC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC001473551526 1068244560 /nfs/dbraw/zinc/24/45/60/1068244560.db2.gz QTHJSCHRJWFUKD-PGRDOPGGSA-N 1 0 456.384 4.179 20 0 JIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3(C)C)cs2)cc1 ZINC001473597678 1068263615 /nfs/dbraw/zinc/26/36/15/1068263615.db2.gz MHNUPXILAYYUDQ-RBUKOAKNSA-N 1 0 458.628 4.414 20 0 JIADRO COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001473597813 1068265121 /nfs/dbraw/zinc/26/51/21/1068265121.db2.gz XMDYSQUBAPQCTG-DEOSSOPVSA-N 1 0 450.579 4.066 20 0 JIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000612990156 1068280485 /nfs/dbraw/zinc/28/04/85/1068280485.db2.gz ASHZJSXVRDHIPM-UHFFFAOYSA-N 1 0 461.588 4.232 20 0 JIADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc1 ZINC000613441109 1068286815 /nfs/dbraw/zinc/28/68/15/1068286815.db2.gz NOTYEJAFTZKJEI-SFTDATJTSA-N 1 0 474.671 4.110 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)[NH+]2CCCC2)c1 ZINC001300334400 1068300570 /nfs/dbraw/zinc/30/05/70/1068300570.db2.gz HGWQLBRIIHWZLY-QMMLZNLJSA-N 1 0 481.563 4.403 20 0 JIADRO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)[NH+]2CCCC2)c1 ZINC001300334401 1068300978 /nfs/dbraw/zinc/30/09/78/1068300978.db2.gz HGWQLBRIIHWZLY-YYWHXJBOSA-N 1 0 481.563 4.403 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)[NH+]1CCCC1 ZINC000518164427 1068302838 /nfs/dbraw/zinc/30/28/38/1068302838.db2.gz BKDOCZDKICRPBA-HXUWFJFHSA-N 1 0 451.596 4.405 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)[NH+](C)C)c1 ZINC001300335594 1068307420 /nfs/dbraw/zinc/30/74/20/1068307420.db2.gz UOAUADSQJIBCNM-DNQXCXABSA-N 1 0 478.641 4.436 20 0 JIADRO COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C2CCC(C)CC2)[NH+](C)C)c1 ZINC001300335571 1068307702 /nfs/dbraw/zinc/30/77/02/1068307702.db2.gz UAUHMMHGVWJQJR-PSGUAHCZSA-N 1 0 451.619 4.005 20 0 JIADRO Cc1ccc(Cc2nnc(NC(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)s2)cc1 ZINC000519450127 1068315708 /nfs/dbraw/zinc/31/57/08/1068315708.db2.gz RVOWBQMYCXAQDR-UHFFFAOYSA-N 1 0 464.639 4.161 20 0 JIADRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)[NH+](C)C)c1 ZINC001300338947 1068317810 /nfs/dbraw/zinc/31/78/10/1068317810.db2.gz FNWGOFOPRAMNPS-VWNXMTODSA-N 1 0 455.647 4.041 20 0 JIADRO COc1cccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H](C)C2)[NH+](C)C)c1 ZINC001300339767 1068320175 /nfs/dbraw/zinc/32/01/75/1068320175.db2.gz IVWSRDSVYNSJMZ-KNKQGSTJSA-N 1 0 496.681 4.063 20 0 JIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000520475500 1068324213 /nfs/dbraw/zinc/32/42/13/1068324213.db2.gz WASYQVBPLMJUNA-FQEVSTJZSA-N 1 0 495.546 4.445 20 0 JIADRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[NH+](C)C)c1 ZINC001300341099 1068325960 /nfs/dbraw/zinc/32/59/60/1068325960.db2.gz QHPDAKNDPNVOSN-XUZZJYLKSA-N 1 0 498.716 4.167 20 0 JIADRO COc1ccccc1[C@@H](CNC(=O)Nc1nnc(Cc2ccccc2F)s1)[NH+]1CCCC1 ZINC000520855672 1068328732 /nfs/dbraw/zinc/32/87/32/1068328732.db2.gz XBDSVCRLZKWRGO-LJQANCHMSA-N 1 0 455.559 4.235 20 0 JIADRO COc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001300343597 1068336218 /nfs/dbraw/zinc/33/62/18/1068336218.db2.gz HENLBNAPJIQSPS-SFHVURJKSA-N 1 0 455.628 4.059 20 0 JIADRO COCCN(CC[NH+](C)C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000524662237 1068354565 /nfs/dbraw/zinc/35/45/65/1068354565.db2.gz JXNYDXSKQTVUOD-UHFFFAOYSA-N 1 0 464.444 4.179 20 0 JIADRO Fc1ccc(C[NH2+]CCOc2ccc(I)cc2)cc1Br ZINC001474123636 1068358077 /nfs/dbraw/zinc/35/80/77/1068358077.db2.gz KNYSCVPJSHXEHO-UHFFFAOYSA-N 1 0 450.089 4.361 20 0 JIADRO COc1cccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300351706 1068363721 /nfs/dbraw/zinc/36/37/21/1068363721.db2.gz PNQKRFPPAOZAFK-YADHBBJMSA-N 1 0 455.647 4.329 20 0 JIADRO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001300361603 1068390879 /nfs/dbraw/zinc/39/08/79/1068390879.db2.gz LDYQXTRBBMUNIQ-IFMALSPDSA-N 1 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COc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCOC(C)C)c1 ZINC001300379769 1068465809 /nfs/dbraw/zinc/46/58/09/1068465809.db2.gz VAQDFENICYRJCH-YADHBBJMSA-N 1 0 455.647 4.470 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(F)(F)F)N2C(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200424007 1068489524 /nfs/dbraw/zinc/48/95/24/1068489524.db2.gz VIJGWTYGLFRPAA-KRWDZBQOSA-N 1 0 478.625 4.143 20 0 JIADRO FC(F)(F)c1cc(I)ccc1NC(=S)NCC[NH+]1CCCCC1 ZINC001200430283 1068514070 /nfs/dbraw/zinc/51/40/70/1068514070.db2.gz LTMQEHGSEZNECJ-UHFFFAOYSA-N 1 0 457.303 4.082 20 0 JIADRO Cc1cc(I)c(NC(=S)NCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC001200431240 1068516609 /nfs/dbraw/zinc/51/66/09/1068516609.db2.gz RMCOSVIUXLSRKI-UHFFFAOYSA-N 1 0 471.330 4.391 20 0 JIADRO CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200433063 1068528532 /nfs/dbraw/zinc/52/85/32/1068528532.db2.gz JIICOPIMSKYHKP-UHFFFAOYSA-N 1 0 480.650 4.376 20 0 JIADRO COc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300395760 1068532241 /nfs/dbraw/zinc/53/22/41/1068532241.db2.gz SWLVKMGUGJWREU-ZJSXRUAMSA-N 1 0 485.673 4.094 20 0 JIADRO COc1cccc(C2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001300406486 1068572559 /nfs/dbraw/zinc/57/25/59/1068572559.db2.gz YLYREEVTENOFIP-MUUNZHRXSA-N 1 0 499.700 4.299 20 0 JIADRO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)c1 ZINC001300411843 1068592474 /nfs/dbraw/zinc/59/24/74/1068592474.db2.gz XZLFFGVHSKQMKZ-MZKRTTBSSA-N 1 0 485.673 4.050 20 0 JIADRO COc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c(Cl)c1OC ZINC001200450410 1068598110 /nfs/dbraw/zinc/59/81/10/1068598110.db2.gz MNCULEXWPQIGHW-UHFFFAOYSA-N 1 0 455.780 4.258 20 0 JIADRO COc1cccc(CO[C@@H]2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC001300437340 1068701700 /nfs/dbraw/zinc/70/17/00/1068701700.db2.gz NSEVHZDSENSVNH-PQNGQFLHSA-N 1 0 485.673 4.093 20 0 JIADRO COc1cccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001300437576 1068702776 /nfs/dbraw/zinc/70/27/76/1068702776.db2.gz SFWDHXXQHMHYRG-SZPZYZBQSA-N 1 0 498.672 4.026 20 0 JIADRO COc1cccc(F)c1N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300440829 1068714346 /nfs/dbraw/zinc/71/43/46/1068714346.db2.gz XSOPOBCYUZKRHE-SFTDATJTSA-N 1 0 486.680 4.418 20 0 JIADRO Cc1nc(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(-c2ccccc2)s1 ZINC001353895509 1068729444 /nfs/dbraw/zinc/72/94/44/1068729444.db2.gz XUIAZSIBCPGDLY-UHFFFAOYSA-N 1 0 450.608 4.021 20 0 JIADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC001353907090 1068740159 /nfs/dbraw/zinc/74/01/59/1068740159.db2.gz WFEGGMHYEKAROK-UHRJZISRSA-N 1 0 460.643 4.141 20 0 JIADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001353951371 1068796170 /nfs/dbraw/zinc/79/61/70/1068796170.db2.gz NPKKWAHOUBTGPN-FYYLOGMGSA-N 1 0 469.651 4.231 20 0 JIADRO COc1ccc(S(=O)(=O)Nc2cccc(CNC3CC[NH+](C4CCCCC4)CC3)c2)cc1 ZINC001200515988 1068804724 /nfs/dbraw/zinc/80/47/24/1068804724.db2.gz XJWBDKRDXYWHDI-UHFFFAOYSA-N 1 0 457.640 4.383 20 0 JIADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001353991799 1068821700 /nfs/dbraw/zinc/82/17/00/1068821700.db2.gz DDXGWAMGHNFXKL-RDPSFJRHSA-N 1 0 481.559 4.387 20 0 JIADRO COC(=O)Nc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC001353991755 1068821758 /nfs/dbraw/zinc/82/17/58/1068821758.db2.gz BRKQPQGGULDSQV-UHFFFAOYSA-N 1 0 453.436 4.371 20 0 JIADRO O=C(c1ccc2nnc(C(F)F)n2c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353992171 1068822134 /nfs/dbraw/zinc/82/21/34/1068822134.db2.gz MCZUPVFDIKOURF-UHFFFAOYSA-N 1 0 453.415 4.034 20 0 JIADRO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300476512 1068826444 /nfs/dbraw/zinc/82/64/44/1068826444.db2.gz ZFGBKUZBNSRLQI-LJQANCHMSA-N 1 0 454.644 4.354 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001300481305 1068835876 /nfs/dbraw/zinc/83/58/76/1068835876.db2.gz OFQHSJXXJDNQKU-RBUKOAKNSA-N 1 0 486.661 4.033 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(=O)NC1CCCCC1 ZINC001492567601 1068836688 /nfs/dbraw/zinc/83/66/88/1068836688.db2.gz JNAAJGRLTDQRRE-UHFFFAOYSA-N 1 0 452.647 4.013 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492567803 1068837573 /nfs/dbraw/zinc/83/75/73/1068837573.db2.gz GIZSVZXQFIZKEF-HXUWFJFHSA-N 1 0 470.662 4.429 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535052 1068845460 /nfs/dbraw/zinc/84/54/60/1068845460.db2.gz FMJPDVNCVZNKMF-NVXWUHKLSA-N 1 0 465.978 4.031 20 0 JIADRO COc1cc(NC(=S)N2CC[N@@H+]3C[C@H](Oc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535127 1068845966 /nfs/dbraw/zinc/84/59/66/1068845966.db2.gz IKAVBGONBFWKMM-FUHWJXTLSA-N 1 0 462.015 4.200 20 0 JIADRO COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCCc1nnc(C)s1 ZINC001300486242 1068846802 /nfs/dbraw/zinc/84/68/02/1068846802.db2.gz UEFVORJETBOPLP-UHFFFAOYSA-N 1 0 483.686 4.303 20 0 JIADRO COc1cc(NC(=S)N2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200539701 1068853767 /nfs/dbraw/zinc/85/37/67/1068853767.db2.gz HRBBKVQHJBNBND-HNNXBMFYSA-N 1 0 499.077 4.117 20 0 JIADRO COc1cc(NC(=S)N[C@@H]2CC[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200548797 1068868950 /nfs/dbraw/zinc/86/89/50/1068868950.db2.gz MVSMAXADQDSVJB-OAHLLOKOSA-N 1 0 499.077 4.117 20 0 JIADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001200549831 1068870527 /nfs/dbraw/zinc/87/05/27/1068870527.db2.gz RDTYEWNSKFBTFP-QGZVFWFLSA-N 1 0 457.880 4.169 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001492568496 1068878646 /nfs/dbraw/zinc/87/86/46/1068878646.db2.gz PFVISHCMXJEGQX-UHFFFAOYSA-N 1 0 466.674 4.214 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001300508378 1068883394 /nfs/dbraw/zinc/88/33/94/1068883394.db2.gz XNLUXPOENUXGGX-UHFFFAOYSA-N 1 0 468.671 4.481 20 0 JIADRO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300519713 1068907232 /nfs/dbraw/zinc/90/72/32/1068907232.db2.gz FGVBODYJQPDUBO-RTWAWAEBSA-N 1 0 498.672 4.178 20 0 JIADRO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300520144 1068909796 /nfs/dbraw/zinc/90/97/96/1068909796.db2.gz XXOWKFIGGAZIPV-IEBWSBKVSA-N 1 0 455.628 4.322 20 0 JIADRO CC(C)(C)OC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@H]2CNC(=S)NCc2ccco2)CC1 ZINC001200570316 1068915071 /nfs/dbraw/zinc/91/50/71/1068915071.db2.gz DOKPVYWIIYQHAE-QFIPXVFZSA-N 1 0 498.693 4.393 20 0 JIADRO COc1ccccc1[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300523124 1068919565 /nfs/dbraw/zinc/91/95/65/1068919565.db2.gz DYESESSLLUJRJA-JTHBVZDNSA-N 1 0 469.674 4.454 20 0 JIADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001200572798 1068923873 /nfs/dbraw/zinc/92/38/73/1068923873.db2.gz RXNUIDUYNTUTOM-LJQANCHMSA-N 1 0 452.437 4.403 20 0 JIADRO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001354143127 1068929603 /nfs/dbraw/zinc/92/96/03/1068929603.db2.gz IOGQMPRFURXZGM-ZJSXRUAMSA-N 1 0 467.610 4.291 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300529845 1068938994 /nfs/dbraw/zinc/93/89/94/1068938994.db2.gz LWFSKPSVXXHGEZ-WPFOTENUSA-N 1 0 469.674 4.370 20 0 JIADRO COc1ccccc1C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300531645 1068945409 /nfs/dbraw/zinc/94/54/09/1068945409.db2.gz YJKAUMZKLIBDIU-UEOMBKFZSA-N 1 0 499.700 4.484 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300536608 1068957815 /nfs/dbraw/zinc/95/78/15/1068957815.db2.gz RDCOTDTTWYMYQP-RTBURBONSA-N 1 0 496.656 4.007 20 0 JIADRO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200587650 1068963542 /nfs/dbraw/zinc/96/35/42/1068963542.db2.gz ZZUBMTMZLORRNH-MRXNPFEDSA-N 1 0 457.015 4.097 20 0 JIADRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000849205467 1068963797 /nfs/dbraw/zinc/96/37/97/1068963797.db2.gz FMOPAQNFXFFMML-YWEHKCAJSA-N 1 0 493.648 4.487 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300540190 1068969591 /nfs/dbraw/zinc/96/95/91/1068969591.db2.gz SKWVXEDBJRDNHQ-FYYLOGMGSA-N 1 0 455.647 4.005 20 0 JIADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492569464 1068972466 /nfs/dbraw/zinc/97/24/66/1068972466.db2.gz YFZYULGAENYQAH-ISKFKSNPSA-N 1 0 466.674 4.067 20 0 JIADRO COc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300541724 1068974189 /nfs/dbraw/zinc/97/41/89/1068974189.db2.gz BNTLCMGNXCMSNN-HXUWFJFHSA-N 1 0 468.671 4.133 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300546866 1068986430 /nfs/dbraw/zinc/98/64/30/1068986430.db2.gz GZFQRCRRGALDPM-NQIIRXRSSA-N 1 0 483.579 4.152 20 0 JIADRO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300549473 1068994867 /nfs/dbraw/zinc/99/48/67/1068994867.db2.gz XWUKBERGEUDTFQ-BGYRXZFFSA-N 1 0 457.688 4.472 20 0 JIADRO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCCC1 ZINC001300550099 1068996410 /nfs/dbraw/zinc/99/64/10/1068996410.db2.gz IAVJTYPDYBQILN-LJQANCHMSA-N 1 0 451.558 4.098 20 0 JIADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCc1nccs1 ZINC001492570353 1069001317 /nfs/dbraw/zinc/00/13/17/1069001317.db2.gz XCUZJLMZTKWVSF-UHFFFAOYSA-N 1 0 494.587 4.044 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCC(C(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300552695 1069003936 /nfs/dbraw/zinc/00/39/36/1069003936.db2.gz TVSRZBIVQGQOAN-QFIPXVFZSA-N 1 0 469.674 4.251 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001492587069 1069018733 /nfs/dbraw/zinc/01/87/33/1069018733.db2.gz CYIILLPAWNJCHL-FQEVSTJZSA-N 1 0 478.607 4.125 20 0 JIADRO Cc1noc(C)c1Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492587549 1069025647 /nfs/dbraw/zinc/02/56/47/1069025647.db2.gz USECXOLOCGKEOD-UHFFFAOYSA-N 1 0 450.631 4.389 20 0 JIADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCSCC(F)(F)F ZINC001492588406 1069033962 /nfs/dbraw/zinc/03/39/62/1069033962.db2.gz QDUFTBQUDHRXLG-IBGZPJMESA-N 1 0 453.578 4.147 20 0 JIADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492571595 1069038768 /nfs/dbraw/zinc/03/87/68/1069038768.db2.gz DBBZEGDUWQDODX-SVFBPWRDSA-N 1 0 465.564 4.245 20 0 JIADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001300563909 1069043975 /nfs/dbraw/zinc/04/39/75/1069043975.db2.gz NHHXZSIJEQNYEA-DHIUTWEWSA-N 1 0 459.606 4.299 20 0 JIADRO Cc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001492572823 1069046162 /nfs/dbraw/zinc/04/61/62/1069046162.db2.gz JAKZGFTUXNAMMV-LADGPHEKSA-N 1 0 480.701 4.112 20 0 JIADRO COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481035 1069049399 /nfs/dbraw/zinc/04/93/99/1069049399.db2.gz IZKNRYQKBNKDAJ-LOSJGSFVSA-N 1 0 475.593 4.134 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849485954 1069052904 /nfs/dbraw/zinc/05/29/04/1069052904.db2.gz ZDSFXLBAOYCPTH-SESVDKBCSA-N 1 0 451.640 4.250 20 0 JIADRO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccc(OC)cc2)cc1 ZINC000849487950 1069054651 /nfs/dbraw/zinc/05/46/51/1069054651.db2.gz QHHGETSSVNDYAN-PKTNWEFCSA-N 1 0 490.648 4.351 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@H](c2cnn(C)c2)C1 ZINC000849490821 1069058528 /nfs/dbraw/zinc/05/85/28/1069058528.db2.gz PULAYBHYCGLILL-PMACEKPBSA-N 1 0 463.607 4.420 20 0 JIADRO COc1ccc(-c2nc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490681 1069058534 /nfs/dbraw/zinc/05/85/34/1069058534.db2.gz WCCDLXGQODWDPV-LEWJYISDSA-N 1 0 453.612 4.313 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849491537 1069060560 /nfs/dbraw/zinc/06/05/60/1069060560.db2.gz YXFBKLFNQVMCKY-LOSJGSFVSA-N 1 0 450.558 4.482 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493414 1069061601 /nfs/dbraw/zinc/06/16/01/1069061601.db2.gz WWOVERPFKLIAAE-VQTJNVASSA-N 1 0 463.548 4.492 20 0 JIADRO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493048 1069061659 /nfs/dbraw/zinc/06/16/59/1069061659.db2.gz ZINDZMOEHUCFMS-IFMALSPDSA-N 1 0 470.520 4.371 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849493644 1069064780 /nfs/dbraw/zinc/06/47/80/1069064780.db2.gz YIDMRYDXVKCRPE-WUFINQPMSA-N 1 0 496.659 4.462 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495394 1069065897 /nfs/dbraw/zinc/06/58/97/1069065897.db2.gz CKKGXWQULIXXTD-GGAORHGYSA-N 1 0 498.096 4.182 20 0 JIADRO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849496358 1069067697 /nfs/dbraw/zinc/06/76/97/1069067697.db2.gz JWTFCLJFMIICHV-FPOVZHCZSA-N 1 0 460.022 4.008 20 0 JIADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849498931 1069069670 /nfs/dbraw/zinc/06/96/70/1069069670.db2.gz VDRDTIIIRJMKMZ-VQTJNVASSA-N 1 0 465.411 4.184 20 0 JIADRO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849498580 1069070488 /nfs/dbraw/zinc/07/04/88/1069070488.db2.gz SDPLWJSSJGCWSE-UPVQGACJSA-N 1 0 459.594 4.433 20 0 JIADRO COc1cccc(Cc2nnc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)s2)c1 ZINC000504146924 1069070874 /nfs/dbraw/zinc/07/08/74/1069070874.db2.gz MQRSOJDNSYEQPH-OAQYLSRUSA-N 1 0 451.596 4.405 20 0 JIADRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502289 1069073928 /nfs/dbraw/zinc/07/39/28/1069073928.db2.gz ZPQABPQRQFELMZ-PKTZIBPZSA-N 1 0 475.641 4.166 20 0 JIADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001492574166 1069074158 /nfs/dbraw/zinc/07/41/58/1069074158.db2.gz MKAJGYVICPGPBW-LSYYVWMOSA-N 1 0 499.700 4.324 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849502324 1069074660 /nfs/dbraw/zinc/07/46/60/1069074660.db2.gz PVRRWKHHWOHNAH-WOJBJXKFSA-N 1 0 470.511 4.290 20 0 JIADRO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4CC[N@@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502178 1069074680 /nfs/dbraw/zinc/07/46/80/1069074680.db2.gz ZCRRYFOJUDGIJH-RCZVLFRGSA-N 1 0 461.610 4.040 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849502322 1069074810 /nfs/dbraw/zinc/07/48/10/1069074810.db2.gz PVRRWKHHWOHNAH-VQTJNVASSA-N 1 0 470.511 4.290 20 0 JIADRO COc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502770 1069076762 /nfs/dbraw/zinc/07/67/62/1069076762.db2.gz SHDGIVIOUCSEIE-UXHICEINSA-N 1 0 471.602 4.228 20 0 JIADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001492574507 1069080267 /nfs/dbraw/zinc/08/02/67/1069080267.db2.gz UDYFNPWPXSFFAJ-DEOSSOPVSA-N 1 0 494.728 4.430 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849504352 1069080428 /nfs/dbraw/zinc/08/04/28/1069080428.db2.gz OQQBZYTVOTZNSY-JWQCQUIFSA-N 1 0 457.622 4.435 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849504353 1069080516 /nfs/dbraw/zinc/08/05/16/1069080516.db2.gz OQQBZYTVOTZNSY-LOSJGSFVSA-N 1 0 457.622 4.435 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503803 1069082380 /nfs/dbraw/zinc/08/23/80/1069082380.db2.gz LGUNPPYKTWRHNG-AZUAARDMSA-N 1 0 499.974 4.148 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504031 1069082452 /nfs/dbraw/zinc/08/24/52/1069082452.db2.gz BBYDIYSFKKDHGE-UPVQGACJSA-N 1 0 465.642 4.277 20 0 JIADRO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1F ZINC000849503898 1069082480 /nfs/dbraw/zinc/08/24/80/1069082480.db2.gz MWSWWVCLRJMETM-SFTDATJTSA-N 1 0 455.603 4.368 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504687 1069084293 /nfs/dbraw/zinc/08/42/93/1069084293.db2.gz PPXZJMWUTHVEIM-BJKOFHAPSA-N 1 0 463.557 4.264 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507916 1069089987 /nfs/dbraw/zinc/08/99/87/1069089987.db2.gz RSAMHBCGZQCDED-ZEQRLZLVSA-N 1 0 452.549 4.418 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511125 1069094400 /nfs/dbraw/zinc/09/44/00/1069094400.db2.gz NYRBPGSVZKRBSM-NHCUHLMSSA-N 1 0 472.420 4.386 20 0 JIADRO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300574605 1069094744 /nfs/dbraw/zinc/09/47/44/1069094744.db2.gz ZQJHIXFRHDSTIE-GOTSBHOMSA-N 1 0 469.674 4.249 20 0 JIADRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849512213 1069095571 /nfs/dbraw/zinc/09/55/71/1069095571.db2.gz BIJFNJDFTNQVGG-MZBJOSPHSA-N 1 0 460.622 4.124 20 0 JIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001354309525 1069096308 /nfs/dbraw/zinc/09/63/08/1069096308.db2.gz TYRJTGFHQBYVIF-HSZRJFAPSA-N 1 0 452.599 4.108 20 0 JIADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849512473 1069096380 /nfs/dbraw/zinc/09/63/80/1069096380.db2.gz FVYDPECMFFQANQ-ROUUACIJSA-N 1 0 470.599 4.051 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515583 1069102480 /nfs/dbraw/zinc/10/24/80/1069102480.db2.gz MFACATKPMFTGSO-PMACEKPBSA-N 1 0 464.591 4.017 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516675 1069104349 /nfs/dbraw/zinc/10/43/49/1069104349.db2.gz LURGGZKJGWYBKW-PKTZIBPZSA-N 1 0 456.594 4.426 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518290 1069104963 /nfs/dbraw/zinc/10/49/63/1069104963.db2.gz GNDFPMIJOOYJNF-URLMMPGGSA-N 1 0 496.659 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518292 1069105110 /nfs/dbraw/zinc/10/51/10/1069105110.db2.gz GNDFPMIJOOYJNF-WDYNHAJCSA-N 1 0 496.659 4.462 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517967 1069105997 /nfs/dbraw/zinc/10/59/97/1069105997.db2.gz GEDVZKIDNVENAC-RPWUZVMVSA-N 1 0 464.541 4.231 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518717 1069109870 /nfs/dbraw/zinc/10/98/70/1069109870.db2.gz OVBDJBYOZHUJSR-LEWJYISDSA-N 1 0 451.596 4.187 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518616 1069110137 /nfs/dbraw/zinc/11/01/37/1069110137.db2.gz SBVGNCRSBXCBML-FQLXRVMXSA-N 1 0 496.659 4.462 20 0 JIADRO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849519580 1069112848 /nfs/dbraw/zinc/11/28/48/1069112848.db2.gz KIAGFXSRVPNMIF-UBFVSLLYSA-N 1 0 460.626 4.303 20 0 JIADRO CC[C@@H](c1nnc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521522 1069115761 /nfs/dbraw/zinc/11/57/61/1069115761.db2.gz FERBWRMNWBYQKZ-HKBOAZHASA-N 1 0 452.628 4.266 20 0 JIADRO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849524894 1069118191 /nfs/dbraw/zinc/11/81/91/1069118191.db2.gz KOXXWQMBKSGMMK-ISKFKSNPSA-N 1 0 476.577 4.452 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526065 1069123337 /nfs/dbraw/zinc/12/33/37/1069123337.db2.gz UEUHWZXAOZYVHM-CTNGQTDRSA-N 1 0 490.583 4.218 20 0 JIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1 ZINC000849531151 1069136058 /nfs/dbraw/zinc/13/60/58/1069136058.db2.gz BGLOGJVTGBFXCF-RUZDIDTESA-N 1 0 468.642 4.254 20 0 JIADRO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534386 1069142897 /nfs/dbraw/zinc/14/28/97/1069142897.db2.gz IFWUHPVOQUCBLT-DZFGPLHGSA-N 1 0 451.442 4.393 20 0 JIADRO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC23CCOCC3)cn1 ZINC000849534891 1069149333 /nfs/dbraw/zinc/14/93/33/1069149333.db2.gz LTCAJFUGCITNMJ-RCZVLFRGSA-N 1 0 468.617 4.271 20 0 JIADRO COc1ccccc1CN(CCO)c1nnc(C(C)(C)C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300599283 1069182528 /nfs/dbraw/zinc/18/25/28/1069182528.db2.gz GUYPEZIAGVPDSF-RXFWQSSRSA-N 1 0 457.663 4.094 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849547163 1069183814 /nfs/dbraw/zinc/18/38/14/1069183814.db2.gz FVTQMRCKSYVAEN-GOTSBHOMSA-N 1 0 481.641 4.166 20 0 JIADRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548939 1069188267 /nfs/dbraw/zinc/18/82/67/1069188267.db2.gz QNIPAPAUXSDIDJ-XZOQPEGZSA-N 1 0 481.641 4.400 20 0 JIADRO COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849554152 1069197125 /nfs/dbraw/zinc/19/71/25/1069197125.db2.gz UYLBDLJIHAVNQH-FCHUYYIVSA-N 1 0 454.546 4.208 20 0 JIADRO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553822 1069198506 /nfs/dbraw/zinc/19/85/06/1069198506.db2.gz TUJHGNAHGLJINP-BKULYWANSA-N 1 0 452.986 4.023 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849554891 1069201328 /nfs/dbraw/zinc/20/13/28/1069201328.db2.gz WQNNQEYWPAGENC-GOTSBHOMSA-N 1 0 499.457 4.074 20 0 JIADRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)CCO2 ZINC000849557321 1069203155 /nfs/dbraw/zinc/20/31/55/1069203155.db2.gz YZVJMXKXZXNKNB-DMTNHVFBSA-N 1 0 474.605 4.017 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@H](c2cnn(C)c2)C1 ZINC000849557058 1069203459 /nfs/dbraw/zinc/20/34/59/1069203459.db2.gz YGUZBAFLMQIJLL-PKTZIBPZSA-N 1 0 487.689 4.016 20 0 JIADRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)CCO2 ZINC000849557323 1069203606 /nfs/dbraw/zinc/20/36/06/1069203606.db2.gz YZVJMXKXZXNKNB-SKBVVQJISA-N 1 0 474.605 4.017 20 0 JIADRO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C[C@H](C)O2 ZINC000849556878 1069204336 /nfs/dbraw/zinc/20/43/36/1069204336.db2.gz DWPIEIMQJSUDSD-QXAKKESOSA-N 1 0 475.431 4.119 20 0 JIADRO CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849562909 1069212891 /nfs/dbraw/zinc/21/28/91/1069212891.db2.gz HLCWGLZOOGGBJM-RTBURBONSA-N 1 0 463.420 4.422 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849566239 1069215430 /nfs/dbraw/zinc/21/54/30/1069215430.db2.gz ZRMIPQCFRLHFLU-OALUTQOASA-N 1 0 467.839 4.009 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564626 1069215757 /nfs/dbraw/zinc/21/57/57/1069215757.db2.gz VUZYQWAIBYCOGS-YTFSRNRJSA-N 1 0 485.401 4.263 20 0 JIADRO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300610868 1069217271 /nfs/dbraw/zinc/21/72/71/1069217271.db2.gz UXXISMWITGGVMX-JOCHJYFZSA-N 1 0 468.690 4.027 20 0 JIADRO COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569037 1069220061 /nfs/dbraw/zinc/22/00/61/1069220061.db2.gz RGPKGUQOLCOYJU-KAYWLYCHSA-N 1 0 476.621 4.394 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849571872 1069223974 /nfs/dbraw/zinc/22/39/74/1069223974.db2.gz LUJBFJRCHRKXFF-QZTJIDSGSA-N 1 0 461.397 4.365 20 0 JIADRO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849573352 1069224494 /nfs/dbraw/zinc/22/44/94/1069224494.db2.gz SBUSSNLODZURBP-PZJWPPBQSA-N 1 0 485.032 4.375 20 0 JIADRO COc1ccccc1N1CCN(c2nnc(C(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300614875 1069227597 /nfs/dbraw/zinc/22/75/97/1069227597.db2.gz BWAQCYSTAUPBOE-SZPZYZBQSA-N 1 0 454.663 4.105 20 0 JIADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849574812 1069228549 /nfs/dbraw/zinc/22/85/49/1069228549.db2.gz AFTQRTYGVWIDEK-BHIFYINESA-N 1 0 475.475 4.476 20 0 JIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849577736 1069229638 /nfs/dbraw/zinc/22/96/38/1069229638.db2.gz SKIVLSVHIIKOHB-SVBPBHIXSA-N 1 0 460.622 4.473 20 0 JIADRO CC(C)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578892 1069230938 /nfs/dbraw/zinc/23/09/38/1069230938.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 1 0 490.067 4.367 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579615 1069231871 /nfs/dbraw/zinc/23/18/71/1069231871.db2.gz XQWOWMHFZCSYFH-PCCBWWKXSA-N 1 0 463.395 4.015 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849582301 1069233088 /nfs/dbraw/zinc/23/30/88/1069233088.db2.gz MGHYXOQLOKMLPT-ROUUACIJSA-N 1 0 450.568 4.137 20 0 JIADRO CCc1c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581599 1069233113 /nfs/dbraw/zinc/23/31/13/1069233113.db2.gz IAQQMOWKJNKTAE-OALUTQOASA-N 1 0 455.006 4.274 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849584159 1069234675 /nfs/dbraw/zinc/23/46/75/1069234675.db2.gz XKVMULRZYCDBSH-VQTJNVASSA-N 1 0 452.521 4.184 20 0 JIADRO COc1ccccc1O[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300618729 1069236614 /nfs/dbraw/zinc/23/66/14/1069236614.db2.gz DULKUMHQRAWDDA-LJQANCHMSA-N 1 0 485.032 4.248 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849587284 1069238026 /nfs/dbraw/zinc/23/80/26/1069238026.db2.gz SIJVECUAGHOXLI-JQVVWYNYSA-N 1 0 477.422 4.499 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586762 1069238796 /nfs/dbraw/zinc/23/87/96/1069238796.db2.gz FWQFZECKMXQUGU-VSGBNLITSA-N 1 0 486.660 4.411 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849589247 1069240234 /nfs/dbraw/zinc/24/02/34/1069240234.db2.gz WFFSKTFTTWDWDG-WMZOPIPTSA-N 1 0 456.388 4.183 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849589244 1069240329 /nfs/dbraw/zinc/24/03/29/1069240329.db2.gz WFFSKTFTTWDWDG-AEFFLSMTSA-N 1 0 456.388 4.183 20 0 JIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC001354467186 1069241496 /nfs/dbraw/zinc/24/14/96/1069241496.db2.gz HYEJSMDYDGJJSI-UHFFFAOYSA-N 1 0 450.583 4.456 20 0 JIADRO COc1ccccc1OC[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300620349 1069242250 /nfs/dbraw/zinc/24/22/50/1069242250.db2.gz DXWWDXBDNPTYPN-IBGZPJMESA-N 1 0 453.587 4.101 20 0 JIADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC001492576311 1069242462 /nfs/dbraw/zinc/24/24/62/1069242462.db2.gz OAPMTAAJYIMHCT-DCFHFQCYSA-N 1 0 463.674 4.366 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590862 1069242981 /nfs/dbraw/zinc/24/29/81/1069242981.db2.gz ANBWYZHTCCPCNM-KYNGSXCRSA-N 1 0 451.384 4.013 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590863 1069243042 /nfs/dbraw/zinc/24/30/42/1069243042.db2.gz ANBWYZHTCCPCNM-MDASCCDHSA-N 1 0 451.384 4.013 20 0 JIADRO Cc1cc(C(C)(C)NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849595104 1069246885 /nfs/dbraw/zinc/24/68/85/1069246885.db2.gz IOBPDBVGLJYKHL-UXHICEINSA-N 1 0 461.448 4.356 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849594595 1069247750 /nfs/dbraw/zinc/24/77/50/1069247750.db2.gz FJEDAKRAWFNNMX-DHIUTWEWSA-N 1 0 458.050 4.015 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849595547 1069247816 /nfs/dbraw/zinc/24/78/16/1069247816.db2.gz YHONFLZPJBWGDG-RPWUZVMVSA-N 1 0 495.668 4.238 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001300622810 1069248788 /nfs/dbraw/zinc/24/87/88/1069248788.db2.gz MHGVFOMDPMXNCG-GGAORHGYSA-N 1 0 455.647 4.403 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595948 1069250311 /nfs/dbraw/zinc/25/03/11/1069250311.db2.gz MKAZILSXKIORSB-GVAUOCQISA-N 1 0 467.013 4.183 20 0 JIADRO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000849597487 1069250633 /nfs/dbraw/zinc/25/06/33/1069250633.db2.gz SVTXPLLCDCOVAA-QTLGCAHFSA-N 1 0 468.642 4.079 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849597355 1069251765 /nfs/dbraw/zinc/25/17/65/1069251765.db2.gz SNSHPJCRCBUWHC-OALUTQOASA-N 1 0 478.494 4.216 20 0 JIADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849599142 1069255387 /nfs/dbraw/zinc/25/53/87/1069255387.db2.gz LAZHPSPXZNTZDD-PKTZIBPZSA-N 1 0 467.614 4.123 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849600323 1069255874 /nfs/dbraw/zinc/25/58/74/1069255874.db2.gz PXZQRYNBWZDAPY-BVYCBKJFSA-N 1 0 459.432 4.013 20 0 JIADRO COc1ccccc1OC[C@H](C)Cn1c(CC(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300625184 1069255938 /nfs/dbraw/zinc/25/59/38/1069255938.db2.gz DHYNIILWTOKLCC-FGZHOGPDSA-N 1 0 455.647 4.265 20 0 JIADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602356 1069257904 /nfs/dbraw/zinc/25/79/04/1069257904.db2.gz MSAPIYHFWDNVDX-NHCUHLMSSA-N 1 0 460.607 4.067 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849601304 1069258071 /nfs/dbraw/zinc/25/80/71/1069258071.db2.gz JGJJYDIUVWPXAK-SVBPBHIXSA-N 1 0 456.634 4.257 20 0 JIADRO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603150 1069259182 /nfs/dbraw/zinc/25/91/82/1069259182.db2.gz CKRGNSZZARXBBL-FCHUYYIVSA-N 1 0 450.549 4.344 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849604444 1069261809 /nfs/dbraw/zinc/26/18/09/1069261809.db2.gz XGINUJQZISGKAN-FUHWJXTLSA-N 1 0 456.388 4.183 20 0 JIADRO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300627599 1069264668 /nfs/dbraw/zinc/26/46/68/1069264668.db2.gz KZFFDQIYTQGSQS-KRWDZBQOSA-N 1 0 455.525 4.129 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)C[C@@H]2CCOC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492576697 1069267492 /nfs/dbraw/zinc/26/74/92/1069267492.db2.gz BHCOAZZNRDFJJP-AKFKNWHVSA-N 1 0 453.675 4.408 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000849609804 1069267417 /nfs/dbraw/zinc/26/74/17/1069267417.db2.gz ZDKMHOAGDGCNLV-UXHICEINSA-N 1 0 474.487 4.131 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611573 1069272791 /nfs/dbraw/zinc/27/27/91/1069272791.db2.gz CPACHQZSULSDSP-IRXDYDNUSA-N 1 0 480.922 4.167 20 0 JIADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cn1 ZINC000849611745 1069272890 /nfs/dbraw/zinc/27/28/90/1069272890.db2.gz ABAXQSWOWHSXAD-HIFRSBDPSA-N 1 0 462.779 4.058 20 0 JIADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612650 1069275675 /nfs/dbraw/zinc/27/56/75/1069275675.db2.gz MPXGSUUVRGPWNW-OALUTQOASA-N 1 0 459.497 4.129 20 0 JIADRO Cc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492577795 1069286526 /nfs/dbraw/zinc/28/65/26/1069286526.db2.gz WYAZVVXFEXWCBT-UHFFFAOYSA-N 1 0 452.672 4.435 20 0 JIADRO COc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300637906 1069295945 /nfs/dbraw/zinc/29/59/45/1069295945.db2.gz DBBKGZPGWCXNMQ-ZFGGDYGUSA-N 1 0 499.700 4.483 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164617498 719009304 /nfs/dbraw/zinc/00/93/04/719009304.db2.gz OKKYBVQVIAKQRD-FOIQADDNSA-N 1 0 459.990 4.151 20 0 JIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164617539 719010464 /nfs/dbraw/zinc/01/04/64/719010464.db2.gz OLSQKMRPIZDUGZ-YKSBVNFPSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164619890 719011451 /nfs/dbraw/zinc/01/14/51/719011451.db2.gz XKFRBXOESIKFBS-GBXCKJPGSA-N 1 0 490.982 4.491 20 0 JIADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001164615986 719020223 /nfs/dbraw/zinc/02/02/23/719020223.db2.gz KGKSLQIRJUTLAH-JEBQAFNWSA-N 1 0 456.320 4.330 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC2)CC1 ZINC001164614891 719023544 /nfs/dbraw/zinc/02/35/44/719023544.db2.gz ZUTITZMBJQSCIA-UHFFFAOYSA-N 1 0 458.962 4.134 20 0 JIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccccc3OC)CC2)CC1 ZINC001164618601 719035223 /nfs/dbraw/zinc/03/52/23/719035223.db2.gz VJHXGDJLAJIJPV-UHFFFAOYSA-N 1 0 474.989 4.175 20 0 JIADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164632120 719141229 /nfs/dbraw/zinc/14/12/29/719141229.db2.gz PDKQHRZGTJEEOG-VWLOTQADSA-N 1 0 462.638 4.155 20 0 JIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)CC1 ZINC001164666452 719443237 /nfs/dbraw/zinc/44/32/37/719443237.db2.gz CMAYNKQELQGTJI-MOPGFXCFSA-N 1 0 469.680 4.171 20 0 JIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681667 719655319 /nfs/dbraw/zinc/65/53/19/719655319.db2.gz PQUKRGDDPSEXHG-HXUWFJFHSA-N 1 0 499.055 4.005 20 0 JIADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164680757 719658679 /nfs/dbraw/zinc/65/86/79/719658679.db2.gz IQRHNEMQMQSSDN-LJQANCHMSA-N 1 0 499.055 4.005 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 ZINC001164680396 719660436 /nfs/dbraw/zinc/66/04/36/719660436.db2.gz GGGNWFCQRNMEDP-HSZRJFAPSA-N 1 0 469.633 4.237 20 0 JIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cc(C4CC4)n3)CC2)c2ccccc21 ZINC001164682031 719669798 /nfs/dbraw/zinc/66/97/98/719669798.db2.gz OXBMCYFFKFOUKH-LJQANCHMSA-N 1 0 468.045 4.101 20 0 JIADRO COc1cccc(-c2ccnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n2)c1 ZINC001164686852 719674019 /nfs/dbraw/zinc/67/40/19/719674019.db2.gz XXKZAQUIFGQUSQ-HSZRJFAPSA-N 1 0 499.659 4.246 20 0 JIADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)(C)C)n1 ZINC001164686845 719678515 /nfs/dbraw/zinc/67/85/15/719678515.db2.gz XRSILDILUGFSDU-OAQYLSRUSA-N 1 0 463.670 4.176 20 0 JIADRO CCc1nc2sccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684500 719680660 /nfs/dbraw/zinc/68/06/60/719680660.db2.gz IYHUUYHTAMHSFD-IBGZPJMESA-N 1 0 477.678 4.347 20 0 JIADRO COc1cc2ccnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2cc1F ZINC001164686574 719683476 /nfs/dbraw/zinc/68/34/76/719683476.db2.gz OVSVUSHPSQTESD-NRFANRHFSA-N 1 0 490.623 4.476 20 0 JIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)CC2 ZINC001164692855 719757268 /nfs/dbraw/zinc/75/72/68/719757268.db2.gz WDGNTFRTWGRYRF-UHFFFAOYSA-N 1 0 462.972 4.436 20 0 JIADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692138 719760524 /nfs/dbraw/zinc/76/05/24/719760524.db2.gz RZVVYGABILZVRJ-NIYFSFCBSA-N 1 0 496.656 4.487 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694399 719808388 /nfs/dbraw/zinc/80/83/88/719808388.db2.gz WYKOKMWQUHYAFU-UHFFFAOYSA-N 1 0 482.075 4.429 20 0 JIADRO COC(=O)c1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c2ccccc2c1OC ZINC001164692296 719815295 /nfs/dbraw/zinc/81/52/95/719815295.db2.gz PGRGXHJRPCUSLZ-UHFFFAOYSA-N 1 0 466.607 4.430 20 0 JIADRO O=C1COC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)CN1c1ccccc1 ZINC001164696393 719836146 /nfs/dbraw/zinc/83/61/46/719836146.db2.gz SVDOLINVGAZKBD-UHFFFAOYSA-N 1 0 468.601 4.042 20 0 JIADRO Cn1cnc2c1cc(C1CCN(c3ncccc3C[NH+]3CCCC3)CC1)nc2-c1cccnc1 ZINC001164698429 719881423 /nfs/dbraw/zinc/88/14/23/719881423.db2.gz FPAYAQKTMHTANK-UHFFFAOYSA-N 1 0 453.594 4.405 20 0 JIADRO COc1cc2nc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164698186 719892803 /nfs/dbraw/zinc/89/28/03/719892803.db2.gz PKQSXZWQXQBFQI-UHFFFAOYSA-N 1 0 475.014 4.233 20 0 JIADRO CCOc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OCC ZINC001164698184 719892948 /nfs/dbraw/zinc/89/29/48/719892948.db2.gz PJZISPXUFPQRHI-UHFFFAOYSA-N 1 0 468.623 4.360 20 0 JIADRO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707330 719898815 /nfs/dbraw/zinc/89/88/15/719898815.db2.gz PMIXSXSSBXBENG-UHFFFAOYSA-N 1 0 475.058 4.340 20 0 JIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164719456 720109727 /nfs/dbraw/zinc/10/97/27/720109727.db2.gz XEIMYQYVEZCXJL-FQEVSTJZSA-N 1 0 473.017 4.123 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164717382 720118681 /nfs/dbraw/zinc/11/86/81/720118681.db2.gz ODJDJUHBRSJNBA-FQEVSTJZSA-N 1 0 452.002 4.494 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164715488 720121602 /nfs/dbraw/zinc/12/16/02/720121602.db2.gz GELIVBLNDKDZMD-IBGZPJMESA-N 1 0 468.001 4.194 20 0 JIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164714930 720126751 /nfs/dbraw/zinc/12/67/51/720126751.db2.gz FOPHEESJAAQESV-HXUWFJFHSA-N 1 0 498.990 4.359 20 0 JIADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164710543 720148354 /nfs/dbraw/zinc/14/83/54/720148354.db2.gz CEYAVDQUXVGEAK-DEOSSOPVSA-N 1 0 473.621 4.445 20 0 JIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164713876 720155185 /nfs/dbraw/zinc/15/51/85/720155185.db2.gz TXISPUYTCMBBCR-SFHVURJKSA-N 1 0 452.933 4.062 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815654 720170556 /nfs/dbraw/zinc/17/05/56/720170556.db2.gz ISDFARGWWSPNBS-LYZGTLIUSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815660 720170950 /nfs/dbraw/zinc/17/09/50/720170950.db2.gz ISDFARGWWSPNBS-RBTNQOKQSA-N 1 0 495.737 4.351 20 0 JIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814337 720186060 /nfs/dbraw/zinc/18/60/60/720186060.db2.gz FUEORNBIHMUDQF-YADARESESA-N 1 0 451.596 4.045 20 0 JIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(OC)c1)C2 ZINC001164815490 720198840 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/nfs/dbraw/zinc/23/70/07/720237007.db2.gz SMZMSGCKZMNTHX-UHFFFAOYSA-N 1 0 472.568 4.243 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CCC2 ZINC001164814473 720238710 /nfs/dbraw/zinc/23/87/10/720238710.db2.gz ULLXHRGRGXRCCN-UHFFFAOYSA-N 1 0 494.999 4.211 20 0 JIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CCC2 ZINC001164815659 720243351 /nfs/dbraw/zinc/24/33/51/720243351.db2.gz DBPIPTXXWHESLO-UHFFFAOYSA-N 1 0 491.398 4.397 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164825214 720306079 /nfs/dbraw/zinc/30/60/79/720306079.db2.gz STYNILUQDQWCRL-RBUKOAKNSA-N 1 0 467.664 4.331 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001164823792 720310924 /nfs/dbraw/zinc/31/09/24/720310924.db2.gz PWVCMQCFOVMGME-RTBURBONSA-N 1 0 498.405 4.393 20 0 JIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164823837 720313261 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C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccc(Cl)nn3)ccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164799318 721583800 /nfs/dbraw/zinc/58/38/00/721583800.db2.gz AREHFVRKASNTJU-KIFXHHALSA-N 1 0 453.949 4.199 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810146 721592229 /nfs/dbraw/zinc/59/22/29/721592229.db2.gz UPNRCTGWYNKRPY-QTEQDKRBSA-N 1 0 456.949 4.299 20 0 JIADRO O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164803744 721605634 /nfs/dbraw/zinc/60/56/34/721605634.db2.gz VVBZVOCFNNVRQX-DEOSSOPVSA-N 1 0 453.974 4.085 20 0 JIADRO FC1(F)CCN(c2nc(Cl)nc(-c3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904060 721697635 /nfs/dbraw/zinc/69/76/35/721697635.db2.gz CUGSJAOITDSPLV-JOCHJYFZSA-N 1 0 456.928 4.325 20 0 JIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904202 721709537 /nfs/dbraw/zinc/70/95/37/721709537.db2.gz APIUJZHAMVLBPT-JOCHJYFZSA-N 1 0 464.944 4.353 20 0 JIADRO Cc1nc(-c2ccccn2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C ZINC001164913558 721730217 /nfs/dbraw/zinc/73/02/17/721730217.db2.gz WZGQFGHHSNGWHX-XMMPIXPASA-N 1 0 450.537 4.288 20 0 JIADRO O=C1N(c2cccnc2)CC[C@@]12CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H]2c1ccccc1 ZINC001164913129 721742082 /nfs/dbraw/zinc/74/20/82/721742082.db2.gz UCPJORIVJXHDCM-LSYYVWMOSA-N 1 0 453.590 4.100 20 0 JIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1 ZINC001165012561 721754533 /nfs/dbraw/zinc/75/45/33/721754533.db2.gz FDFKBPYUBSVTCF-CWTOASCOSA-N 1 0 491.680 4.004 20 0 JIADRO FC1(F)CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164916962 721802295 /nfs/dbraw/zinc/80/22/95/721802295.db2.gz TXAQEMGJADOXRR-AREMUKBSSA-N 1 0 476.575 4.172 20 0 JIADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028191 721802511 /nfs/dbraw/zinc/80/25/11/721802511.db2.gz ZAZRXSNARNAUSR-JLMWRMLUSA-N 1 0 465.985 4.202 20 0 JIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027797 721815401 /nfs/dbraw/zinc/81/54/01/721815401.db2.gz VYBNQVFJEYQZKO-NYVOZVTQSA-N 1 0 456.034 4.349 20 0 JIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)C[C@H]21 ZINC001165030468 721822147 /nfs/dbraw/zinc/82/21/47/721822147.db2.gz ZGHHJNUWVKZBII-FBBABVLZSA-N 1 0 477.613 4.437 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023346 721840771 /nfs/dbraw/zinc/84/07/71/721840771.db2.gz VEKYIWBELYEGMU-UHFFFAOYSA-N 1 0 495.045 4.147 20 0 JIADRO COc1cccc(Oc2cncc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)n2)c1 ZINC001165021994 721842454 /nfs/dbraw/zinc/84/24/54/721842454.db2.gz LNVMVMHQLQITTP-UHFFFAOYSA-N 1 0 464.566 4.396 20 0 JIADRO COC(=O)c1cc2c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)[nH]c(Cl)cc-2n1 ZINC001165021997 721842544 /nfs/dbraw/zinc/84/25/44/721842544.db2.gz LRBMRJJRFWFKBU-UHFFFAOYSA-N 1 0 472.973 4.121 20 0 JIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)[C@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001165021240 721844143 /nfs/dbraw/zinc/84/41/43/721844143.db2.gz JCIOCIVDPASUQD-JOCHJYFZSA-N 1 0 488.938 4.053 20 0 JIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)CC3)C2)cc1 ZINC001164939356 721922602 /nfs/dbraw/zinc/92/26/02/721922602.db2.gz JTBXXUARIHKJAG-UHFFFAOYSA-N 1 0 453.587 4.003 20 0 JIADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164946188 721965992 /nfs/dbraw/zinc/96/59/92/721965992.db2.gz MFZQISSNALNRSZ-JDXGNMNLSA-N 1 0 466.629 4.409 20 0 JIADRO COc1ccc(Cn2cc3[nH]c(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)ccc-3c2=O)cc1 ZINC001164955837 722021361 /nfs/dbraw/zinc/02/13/61/722021361.db2.gz ORCOKMMRPJZOBP-UHFFFAOYSA-N 1 0 483.616 4.134 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2c1C ZINC001164958051 722051414 /nfs/dbraw/zinc/05/14/14/722051414.db2.gz BCVRDDBIXMCMMF-YOSAUDMPSA-N 1 0 478.666 4.204 20 0 JIADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964727 722057114 /nfs/dbraw/zinc/05/71/14/722057114.db2.gz XIIAOLFSRWUCQJ-UHFFFAOYSA-N 1 0 473.955 4.342 20 0 JIADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962790 722062399 /nfs/dbraw/zinc/06/23/99/722062399.db2.gz ABYLOWLBIOLKSM-UHFFFAOYSA-N 1 0 496.011 4.445 20 0 JIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974322 722141915 /nfs/dbraw/zinc/14/19/15/722141915.db2.gz DGJZSOHSWUAQGX-PKTZIBPZSA-N 1 0 492.693 4.026 20 0 JIADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984241 722147223 /nfs/dbraw/zinc/14/72/23/722147223.db2.gz WTJRFAISVZOHJC-MBSDFSHPSA-N 1 0 453.949 4.058 20 0 JIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164976291 722154367 /nfs/dbraw/zinc/15/43/67/722154367.db2.gz WNNVMZGKMBTRTR-NFBKMPQASA-N 1 0 465.985 4.353 20 0 JIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974768 722154648 /nfs/dbraw/zinc/15/46/48/722154648.db2.gz PQVIZFYWORZVAE-NFBKMPQASA-N 1 0 465.985 4.353 20 0 JIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974781 722154675 /nfs/dbraw/zinc/15/46/75/722154675.db2.gz QDAVLSQLHVLSSM-REWPJTCUSA-N 1 0 465.985 4.353 20 0 JIADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977857 722158799 /nfs/dbraw/zinc/15/87/99/722158799.db2.gz YWXNSCJECPELDM-VGSWGCGISA-N 1 0 456.949 4.158 20 0 JIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997319 722199428 /nfs/dbraw/zinc/19/94/28/722199428.db2.gz ZHRSMQCZRJODMZ-JOCHJYFZSA-N 1 0 464.994 4.413 20 0 JIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)s1 ZINC001165003782 722257226 /nfs/dbraw/zinc/25/72/26/722257226.db2.gz HNSRWZDSKYFEDP-UHFFFAOYSA-N 1 0 462.623 4.352 20 0 JIADRO